| 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 | 46.2 | Very low | 63.9 | Low | 247 Ų | 247 | 120 Ų | 120 | 100% | 1.217 | 57% | 0.57 | S | S | * | * | 0 | 118.6 | 0 | -86.5 | 177.1 | 167.6 | 0 | 0 | 107.8 | |||||
| 2 | M | 65.3 | Low | 64.4 | Low | 135 Ų | 135 | 114.6 Ų | 114.6 | 67% | 0.665 | 54% | 0.543 | S | S | * | . | trans | -63.8 | 137.8 | 170.7 | -69 | 168.3 | 171.9 | 0 | 0 | 109.1 | E43 | M2-E43 WeakPolarHBondContact CE-OE2 3.14Š| ||
| 3 | R | 72.1 | Confident | 65.2 | Low | 214 Ų | 214 | 108.1 Ų | 108.1 | 81% | 0.808 | 51% | 0.51 | S | S | * | . | trans | -108.7 | 121.1 | -174.5 | -167.4 | 176.9 | -174.7 | 176.7 | 1.7 | 109.8 | I5 | R3-I5 PolarHBondContact O-N 3.45Š| ||
| 4 | W | 77.1 | Confident | 66.3 | Low | 86 Ų | 86 | 100.4 Ų | 100.4 | 33% | 0.326 | 47% | 0.474 | S | S | . | . | trans | -69.7 | 123.1 | 169.6 | -74.5 | 94.5 | 0 | 0 | 0 | 110.1 | R40 C42 W45 V59 | W4-R40 HydrophobicContact CE3-CB 3.7Å; W4-R40 HydrophobicContact CZ3-CB 4.4Å; W4-C42 HydrophobicContact CD2-CB 3.65Å; W4-C42 HydrophobicContact CE3-CB 3.55Å; W4-C42 HydrophobicContact CG-CB 4.31Å; W4-C42 HydrophobicContact CH2-CB 3.74Å; W4-C42 HydrophobicContact CZ2-CB 3.82Å; W4-C42 HydrophobicContact CZ3-CB 3.62Å; W4-W45 HydrophobicContact CH2-CB 3.77Å; W4-W45 HydrophobicContact CZ2-CB 4.47Å; W4-V59 HydrophobicContact CH2-CB 4.42Å; W4-V59 HydrophobicContact CH2-CG1 3.23Å; W4-V59 HydrophobicContact CZ2-CG1 3.27Å; W4-V59 HydrophobicContact CZ3-CG1 4.25Å | ||
| 5 | I | 77 | Confident | 67.5 | Low | 87 Ų | 87 | 95.9 Ų | 95.9 | 45% | 0.446 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 136.8 | 177 | -53.4 | 174.3 | 0 | 0 | 0 | 107.4 | R3 Y7 R40 Q41 | R3-I5 PolarHBondContact O-N 3.45Å; I5-Y7 PolarHBondContact O-N 3.04Å; I5-R40 WeakPolarHBondContact O-CA 3.4Å; I5-R40 WeakPolarHBondContact O-CB 3.35Å; I5-Q41 PolarHBondContact N-O 3.21Å; I5-Q41 PolarHBondContact O-N 3.27Å |
| 6 | P | 72.7 | Confident | 68.7 | Low | 61 Ų | 61 | 90 Ų | 90 | 40% | 0.396 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -50.7 | 138.8 | 169.6 | -22.8 | 32.7 | 0 | 0 | 0 | 110.2 | E8 | P6-E8 PolarHBondContact O-N 3.11Å; P6-E8 VanDerWaalsContact O-N 3.14Å |
| 7 | Y | 71.3 | Confident | 69.9 | Low | 8 Ų | 8 | 88.5 Ų | 88.5 | 3% | 0.031 | 43% | 0.426 | C | S | . | . | trans | -71.5 | 110.1 | 172.8 | -163.5 | -101.6 | 0 | 0 | 0 | 108.2 | I5 E9 I11 K12 I38 L39 Q41 F46 F67 | I5-Y7 PolarHBondContact O-N 3.04Å; Y7-E9 HydrophobicContact CD1-CB 4.13Å; Y7-E9 HydrophobicContact CE1-CB 3.55Å; Y7-E9 HydrophobicContact CE1-CG 4.06Å; Y7-E9 PolarHBondContact OH-OE2 2.88Å; Y7-I11 VanDerWaalsContact CE1-O 3.27Å; Y7-I11 WeakPolarHBondContact CE1-O 3.44Å; Y7-K12 HydrophobicContact CD1-CG 3.93Å; Y7-K12 WeakPolarHBondContact O-CE 3.33Å; Y7-I38 HydrophobicContact CD1-CG2 4.37Å; Y7-I38 HydrophobicContact CD2-CG2 3.87Å; Y7-I38 HydrophobicContact CE2-CG2 4.4Å; Y7-I38 HydrophobicContact CG-CG2 3.85Å; Y7-L39 PolarHBondContact N-O 3.16Å; Y7-Q41 HydrophobicContact CD2-CB 4.08Å; Y7-Q41 HydrophobicContact CD2-CG 3.95Å; Y7-F46 AromaticContact CD2-CE1 3.94Å; Y7-F46 HydrophobicContact CD2-CE1 3.94Å; Y7-F46 AromaticContact CE2-CE1 3.59Å; Y7-F46 HydrophobicContact CE2-CE1 3.59Å; Y7-F46 HydrophobicContact CE2-CZ 4.12Å; Y7-F67 HydrophobicContact CE1-CE1 4.21Å; Y7-F67 HydrophobicContact CE1-CZ 4.39Å; Y7-F67 HydrophobicContact CE2-CZ 4.31Å; Y7-F67 AromaticContact CZ-CE1 3.95Å; Y7-F67 AromaticContact CZ-CZ 3.69Å; Y7-F67 WeakPolarHBondContact OH-CE1 3.09Å; Y7-F67 WeakPolarHBondContact OH-CZ 3.37Å | ||
| 8 | E | 62.4 | Low | 70.8 | Confident | 160 Ų | 160 | 88.6 Ų | 88.6 | 75% | 0.748 | 43% | 0.428 | S | S | * | . | trans | -84.3 | -17.4 | -172.3 | -70.3 | -173.9 | 172.7 | 0 | 0 | 113.5 | P6 | P6-E8 PolarHBondContact O-N 3.11Å; P6-E8 VanDerWaalsContact O-N 3.14Å | ||
| 9 | E | 56.9 | Low | 71.7 | Confident | 111 Ų | 111 | 87.9 Ų | 87.9 | 52% | 0.519 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -69.5 | 143 | 178.1 | -54.9 | 178.3 | 176.9 | 0 | 0 | 110.6 | Y7 I11 | Y7-E9 HydrophobicContact CD1-CB 4.13Å; Y7-E9 HydrophobicContact CE1-CB 3.55Å; Y7-E9 HydrophobicContact CE1-CG 4.06Å; Y7-E9 PolarHBondContact OH-OE2 2.88Å; E9-I11 PolarHBondContact O-N 3Å; E9-I11 VanDerWaalsContact O-N 3.16Å |
| 10 | N | 51.7 | Low | 72.4 | Confident | 167 Ų | 167 | 85.2 Ų | 85.2 | 89% | 0.893 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -60.5 | -25.4 | -179.3 | -70.2 | -19.6 | 0 | 0 | 0 | 112.7 | ||
| 11 | I | 50.6 | Low | 72.9 | Confident | 44 Ų | 44 | 91.2 Ų | 91.2 | 23% | 0.226 | 44% | 0.436 | C | S | . | . | trans | -97.1 | 100.4 | -175 | -62.7 | 170.5 | 0 | 0 | 0 | 109.8 | Y7 E9 F67 E70 D74 | Y7-I11 VanDerWaalsContact CE1-O 3.27Å; Y7-I11 WeakPolarHBondContact CE1-O 3.44Å; E9-I11 PolarHBondContact O-N 3Å; E9-I11 VanDerWaalsContact O-N 3.16Å; I11-F67 HydrophobicContact CG2-CD1 4.22Å; I11-E70 HydrophobicContact CD1-CG 4.22Å; I11-D74 WeakPolarHBondContact CG1-OD2 3.1Å; I11-D74 WeakPolarHBondContact CG2-OD2 3.47Å | ||
| 12 | K | 69.5 | Low | 74.3 | Confident | 55 Ų | 55 | 80.4 Ų | 80.4 | 24% | 0.239 | 39% | 0.385 | C | S | . | . | trans | -101.5 | -8.6 | -177.8 | -73.8 | 179.1 | 180 | -177.3 | 0 | 114.4 | Y7 F37 I38 | Y7-K12 HydrophobicContact CD1-CG 3.93Å; Y7-K12 WeakPolarHBondContact O-CE 3.33Å; K12-F37 HydrophobicContact CB-CD1 4.46Å; K12-F37 HydrophobicContact CB-CD2 3.71Å; K12-F37 HydrophobicContact CB-CE1 4.06Å; K12-F37 HydrophobicContact CB-CE2 3.24Å; K12-F37 HydrophobicContact CB-CG 4.34Å; K12-F37 HydrophobicContact CB-CZ 3.44Å; K12-F37 VanDerWaalsContact CB-CZ 3.44Å; K12-F37 HydrophobicContact CD-CE1 3.84Å; K12-F37 HydrophobicContact CD-CE2 4.24Å; K12-F37 HydrophobicContact CD-CZ 3.51Å; K12-F37 HydrophobicContact CG-CE2 4.33Å; K12-F37 HydrophobicContact CG-CZ 4.09Å; K12-F37 CarbonylContact O-C 3.31Å; K12-F37 WeakPolarHBondContact O-CA 3.46Å; K12-I38 WeakPolarHBondContact CB-O 3.35Å; K12-I38 WeakPolarHBondContact CD-O 3.33Å; K12-I38 VanDerWaalsContact CG-O 3.27Å; K12-I38 WeakPolarHBondContact CG-O 3.24Å; K12-I38 PolarHBondContact O-N 2.98Å | ||
| 13 | W | 75.5 | Confident | 74.6 | Confident | 30 Ų | 30 | 82.5 Ų | 82.5 | 11% | 0.114 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 131 | -179.6 | -70.2 | 102.6 | 0 | 0 | 0 | 111.3 | V36 F37 F49 M51 P1520 I1524 | W13-V36 WeakPolarHBondContact CA-O 3.38Å; W13-F37 AromaticContact CD1-CD2 3.83Å; W13-F37 AromaticContact CD1-CE2 3.91Å; W13-F37 HydrophobicContact CD2-CB 4.29Å; W13-F37 AromaticContact CD2-CD2 3.51Å; W13-F37 HydrophobicContact CD2-CD2 3.51Å; W13-F37 HydrophobicContact CD2-CE2 4.32Å; W13-F37 HydrophobicContact CD2-CG 4.39Å; W13-F37 AromaticContact CE2-CD2 3.31Å; W13-F37 AromaticContact CE2-CE2 3.85Å; W13-F37 HydrophobicContact CE3-CB 3.91Å; W13-F37 HydrophobicContact CE3-CD2 4.02Å; W13-F37 HydrophobicContact CE3-CG 4.49Å; W13-F37 AromaticContact CG-CD2 3.85Å; W13-F37 HydrophobicContact CG-CD2 3.85Å; W13-F37 HydrophobicContact CG-CE2 4.36Å; W13-F37 HydrophobicContact CH2-CB 3.96Å; W13-F37 HydrophobicContact CH2-CD2 4.21Å; W13-F37 HydrophobicContact CH2-CG 4.43Å; W13-F37 HydrophobicContact CZ2-CB 4.34Å; W13-F37 AromaticContact CZ2-CD2 3.72Å; W13-F37 HydrophobicContact CZ2-CD2 3.72Å; W13-F37 HydrophobicContact CZ2-CE2 4.35Å; W13-F37 HydrophobicContact CZ2-CG 4.32Å; W13-F37 HydrophobicContact CZ3-CB 3.73Å; W13-F37 HydrophobicContact CZ3-CD2 4.34Å; W13-F37 AromaticContact NE1-CD2 3.51Å; W13-F37 AromaticContact NE1-CE2 3.57Å; W13-F49 HydrophobicContact CH2-CE2 4.25Å; W13-M51 HydrophobicContact CH2-CB 4.22Å; W13-M51 HydrophobicContact CH2-CG 4.09Å; W13-M51 HydrophobicContact CH2-SD 4.06Å; W13-M51 HydrophobicContact CZ3-CB 3.85Å; W13-M51 HydrophobicContact CZ3-CG 4.13Å; W13-M51 HydrophobicContact CZ3-SD 4Å; W13-P1520 HydrophobicContact CH2-CB 4.37Å; W13-I1524 HydrophobicContact CH2-CD1 4.14Å; W13-I1524 HydrophobicContact CZ2-CD1 3.36Å |
| 14 | A | 80.3 | Confident | 74.4 | Confident | 1 Ų | 1 | 75.9 Ų | 75.9 | 1% | 0.008 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 151.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | V36 I38 V65 F67 | A14-V36 HydrophobicContact CB-CG2 4.32Å; A14-V36 PolarHBondContact N-O 2.99Å; A14-V36 WeakPolarHBondContact O-CG2 3.15Å; A14-V36 PolarHBondContact O-N 3.46Å; A14-I38 HydrophobicContact CB-CD1 3.84Å; A14-V65 HydrophobicContact CB-CB 3.83Å; A14-V65 HydrophobicContact CB-CG1 4.41Å; A14-V65 HydrophobicContact CB-CG2 4.24Å; A14-F67 HydrophobicContact CB-CD1 4.02Å; A14-F67 HydrophobicContact CB-CE1 4.16Å; A14-F67 HydrophobicContact CB-CG 4.47Å |
| 15 | V | 84.2 | Confident | 73.8 | Confident | 33 Ų | 33 | 83.5 Ų | 83.5 | 20% | 0.2 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 134.9 | 175.8 | -177.3 | 0 | 0 | 0 | 0 | 108.9 | V17 D35 V65 A66 K68 | V15-V17 PolarHBondContact O-N 2.91Å; V15-D35 WeakPolarHBondContact CG2-OD1 3.45Å; V15-V65 CarbonylContact O-C 3.59Å; V15-V65 WeakPolarHBondContact O-CA 3.49Å; V15-A66 PolarHBondContact N-O 2.89Å; V15-A66 PolarHBondContact O-N 3.31Å; V15-K68 HydrophobicContact CG2-CD 3.88Å; V15-K68 HydrophobicContact CG2-CG 3.96Å |
| 16 | V | 87.3 | Confident | 73.6 | Confident | 1 Ų | 1 | 85.3 Ų | 85.3 | 1% | 0.006 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 115.2 | 176.3 | 178.7 | 0 | 0 | 0 | 0 | 109.6 | N18 I30 S31 I32 G33 D34 V36 C64 V65 | V16-N18 WeakPolarHBondContact CG1-O 3.39Å; V16-I30 HydrophobicContact CG1-CB 4.02Å; V16-I30 HydrophobicContact CG1-CD1 3.88Å; V16-I30 HydrophobicContact CG1-CG1 4.03Å; V16-I30 HydrophobicContact CG2-CB 3.83Å; V16-I30 HydrophobicContact CG2-CD1 3.93Å; V16-I30 HydrophobicContact CG2-CG1 4.34Å; V16-I30 HydrophobicContact CG2-CG2 4.18Å; V16-S31 VanDerWaalsContact CB-O 3.24Å; V16-S31 WeakPolarHBondContact CB-O 3.38Å; V16-S31 WeakPolarHBondContact CG1-O 3.36Å; V16-I32 WeakPolarHBondContact O-CA 3.37Å; V16-G33 PolarHBondContact O-N 2.78Å; V16-D34 HydrophobicContact CB-CB 4.3Å; V16-D34 HydrophobicContact CG2-CB 3.99Å; V16-D34 VanDerWaalsContact CG2-O 3.32Å; V16-D34 WeakPolarHBondContact CG2-O 3.38Å; V16-D34 PolarHBondContact N-O 3.5Å; V16-V36 HydrophobicContact CG2-CB 4.48Å; V16-V36 HydrophobicContact CG2-CG1 3.67Å; V16-V36 HydrophobicContact CG2-CG2 3.96Å; V16-C64 CarbonylContact C-O 3.53Å; V16-C64 WeakPolarHBondContact CA-O 3.32Å; V16-V65 HydrophobicContact CG2-CG1 4.04Å |
| 17 | V | 88.5 | Confident | 74 | Confident | 65 Ų | 65 | 86.3 Ų | 86.3 | 39% | 0.394 | 42% | 0.419 | S | S | . | . | trans | -98.2 | -26.1 | 178.7 | -69.5 | 0 | 0 | 0 | 0 | 112.8 | V15 C64 A66 | V15-V17 PolarHBondContact O-N 2.91Å; V17-C64 WeakPolarHBondContact CG2-O 3.33Å; V17-C64 PolarHBondContact N-O 2.73Å; V17-A66 HydrophobicContact CG1-CB 3.53Å; V17-A66 HydrophobicContact CG2-CB 4.23Å | ||
| 18 | N | 85.5 | Confident | 74.6 | Confident | 89 Ų | 89 | 86.5 Ų | 86.5 | 48% | 0.476 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -126.5 | 136.7 | 172.3 | -67.9 | -46.6 | 0 | 0 | 0 | 110.1 | V16 A63 C64 | V16-N18 WeakPolarHBondContact CG1-O 3.39Å; N18-A63 PolarHBondContact ND2-O 3.32Å; N18-C64 PolarHBondContact N-O 3.02Å; N18-C64 VanDerWaalsContact N-O 3.13Å; N18-C64 WeakPolarHBondContact O-CB 3.46Å |
| 19 | P | 88.3 | Confident | 75.7 | Confident | 76 Ų | 76 | 82.6 Ų | 82.6 | 49% | 0.494 | 41% | 0.405 | S | S | . | . | trans | -72.1 | 147.4 | -179.7 | 31.5 | -29.3 | 0 | 0 | 0 | 110 | I30 I32 | P19-I30 WeakPolarHBondContact CA-O 3.41Å; P19-I32 HydrophobicContact CB-CG1 4.13Å; P19-I32 HydrophobicContact CG-CD1 4.2Å; P19-I32 HydrophobicContact CG-CG1 4.03Å | ||
| 20 | F | 86.2 | Confident | 77 | Confident | 34 Ų | 34 | 77.5 Ų | 77.5 | 15% | 0.149 | 38% | 0.381 | C | S | . | . | B | Isolated β-bridge | trans | -139.4 | 121.4 | 175.3 | 172 | -104 | 0 | 0 | 0 | 108.3 | K27 L28 D29 I30 W45 V59 F60 P61 | F20-K27 HydrophobicContact CE1-CB 4.05Å; F20-K27 HydrophobicContact CE1-CD 4.33Å; F20-K27 HydrophobicContact CE1-CG 4.27Å; F20-K27 HydrophobicContact CZ-CB 4.42Å; F20-K27 HydrophobicContact CZ-CD 3.85Å; F20-K27 HydrophobicContact CZ-CG 4.22Å; F20-L28 WeakPolarHBondContact CD1-O 3.35Å; F20-D29 CarbonylContact O-C 3.52Å; F20-D29 VanDerWaalsContact O-CA 3.31Å; F20-D29 WeakPolarHBondContact O-CA 3.43Å; F20-I30 HydrophobicContact CB-CD1 3.99Å; F20-I30 HydrophobicContact CB-CG1 3.61Å; F20-I30 HydrophobicContact CD1-CG1 4.37Å; F20-I30 HydrophobicContact CG-CG1 4.5Å; F20-I30 PolarHBondContact N-O 2.91Å; F20-I30 PolarHBondContact O-N 3.46Å; F20-W45 HydrophobicContact CE1-CZ3 4.3Å; F20-W45 HydrophobicContact CE2-CH2 4.12Å; F20-W45 HydrophobicContact CE2-CZ3 4.16Å; F20-W45 AromaticContact CZ-CH2 3.92Å; F20-W45 HydrophobicContact CZ-CH2 3.92Å; F20-W45 AromaticContact CZ-CZ3 3.62Å; F20-W45 HydrophobicContact CZ-CZ3 3.62Å; F20-V59 WeakPolarHBondContact CE1-O 3.2Å; F20-F60 HydrophobicContact CD1-CB 3.99Å; F20-F60 HydrophobicContact CE1-CB 4.25Å; F20-P61 HydrophobicContact CD2-CG 3.8Å; F20-P61 HydrophobicContact CE2-CG 3.78Å; F20-P61 HydrophobicContact CG-CG 4.33Å; F20-P61 HydrophobicContact CZ-CG 4.29Å |
| 21 | R | 82.7 | Confident | 78.7 | Confident | 212 Ų | 212 | 71.9 Ų | 71.9 | 80% | 0.8 | 36% | 0.355 | S | S | * | . | trans | -125.9 | 143.1 | 177.1 | -72.3 | -173.2 | 179.5 | 178.7 | -0.7 | 109.5 | D29 | R21-D29 VanDerWaalsContact CA-OD1 3.27Å; R21-D29 WeakPolarHBondContact CA-OD1 3.26Å | ||
| 22 | S | 75.7 | Confident | 80.3 | Confident | 20 Ų | 20 | 75.1 Ų | 75.1 | 14% | 0.14 | 37% | 0.372 | C | S | . | . | trans | -145.1 | 141.4 | -173.8 | 146.1 | 0 | 0 | 0 | 0 | 111.5 | T24 K27 D29 | S22-T24 VanDerWaalsContact C-N 3.29Å; S22-T24 PolarHBondContact O-N 3.15Å; S22-T24 PolarHBondContact OG-N 3.34Å; S22-T24 PolarHBondContact OG-O 3.21Å; S22-T24 PolarHBondContact OG-OG1 2.89Å; S22-K27 WeakPolarHBondContact OG-CB 3.46Å; S22-K27 WeakPolarHBondContact OG-CD 3.46Å; S22-D29 PolarHBondContact N-OD1 3.07Å | ||
| 23 | D | 71.3 | Confident | 80.7 | Confident | 179 Ų | 179 | 74.9 Ų | 74.9 | 96% | 0.957 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -79.8 | -6.6 | 176.5 | -58.8 | -32.1 | 0 | 0 | 0 | 114 | ||
| 24 | T | 68.6 | Low | 81 | Confident | 74 Ų | 74 | 74.5 Ų | 74.5 | 45% | 0.454 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -99.5 | 136.2 | -178.6 | 58.7 | 0 | 0 | 0 | 0 | 112.6 | S22 D26 K27 | S22-T24 VanDerWaalsContact C-N 3.29Å; S22-T24 PolarHBondContact O-N 3.15Å; S22-T24 PolarHBondContact OG-N 3.34Å; S22-T24 PolarHBondContact OG-O 3.21Å; S22-T24 PolarHBondContact OG-OG1 2.89Å; T24-D26 PolarHBondContact O-N 3.49Å; T24-D26 VanDerWaalsContact O-N 3.11Å; T24-K27 PolarHBondContact O-N 3.29Å; T24-K27 WeakPolarHBondContact OG1-CD 3.28Å |
| 25 | R | 64.3 | Low | 81 | Confident | 247 Ų | 247 | 75.5 Ų | 75.5 | 93% | 0.932 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -22.6 | -178.5 | -72.1 | -174.6 | 179.3 | -177.5 | 0.5 | 114.9 | K27 | R25-K27 VanDerWaalsContact C-N 3.32Š|
| 26 | D | 72 | Confident | 80.9 | Confident | 125 Ų | 125 | 73.9 Ų | 73.9 | 67% | 0.668 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -10.4 | -175.9 | -54.8 | -28.3 | 0 | 0 | 0 | 113.7 | T24 G58 V59 | T24-D26 PolarHBondContact O-N 3.49Å; T24-D26 VanDerWaalsContact O-N 3.11Å; D26-G58 VanDerWaalsContact O-CA 3.22Å; D26-G58 WeakPolarHBondContact O-CA 3.3Å; D26-V59 VanDerWaalsContact O-CG2 3.23Å; D26-V59 WeakPolarHBondContact O-CG2 3.14Å; D26-V59 PolarHBondContact O-N 2.78Å |
| 27 | K | 81.1 | Confident | 80.5 | Confident | 81 Ų | 81 | 74.4 Ų | 74.4 | 35% | 0.352 | 38% | 0.383 | S | S | . | . | B | Isolated β-bridge | trans | -104.5 | 143.7 | -178.2 | -78.1 | 172 | 179.7 | 174.3 | 0 | 110.4 | F20 S22 T24 R25 V59 | F20-K27 HydrophobicContact CE1-CB 4.05Å; F20-K27 HydrophobicContact CE1-CD 4.33Å; F20-K27 HydrophobicContact CE1-CG 4.27Å; F20-K27 HydrophobicContact CZ-CB 4.42Å; F20-K27 HydrophobicContact CZ-CD 3.85Å; F20-K27 HydrophobicContact CZ-CG 4.22Å; S22-K27 WeakPolarHBondContact OG-CB 3.46Å; S22-K27 WeakPolarHBondContact OG-CD 3.46Å; T24-K27 PolarHBondContact O-N 3.29Å; T24-K27 WeakPolarHBondContact OG1-CD 3.28Å; R25-K27 VanDerWaalsContact C-N 3.32Å; K27-V59 WeakPolarHBondContact CA-O 3.47Å; K27-V59 HydrophobicContact CG-CG2 3.79Å |
| 28 | L | 83.6 | Confident | 80.2 | Confident | 12 Ų | 12 | 71.3 Ų | 71.3 | 6% | 0.063 | 36% | 0.364 | C | S | . | . | trans | -92.9 | 109.8 | -178.2 | -171.3 | 70.5 | 0 | 0 | 0 | 109.8 | F20 I30 V36 K50 V59 F60 | F20-L28 WeakPolarHBondContact CD1-O 3.35Å; L28-I30 HydrophobicContact CB-CG2 4.49Å; L28-I30 HydrophobicContact CD2-CG2 3.81Å; L28-I30 HydrophobicContact CG-CG2 3.87Å; L28-I30 PolarHBondContact O-N 3.17Å; L28-V36 HydrophobicContact CD2-CG1 4.41Å; L28-K50 HydrophobicContact CD1-CG 4.46Å; L28-K50 HydrophobicContact CD2-CG 4.17Å; L28-K50 HydrophobicContact CG-CG 4.43Å; L28-V59 PolarHBondContact N-O 3.29Å; L28-F60 HydrophobicContact CB-CD1 4.08Å; L28-F60 HydrophobicContact CD2-CD1 3.79Å; L28-F60 HydrophobicContact CD2-CE1 3.88Å | ||
| 29 | D | 85.3 | Confident | 79.8 | Confident | 79 Ų | 79 | 67.6 Ų | 67.6 | 42% | 0.422 | 34% | 0.344 | S | S | . | . | trans | -65.1 | 115.4 | 172.8 | -73.4 | -24.4 | 0 | 0 | 0 | 109.8 | F20 R21 S22 K50 | F20-D29 CarbonylContact O-C 3.52Å; F20-D29 VanDerWaalsContact O-CA 3.31Å; F20-D29 WeakPolarHBondContact O-CA 3.43Å; R21-D29 VanDerWaalsContact CA-OD1 3.27Å; R21-D29 WeakPolarHBondContact CA-OD1 3.26Å; S22-D29 PolarHBondContact N-OD1 3.07Å; D29-K50 WeakPolarHBondContact O-CE 3.39Å; D29-K50 PolarHBondContact O-NZ 3.46Å | ||
| 30 | I | 85.8 | Confident | 79.5 | Confident | 3 Ų | 3 | 67.8 Ų | 67.8 | 2% | 0.015 | 34% | 0.335 | C | S | . | . | B | Isolated β-bridge | trans | -122 | 136.9 | -177.5 | 53.2 | 173.2 | 0 | 0 | 0 | 111.6 | V16 P19 F20 L28 V36 K50 F60 C64 | V16-I30 HydrophobicContact CG1-CB 4.02Å; V16-I30 HydrophobicContact CG1-CD1 3.88Å; V16-I30 HydrophobicContact CG1-CG1 4.03Å; V16-I30 HydrophobicContact CG2-CB 3.83Å; V16-I30 HydrophobicContact CG2-CD1 3.93Å; V16-I30 HydrophobicContact CG2-CG1 4.34Å; V16-I30 HydrophobicContact CG2-CG2 4.18Å; P19-I30 WeakPolarHBondContact CA-O 3.41Å; F20-I30 HydrophobicContact CB-CD1 3.99Å; F20-I30 HydrophobicContact CB-CG1 3.61Å; F20-I30 HydrophobicContact CD1-CG1 4.37Å; F20-I30 HydrophobicContact CG-CG1 4.5Å; F20-I30 PolarHBondContact N-O 2.91Å; F20-I30 PolarHBondContact O-N 3.46Å; L28-I30 HydrophobicContact CB-CG2 4.49Å; L28-I30 HydrophobicContact CD2-CG2 3.81Å; L28-I30 HydrophobicContact CG-CG2 3.87Å; L28-I30 PolarHBondContact O-N 3.17Å; I30-V36 HydrophobicContact CG2-CG1 3.81Å; I30-K50 HydrophobicContact CG2-CG 4.33Å; I30-F60 HydrophobicContact CD1-CB 3.76Å; I30-F60 HydrophobicContact CD1-CD2 4.02Å; I30-F60 HydrophobicContact CD1-CG 4.02Å; I30-C64 HydrophobicContact CD1-CB 3.7Å |
| 31 | S | 86.3 | Confident | 79.4 | Confident | 49 Ų | 49 | 68.8 Ų | 68.8 | 34% | 0.343 | 34% | 0.34 | S | S | . | . | trans | -105 | 152.7 | 175.9 | 22.5 | 0 | 0 | 0 | 0 | 111.5 | V16 G33 D34 | V16-S31 VanDerWaalsContact CB-O 3.24Å; V16-S31 WeakPolarHBondContact CB-O 3.38Å; V16-S31 WeakPolarHBondContact CG1-O 3.36Å; S31-G33 PolarHBondContact O-N 3.44Å; S31-D34 WeakPolarHBondContact CB-OD1 3.36Å; S31-D34 PolarHBondContact N-OD2 3.36Å; S31-D34 WeakPolarHBondContact O-CB 3.34Å; S31-D34 PolarHBondContact O-N 2.75Å; S31-D34 PolarHBondContact OG-OD1 3.33Å; S31-D34 PolarHBondContact OG-OD2 3.33Å | ||
| 32 | I | 83.9 | Confident | 79.5 | Confident | 113 Ų | 113 | 59.4 Ų | 59.4 | 58% | 0.579 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 126.8 | 175.4 | -56.5 | 174.5 | 0 | 0 | 0 | 108.9 | V16 P19 | V16-I32 WeakPolarHBondContact O-CA 3.37Å; P19-I32 HydrophobicContact CB-CG1 4.13Å; P19-I32 HydrophobicContact CG-CD1 4.2Å; P19-I32 HydrophobicContact CG-CG1 4.03Å |
| 33 | G | 78.1 | Confident | 80 | Confident | 50 Ų | 50 | 64.4 Ų | 64.4 | 52% | 0.515 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.6 | -10.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | V16 S31 | V16-G33 PolarHBondContact O-N 2.78Å; S31-G33 PolarHBondContact O-N 3.44Å |
| 34 | D | 81.6 | Confident | 80.8 | Confident | 22 Ų | 22 | 61.6 Ų | 61.6 | 12% | 0.118 | 31% | 0.313 | C | S | . | . | trans | -66.3 | 137.1 | 174 | -62.3 | 1.3 | 0 | 0 | 0 | 110.2 | V16 S31 K50 | V16-D34 HydrophobicContact CB-CB 4.3Å; V16-D34 HydrophobicContact CG2-CB 3.99Å; V16-D34 VanDerWaalsContact CG2-O 3.32Å; V16-D34 WeakPolarHBondContact CG2-O 3.38Å; V16-D34 PolarHBondContact N-O 3.5Å; S31-D34 WeakPolarHBondContact CB-OD1 3.36Å; S31-D34 PolarHBondContact N-OD2 3.36Å; S31-D34 WeakPolarHBondContact O-CB 3.34Å; S31-D34 PolarHBondContact O-N 2.75Å; S31-D34 PolarHBondContact OG-OD1 3.33Å; S31-D34 PolarHBondContact OG-OD2 3.33Å; D34-K50 WeakPolarHBondContact OD2-CE 3.36Å; D34-K50 IonicContact OD2-NZ 3.8Å; D34-K50 PolarHBondContact OD2-NZ 3.16Å | ||
| 35 | D | 80.1 | Confident | 81.7 | Confident | 21 Ų | 21 | 62.4 Ų | 62.4 | 11% | 0.112 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 126.9 | 167.4 | -71 | -59.7 | 0 | 0 | 0 | 109.3 | V15 M51 K68 Q81 | V15-D35 WeakPolarHBondContact CG2-OD1 3.45Å; D35-M51 HydrophobicContact CB-CB 4.06Å; D35-M51 HydrophobicContact CB-SD 4.21Å; D35-M51 PolarHBondContact O-N 3.17Å; D35-K68 IonicContact OD1-NZ 2.88Å; D35-K68 PolarHBondContact OD1-NZ 3.12Å; D35-K68 IonicContact OD2-NZ 3.17Å; D35-Q81 PolarHBondContact OD2-NE2 3.29Å; D35-Q81 PolarHBondContact OD2-OE1 3.16Å |
| 36 | V | 82.6 | Confident | 82.9 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 143.4 | 179.9 | -66.5 | 0 | 0 | 0 | 0 | 111.8 | W13 A14 V16 L28 I30 F49 K50 F60 V65 | W13-V36 WeakPolarHBondContact CA-O 3.38Å; A14-V36 HydrophobicContact CB-CG2 4.32Å; A14-V36 PolarHBondContact N-O 2.99Å; A14-V36 WeakPolarHBondContact O-CG2 3.15Å; A14-V36 PolarHBondContact O-N 3.46Å; V16-V36 HydrophobicContact CG2-CB 4.48Å; V16-V36 HydrophobicContact CG2-CG1 3.67Å; V16-V36 HydrophobicContact CG2-CG2 3.96Å; L28-V36 HydrophobicContact CD2-CG1 4.41Å; I30-V36 HydrophobicContact CG2-CG1 3.81Å; V36-F49 CarbonylContact C-O 3.56Å; V36-F49 VanDerWaalsContact CA-O 3.31Å; V36-F49 WeakPolarHBondContact CA-O 3.49Å; V36-K50 HydrophobicContact CG1-CG 4.09Å; V36-F60 HydrophobicContact CB-CZ 4.16Å; V36-F60 HydrophobicContact CG2-CE2 4.04Å; V36-F60 HydrophobicContact CG2-CZ 3.87Å; V36-V65 HydrophobicContact CG2-CG1 3.56Å |
| 37 | F | 79 | Confident | 83.6 | Confident | 11 Ų | 11 | 48.2 Ų | 48.2 | 5% | 0.048 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 122.8 | 175.8 | -166.9 | -103.7 | 0 | 0 | 0 | 110.6 | K12 W13 L39 G48 F49 I1524 | K12-F37 HydrophobicContact CB-CD1 4.46Å; K12-F37 HydrophobicContact CB-CD2 3.71Å; K12-F37 HydrophobicContact CB-CE1 4.06Å; K12-F37 HydrophobicContact CB-CE2 3.24Å; K12-F37 HydrophobicContact CB-CG 4.34Å; K12-F37 HydrophobicContact CB-CZ 3.44Å; K12-F37 VanDerWaalsContact CB-CZ 3.44Å; K12-F37 HydrophobicContact CD-CE1 3.84Å; K12-F37 HydrophobicContact CD-CE2 4.24Å; K12-F37 HydrophobicContact CD-CZ 3.51Å; K12-F37 HydrophobicContact CG-CE2 4.33Å; K12-F37 HydrophobicContact CG-CZ 4.09Å; K12-F37 CarbonylContact O-C 3.31Å; K12-F37 WeakPolarHBondContact O-CA 3.46Å; W13-F37 AromaticContact CD1-CD2 3.83Å; W13-F37 AromaticContact CD1-CE2 3.91Å; W13-F37 HydrophobicContact CD2-CB 4.29Å; W13-F37 AromaticContact CD2-CD2 3.51Å; W13-F37 HydrophobicContact CD2-CD2 3.51Å; W13-F37 HydrophobicContact CD2-CE2 4.32Å; W13-F37 HydrophobicContact CD2-CG 4.39Å; W13-F37 AromaticContact CE2-CD2 3.31Å; W13-F37 AromaticContact CE2-CE2 3.85Å; W13-F37 HydrophobicContact CE3-CB 3.91Å; W13-F37 HydrophobicContact CE3-CD2 4.02Å; W13-F37 HydrophobicContact CE3-CG 4.49Å; W13-F37 AromaticContact CG-CD2 3.85Å; W13-F37 HydrophobicContact CG-CD2 3.85Å; W13-F37 HydrophobicContact CG-CE2 4.36Å; W13-F37 HydrophobicContact CH2-CB 3.96Å; W13-F37 HydrophobicContact CH2-CD2 4.21Å; W13-F37 HydrophobicContact CH2-CG 4.43Å; W13-F37 HydrophobicContact CZ2-CB 4.34Å; W13-F37 AromaticContact CZ2-CD2 3.72Å; W13-F37 HydrophobicContact CZ2-CD2 3.72Å; W13-F37 HydrophobicContact CZ2-CE2 4.35Å; W13-F37 HydrophobicContact CZ2-CG 4.32Å; W13-F37 HydrophobicContact CZ3-CB 3.73Å; W13-F37 HydrophobicContact CZ3-CD2 4.34Å; W13-F37 AromaticContact NE1-CD2 3.51Å; W13-F37 AromaticContact NE1-CE2 3.57Å; F37-L39 HydrophobicContact CD1-CD2 3.73Å; F37-L39 HydrophobicContact CD1-CG 4.14Å; F37-L39 HydrophobicContact CE1-CD2 3.59Å; F37-L39 HydrophobicContact CE1-CG 4.45Å; F37-G48 CarbonylContact O-C 3.55Å; F37-G48 WeakPolarHBondContact O-CA 3.44Å; F37-F49 HydrophobicContact CB-CD1 4.13Å; F37-F49 HydrophobicContact CB-CD2 4.32Å; F37-F49 HydrophobicContact CB-CE1 3.72Å; F37-F49 HydrophobicContact CB-CE2 3.88Å; F37-F49 HydrophobicContact CB-CG 4.44Å; F37-F49 HydrophobicContact CB-CZ 3.58Å; F37-F49 HydrophobicContact CD1-CD1 4.31Å; F37-F49 AromaticContact CD1-CE1 3.45Å; F37-F49 HydrophobicContact CD1-CE1 3.45Å; F37-F49 VanDerWaalsContact CD1-CE1 3.45Å; F37-F49 AromaticContact CD1-CZ 3.77Å; F37-F49 HydrophobicContact CD1-CZ 3.77Å; F37-F49 HydrophobicContact CE1-CE1 4.38Å; F37-F49 AromaticContact CG-CE1 3.91Å; F37-F49 HydrophobicContact CG-CE1 3.91Å; F37-F49 AromaticContact CG-CZ 3.84Å; F37-F49 HydrophobicContact CG-CZ 3.84Å; F37-F49 PolarHBondContact N-O 3.23Å; F37-F49 PolarHBondContact O-N 3.37Å; F37-F49 VanDerWaalsContact O-N 3.11Å; F37-I1524 HydrophobicContact CD1-CD1 4.19Å; F37-I1524 HydrophobicContact CD1-CG1 4.33Å; F37-I1524 HydrophobicContact CD2-CD1 3.74Å; F37-I1524 HydrophobicContact CE1-CD1 4.06Å; F37-I1524 HydrophobicContact CE1-CG1 4.01Å; F37-I1524 HydrophobicContact CE1-CG2 4.09Å; F37-I1524 HydrophobicContact CE2-CD1 3.58Å; F37-I1524 HydrophobicContact CE2-CG1 4.35Å; F37-I1524 HydrophobicContact CE2-CG2 4.31Å; F37-I1524 HydrophobicContact CG-CD1 4Å; F37-I1524 HydrophobicContact CZ-CB 4.48Å; F37-I1524 HydrophobicContact CZ-CD1 3.75Å; F37-I1524 HydrophobicContact CZ-CG1 4Å; F37-I1524 HydrophobicContact CZ-CG2 3.59Å |
| 38 | I | 83.3 | Confident | 83.8 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 118.9 | -177.3 | -61.7 | 162.9 | 0 | 0 | 0 | 109.2 | Y7 K12 A14 F46 F60 V65 F67 | Y7-I38 HydrophobicContact CD1-CG2 4.37Å; Y7-I38 HydrophobicContact CD2-CG2 3.87Å; Y7-I38 HydrophobicContact CE2-CG2 4.4Å; Y7-I38 HydrophobicContact CG-CG2 3.85Å; K12-I38 WeakPolarHBondContact CB-O 3.35Å; K12-I38 WeakPolarHBondContact CD-O 3.33Å; K12-I38 VanDerWaalsContact CG-O 3.27Å; K12-I38 WeakPolarHBondContact CG-O 3.24Å; K12-I38 PolarHBondContact O-N 2.98Å; A14-I38 HydrophobicContact CB-CD1 3.84Å; I38-F46 HydrophobicContact CD1-CD1 4.28Å; I38-F46 HydrophobicContact CD1-CD2 3.67Å; I38-F46 HydrophobicContact CD1-CE1 4.31Å; I38-F46 HydrophobicContact CD1-CE2 3.7Å; I38-F46 HydrophobicContact CD1-CG 3.98Å; I38-F46 HydrophobicContact CD1-CZ 4.04Å; I38-F46 HydrophobicContact CG1-CB 4.27Å; I38-F46 HydrophobicContact CG1-CD1 4.44Å; I38-F46 HydrophobicContact CG1-CD2 4.17Å; I38-F46 HydrophobicContact CG1-CG 4.07Å; I38-F46 HydrophobicContact CG2-CB 4.11Å; I38-F46 HydrophobicContact CG2-CD1 3.43Å; I38-F46 VanDerWaalsContact CG2-CD1 3.43Å; I38-F46 HydrophobicContact CG2-CE1 3.93Å; I38-F46 HydrophobicContact CG2-CG 3.83Å; I38-F60 HydrophobicContact CG1-CE2 4.35Å; I38-F60 HydrophobicContact CG1-CZ 3.93Å; I38-V65 HydrophobicContact CD1-CG2 4.4Å; I38-F67 HydrophobicContact CD1-CE1 3.48Å; I38-F67 VanDerWaalsContact CD1-CE1 3.48Å; I38-F67 HydrophobicContact CD1-CE2 4.48Å; I38-F67 HydrophobicContact CD1-CZ 3.41Å; I38-F67 VanDerWaalsContact CD1-CZ 3.41Å |
| 39 | L | 76.1 | Confident | 83.7 | Confident | 12 Ų | 12 | 43.8 Ų | 43.8 | 6% | 0.063 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | -41.6 | 178.2 | -67.3 | 169.9 | 0 | 0 | 0 | 112 | Y7 F37 Y47 F49 F57 L1530 | Y7-L39 PolarHBondContact N-O 3.16Å; F37-L39 HydrophobicContact CD1-CD2 3.73Å; F37-L39 HydrophobicContact CD1-CG 4.14Å; F37-L39 HydrophobicContact CE1-CD2 3.59Å; F37-L39 HydrophobicContact CE1-CG 4.45Å; L39-Y47 HydrophobicContact CB-CD1 4.3Å; L39-Y47 HydrophobicContact CD1-CD1 4.44Å; L39-Y47 HydrophobicContact CD1-CE1 4.27Å; L39-Y47 PolarHBondContact N-O 2.92Å; L39-F49 HydrophobicContact CD1-CD1 4.18Å; L39-F49 HydrophobicContact CD1-CE1 4.45Å; L39-F57 HydrophobicContact CD1-CD1 3.71Å; L39-F57 HydrophobicContact CD1-CE1 3.74Å; L39-L1530 HydrophobicContact CD1-CD2 3.91Å; L39-L1530 HydrophobicContact CD2-CB 4.03Å; L39-L1530 HydrophobicContact CD2-CD2 4.18Å |
| 40 | R | 81.3 | Confident | 83.4 | Confident | 79 Ų | 79 | 41.5 Ų | 41.5 | 30% | 0.298 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 158 | -174.7 | -51.7 | -177.3 | -175.1 | 166.3 | 3.7 | 110.7 | W4 I5 F46 Y47 N1532 | W4-R40 HydrophobicContact CE3-CB 3.7Å; W4-R40 HydrophobicContact CZ3-CB 4.4Å; I5-R40 WeakPolarHBondContact O-CA 3.4Å; I5-R40 WeakPolarHBondContact O-CB 3.35Å; R40-F46 WeakPolarHBondContact O-CA 3.49Å; R40-Y47 HydrophobicContact CG-CD1 4.3Å; R40-Y47 PolarHBondContact N-O 2.76Å; R40-Y47 VanDerWaalsContact N-O 3.16Å; R40-Y47 PolarHBondContact O-N 3.22Å; R40-N1532 VanDerWaalsContact CZ-OD1 3.25Å; R40-N1532 PolarHBondContact NE-ND2 3.34Å; R40-N1532 PolarHBondContact NE-OD1 2.68Å; R40-N1532 PolarHBondContact NH2-OD1 3.18Å |
| 41 | Q | 85.2 | Confident | 82.7 | Confident | 56 Ų | 56 | 41.6 Ų | 41.6 | 26% | 0.262 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 148.7 | 172.7 | 60.5 | 175.2 | -14.7 | 0 | 0 | 111.7 | I5 Y7 W45 F46 | I5-Q41 PolarHBondContact N-O 3.21Å; I5-Q41 PolarHBondContact O-N 3.27Å; Y7-Q41 HydrophobicContact CD2-CB 4.08Å; Y7-Q41 HydrophobicContact CD2-CG 3.95Å; Q41-W45 WeakPolarHBondContact CA-O 3.32Å; Q41-F46 HydrophobicContact CB-CD1 3.78Å; Q41-F46 HydrophobicContact CB-CE1 3.84Å |
| 42 | C | 84.4 | Confident | 81.6 | Confident | 14 Ų | 14 | 44.6 Ų | 44.6 | 10% | 0.095 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 112.1 | 173.1 | -177.8 | 0 | 0 | 0 | 0 | 108.5 | W4 D44 W45 | W4-C42 HydrophobicContact CD2-CB 3.65Å; W4-C42 HydrophobicContact CE3-CB 3.55Å; W4-C42 HydrophobicContact CG-CB 4.31Å; W4-C42 HydrophobicContact CH2-CB 3.74Å; W4-C42 HydrophobicContact CZ2-CB 3.82Å; W4-C42 HydrophobicContact CZ3-CB 3.62Å; C42-D44 PolarHBondContact O-N 3.15Å; C42-D44 VanDerWaalsContact O-N 3.07Å; C42-W45 PolarHBondContact N-O 3.32Å; C42-W45 WeakPolarHBondContact O-CA 3.45Å; C42-W45 PolarHBondContact O-N 2.78Å |
| 43 | E | 85.8 | Confident | 80.8 | Confident | 126 Ų | 126 | 42 Ų | 42 | 59% | 0.589 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 46.7 | -112.6 | -176.9 | -64.2 | -178.3 | 174.2 | 0 | 0 | 112.2 | M2 K62 | M2-E43 WeakPolarHBondContact CE-OE2 3.14Å; E43-K62 VanDerWaalsContact O-CD 3.26Å; E43-K62 WeakPolarHBondContact O-CD 3.48Å; E43-K62 WeakPolarHBondContact O-CE 3.32Å; E43-K62 PolarHBondContact O-NZ 2.81Å |
| 44 | D | 87.5 | Confident | 80 | Confident | 120 Ų | 120 | 40.4 Ų | 40.4 | 64% | 0.642 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | 11.4 | -179.7 | -65.9 | -34.2 | 0 | 0 | 0 | 114.2 | C42 P61 K62 | C42-D44 PolarHBondContact O-N 3.15Å; C42-D44 VanDerWaalsContact O-N 3.07Å; D44-P61 CarbonylContact O-C 3.57Å; D44-P61 WeakPolarHBondContact O-CA 3.08Å; D44-K62 WeakPolarHBondContact O-CG 3.47Å; D44-K62 PolarHBondContact O-N 3.37Å |
| 45 | W | 88.9 | Confident | 79.1 | Confident | 90 Ų | 90 | 43 Ų | 43 | 34% | 0.341 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 141.8 | -177.9 | -63.5 | 83.6 | 0 | 0 | 0 | 112.6 | W4 F20 Q41 C42 V59 F60 P61 | W4-W45 HydrophobicContact CH2-CB 3.77Å; W4-W45 HydrophobicContact CZ2-CB 4.47Å; F20-W45 HydrophobicContact CE1-CZ3 4.3Å; F20-W45 HydrophobicContact CE2-CH2 4.12Å; F20-W45 HydrophobicContact CE2-CZ3 4.16Å; F20-W45 AromaticContact CZ-CH2 3.92Å; F20-W45 HydrophobicContact CZ-CH2 3.92Å; F20-W45 AromaticContact CZ-CZ3 3.62Å; F20-W45 HydrophobicContact CZ-CZ3 3.62Å; Q41-W45 WeakPolarHBondContact CA-O 3.32Å; C42-W45 PolarHBondContact N-O 3.32Å; C42-W45 WeakPolarHBondContact O-CA 3.45Å; C42-W45 PolarHBondContact O-N 2.78Å; W45-V59 HydrophobicContact CE3-CB 4.22Å; W45-F60 VanDerWaalsContact CE3-C 3.46Å; W45-P61 HydrophobicContact CE3-CG 4.18Å; W45-P61 HydrophobicContact CH2-CG 3.86Å; W45-P61 HydrophobicContact CZ2-CG 4.5Å; W45-P61 HydrophobicContact CZ3-CG 3.69Å |
| 46 | F | 89.7 | Confident | 78.5 | Confident | 7 Ų | 7 | 48.9 Ų | 48.9 | 3% | 0.031 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 152 | 165.3 | -72.2 | -46.3 | 0 | 0 | 0 | 110.2 | Y7 I38 R40 Q41 V59 F60 K62 V65 F67 | Y7-F46 AromaticContact CD2-CE1 3.94Å; Y7-F46 HydrophobicContact CD2-CE1 3.94Å; Y7-F46 AromaticContact CE2-CE1 3.59Å; Y7-F46 HydrophobicContact CE2-CE1 3.59Å; Y7-F46 HydrophobicContact CE2-CZ 4.12Å; I38-F46 HydrophobicContact CD1-CD1 4.28Å; I38-F46 HydrophobicContact CD1-CD2 3.67Å; I38-F46 HydrophobicContact CD1-CE1 4.31Å; I38-F46 HydrophobicContact CD1-CE2 3.7Å; I38-F46 HydrophobicContact CD1-CG 3.98Å; I38-F46 HydrophobicContact CD1-CZ 4.04Å; I38-F46 HydrophobicContact CG1-CB 4.27Å; I38-F46 HydrophobicContact CG1-CD1 4.44Å; I38-F46 HydrophobicContact CG1-CD2 4.17Å; I38-F46 HydrophobicContact CG1-CG 4.07Å; I38-F46 HydrophobicContact CG2-CB 4.11Å; I38-F46 HydrophobicContact CG2-CD1 3.43Å; I38-F46 VanDerWaalsContact CG2-CD1 3.43Å; I38-F46 HydrophobicContact CG2-CE1 3.93Å; I38-F46 HydrophobicContact CG2-CG 3.83Å; R40-F46 WeakPolarHBondContact O-CA 3.49Å; Q41-F46 HydrophobicContact CB-CD1 3.78Å; Q41-F46 HydrophobicContact CB-CE1 3.84Å; F46-V59 CarbonylContact O-C 3.55Å; F46-V59 VanDerWaalsContact O-CA 3.23Å; F46-V59 WeakPolarHBondContact O-CA 3.49Å; F46-F60 HydrophobicContact CB-CD2 3.99Å; F46-F60 HydrophobicContact CB-CE1 4.31Å; F46-F60 HydrophobicContact CB-CE2 3.52Å; F46-F60 HydrophobicContact CB-CZ 3.72Å; F46-F60 AromaticContact CD2-CE2 3.96Å; F46-F60 HydrophobicContact CD2-CE2 3.96Å; F46-F60 HydrophobicContact CG-CE2 4.21Å; F46-F60 PolarHBondContact N-O 3.29Å; F46-F60 PolarHBondContact O-N 2.93Å; F46-K62 HydrophobicContact CD1-CD 4.49Å; F46-K62 HydrophobicContact CD1-CG 4.03Å; F46-K62 HydrophobicContact CD2-CB 4.08Å; F46-K62 HydrophobicContact CD2-CG 3.63Å; F46-K62 HydrophobicContact CE1-CD 3.99Å; F46-K62 HydrophobicContact CE1-CG 3.89Å; F46-K62 HydrophobicContact CE2-CB 3.81Å; F46-K62 HydrophobicContact CE2-CD 4.19Å; F46-K62 HydrophobicContact CE2-CG 3.48Å; F46-K62 VanDerWaalsContact CE2-CG 3.48Å; F46-K62 HydrophobicContact CG-CG 3.9Å; F46-K62 HydrophobicContact CZ-CB 4.29Å; F46-K62 HydrophobicContact CZ-CD 3.82Å; F46-K62 HydrophobicContact CZ-CG 3.61Å; F46-V65 HydrophobicContact CD2-CG2 3.53Å; F46-V65 HydrophobicContact CE2-CG2 3.53Å; F46-F67 HydrophobicContact CE2-CE2 4.07Å; F46-F67 AromaticContact CE2-CZ 3.94Å; F46-F67 HydrophobicContact CE2-CZ 3.94Å; F46-F67 AromaticContact CZ-CE2 3.9Å; F46-F67 HydrophobicContact CZ-CE2 3.9Å; F46-F67 AromaticContact CZ-CZ 3.66Å; F46-F67 HydrophobicContact CZ-CZ 3.66Å |
| 47 | Y | 85.4 | Confident | 78.2 | Confident | 68 Ų | 68 | 51.6 Ų | 51.6 | 27% | 0.267 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 130.6 | 170.1 | 175.2 | -101.3 | 0 | 0 | 0 | 108.6 | L39 R40 F57 V59 | L39-Y47 HydrophobicContact CB-CD1 4.3Å; L39-Y47 HydrophobicContact CD1-CD1 4.44Å; L39-Y47 HydrophobicContact CD1-CE1 4.27Å; L39-Y47 PolarHBondContact N-O 2.92Å; R40-Y47 HydrophobicContact CG-CD1 4.3Å; R40-Y47 PolarHBondContact N-O 2.76Å; R40-Y47 VanDerWaalsContact N-O 3.16Å; R40-Y47 PolarHBondContact O-N 3.22Å; Y47-F57 HydrophobicContact CE1-CB 4.35Å; Y47-F57 HydrophobicContact CE2-CB 4Å; Y47-F57 VanDerWaalsContact OH-CB 3.24Å; Y47-F57 WeakPolarHBondContact OH-CB 3.31Å; Y47-V59 HydrophobicContact CD2-CG1 3.91Å; Y47-V59 HydrophobicContact CG-CG1 4.46Å |
| 48 | G | 85.7 | Confident | 78.4 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -175 | -164.5 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | F37 F57 G58 | F37-G48 CarbonylContact O-C 3.55Å; F37-G48 WeakPolarHBondContact O-CA 3.44Å; G48-F57 VanDerWaalsContact O-CA 3.29Å; G48-F57 WeakPolarHBondContact O-CA 3.4Å; G48-G58 PolarHBondContact N-O 3.28Å; G48-G58 VanDerWaalsContact N-O 3.09Å; G48-G58 PolarHBondContact O-N 3.03Å |
| 49 | F | 81.5 | Confident | 78.7 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 164.9 | 178 | 63 | -91.1 | 0 | 0 | 0 | 111.3 | W13 V36 F37 L39 C54 K56 F57 I1524 L1530 | W13-F49 HydrophobicContact CH2-CE2 4.25Å; V36-F49 CarbonylContact C-O 3.56Å; V36-F49 VanDerWaalsContact CA-O 3.31Å; V36-F49 WeakPolarHBondContact CA-O 3.49Å; F37-F49 HydrophobicContact CB-CD1 4.13Å; F37-F49 HydrophobicContact CB-CD2 4.32Å; F37-F49 HydrophobicContact CB-CE1 3.72Å; F37-F49 HydrophobicContact CB-CE2 3.88Å; F37-F49 HydrophobicContact CB-CG 4.44Å; F37-F49 HydrophobicContact CB-CZ 3.58Å; F37-F49 HydrophobicContact CD1-CD1 4.31Å; F37-F49 AromaticContact CD1-CE1 3.45Å; F37-F49 HydrophobicContact CD1-CE1 3.45Å; F37-F49 VanDerWaalsContact CD1-CE1 3.45Å; F37-F49 AromaticContact CD1-CZ 3.77Å; F37-F49 HydrophobicContact CD1-CZ 3.77Å; F37-F49 HydrophobicContact CE1-CE1 4.38Å; F37-F49 AromaticContact CG-CE1 3.91Å; F37-F49 HydrophobicContact CG-CE1 3.91Å; F37-F49 AromaticContact CG-CZ 3.84Å; F37-F49 HydrophobicContact CG-CZ 3.84Å; F37-F49 PolarHBondContact N-O 3.23Å; F37-F49 PolarHBondContact O-N 3.37Å; F37-F49 VanDerWaalsContact O-N 3.11Å; L39-F49 HydrophobicContact CD1-CD1 4.18Å; L39-F49 HydrophobicContact CD1-CE1 4.45Å; F49-C54 HydrophobicContact CD2-CB 4.06Å; F49-C54 HydrophobicContact CE2-CB 4.19Å; F49-C54 WeakPolarHBondContact CE2-SG 3.39Å; F49-K56 WeakPolarHBondContact CB-O 3.45Å; F49-F57 HydrophobicContact CB-CD1 3.89Å; F49-F57 HydrophobicContact CB-CE1 4.07Å; F49-F57 AromaticContact CD1-CD1 3.81Å; F49-F57 HydrophobicContact CD1-CD1 3.81Å; F49-F57 AromaticContact CD1-CE1 3.38Å; F49-F57 HydrophobicContact CD1-CE1 3.38Å; F49-F57 HydrophobicContact CD1-CZ 4.35Å; F49-F57 HydrophobicContact CE1-CE1 4.07Å; F49-F57 HydrophobicContact CG-CD1 4.27Å; F49-F57 HydrophobicContact CG-CE1 4Å; F49-I1524 HydrophobicContact CZ-CD1 4Å; F49-I1524 HydrophobicContact CZ-CG1 3.91Å; F49-L1530 HydrophobicContact CE1-CD2 4.39Å |
| 50 | K | 80.1 | Confident | 79.3 | Confident | 30 Ų | 30 | 51.8 Ų | 51.8 | 13% | 0.13 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 144.1 | 172.9 | -68.5 | -171.4 | -178.4 | -174.9 | 0 | 111.7 | L28 D29 I30 D34 V36 D52 V53 C54 | L28-K50 HydrophobicContact CD1-CG 4.46Å; L28-K50 HydrophobicContact CD2-CG 4.17Å; L28-K50 HydrophobicContact CG-CG 4.43Å; D29-K50 WeakPolarHBondContact O-CE 3.39Å; D29-K50 PolarHBondContact O-NZ 3.46Å; I30-K50 HydrophobicContact CG2-CG 4.33Å; D34-K50 WeakPolarHBondContact OD2-CE 3.36Å; D34-K50 IonicContact OD2-NZ 3.8Å; D34-K50 PolarHBondContact OD2-NZ 3.16Å; V36-K50 HydrophobicContact CG1-CG 4.09Å; K50-D52 VanDerWaalsContact C-N 3.28Å; K50-D52 PolarHBondContact O-N 3.47Å; K50-V53 HydrophobicContact CB-CB 4.45Å; K50-V53 CarbonylContact O-C 3.55Å; K50-V53 PolarHBondContact O-N 2.89Å; K50-V53 VanDerWaalsContact O-N 3.1Å; K50-C54 PolarHBondContact O-N 3.4Å |
| 51 | M | 70.2 | Confident | 79.7 | Confident | 5 Ų | 5 | 49.2 Ų | 49.2 | 3% | 0.025 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -47.1 | 173.5 | -166.9 | 151.7 | -179.4 | 0 | 0 | 112.1 | W13 D35 V53 C54 Q81 P1520 | W13-M51 HydrophobicContact CH2-CB 4.22Å; W13-M51 HydrophobicContact CH2-CG 4.09Å; W13-M51 HydrophobicContact CH2-SD 4.06Å; W13-M51 HydrophobicContact CZ3-CB 3.85Å; W13-M51 HydrophobicContact CZ3-CG 4.13Å; W13-M51 HydrophobicContact CZ3-SD 4Å; D35-M51 HydrophobicContact CB-CB 4.06Å; D35-M51 HydrophobicContact CB-SD 4.21Å; D35-M51 PolarHBondContact O-N 3.17Å; M51-V53 VanDerWaalsContact C-N 3.31Å; M51-V53 PolarHBondContact O-N 2.86Å; M51-C54 PolarHBondContact O-SG 2.95Å; M51-Q81 HydrophobicContact CE-CB 3.8Å; M51-Q81 HydrophobicContact CE-CG 3.63Å; M51-Q81 HydrophobicContact SD-CG 4.2Å; M51-P1520 HydrophobicContact CG-CG 4.26Å; M51-P1520 WeakPolarHBondContact O-CG 3.33Å |
| 52 | D | 64.2 | Low | 79.9 | Confident | 112 Ų | 112 | 49.3 Ų | 49.3 | 60% | 0.599 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -23.7 | -177.6 | -49.7 | -2.9 | 0 | 0 | 0 | 113.5 | K50 | K50-D52 VanDerWaalsContact C-N 3.28Å; K50-D52 PolarHBondContact O-N 3.47Å |
| 53 | V | 66.8 | Low | 80 | Confident | 60 Ų | 60 | 52.4 Ų | 52.4 | 36% | 0.364 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 72.4 | -175.9 | -169.6 | 0 | 0 | 0 | 0 | 109.6 | K50 M51 S55 K56 | K50-V53 HydrophobicContact CB-CB 4.45Å; K50-V53 CarbonylContact O-C 3.55Å; K50-V53 PolarHBondContact O-N 2.89Å; K50-V53 VanDerWaalsContact O-N 3.1Å; M51-V53 VanDerWaalsContact C-N 3.31Å; M51-V53 PolarHBondContact O-N 2.86Å; V53-S55 PolarHBondContact O-N 3.33Å; V53-K56 HydrophobicContact CG1-CB 4.12Å; V53-K56 HydrophobicContact CG1-CD 4.19Å; V53-K56 HydrophobicContact CG1-CG 4.07Å; V53-K56 PolarHBondContact O-N 3.3Å |
| 54 | C | 61.1 | Low | 80.1 | Confident | 15 Ų | 15 | 47 Ų | 47 | 10% | 0.101 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | -13.8 | -178 | -69.9 | 0 | 0 | 0 | 0 | 114.5 | F49 K50 M51 K56 P1520 R1523 | F49-C54 HydrophobicContact CD2-CB 4.06Å; F49-C54 HydrophobicContact CE2-CB 4.19Å; F49-C54 WeakPolarHBondContact CE2-SG 3.39Å; K50-C54 PolarHBondContact O-N 3.4Å; M51-C54 PolarHBondContact O-SG 2.95Å; C54-K56 VanDerWaalsContact C-N 3.33Å; C54-P1520 WeakPolarHBondContact SG-CB 3.2Å; C54-P1520 WeakPolarHBondContact SG-CG 3.39Å; C54-R1523 PolarHBondContact O-NH1 3.09Å |
| 55 | S | 61.4 | Low | 80 | Confident | 78 Ų | 78 | 41.9 Ų | 41.9 | 55% | 0.545 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | -16.2 | 180 | 55.6 | 0 | 0 | 0 | 0 | 113.5 | V53 | V53-S55 PolarHBondContact O-N 3.33Å |
| 56 | K | 68.6 | Low | 79.7 | Confident | 144 Ų | 144 | 39.6 Ų | 39.6 | 63% | 0.626 | 22% | 0.222 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 121.2 | -178.6 | -68.7 | -172.7 | 178.6 | -177.7 | 0 | 110.7 | F49 V53 C54 | F49-K56 WeakPolarHBondContact CB-O 3.45Å; V53-K56 HydrophobicContact CG1-CB 4.12Å; V53-K56 HydrophobicContact CG1-CD 4.19Å; V53-K56 HydrophobicContact CG1-CG 4.07Å; V53-K56 PolarHBondContact O-N 3.3Å; C54-K56 VanDerWaalsContact C-N 3.33Å |
| 57 | F | 75.1 | Confident | 78.9 | Confident | 57 Ų | 57 | 42.8 Ų | 42.8 | 25% | 0.25 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 144.4 | 174.6 | -57.4 | -93 | 0 | 0 | 0 | 109.5 | L39 Y47 G48 F49 L1530 | L39-F57 HydrophobicContact CD1-CD1 3.71Å; L39-F57 HydrophobicContact CD1-CE1 3.74Å; Y47-F57 HydrophobicContact CE1-CB 4.35Å; Y47-F57 HydrophobicContact CE2-CB 4Å; Y47-F57 VanDerWaalsContact OH-CB 3.24Å; Y47-F57 WeakPolarHBondContact OH-CB 3.31Å; G48-F57 VanDerWaalsContact O-CA 3.29Å; G48-F57 WeakPolarHBondContact O-CA 3.4Å; F49-F57 HydrophobicContact CB-CD1 3.89Å; F49-F57 HydrophobicContact CB-CE1 4.07Å; F49-F57 AromaticContact CD1-CD1 3.81Å; F49-F57 HydrophobicContact CD1-CD1 3.81Å; F49-F57 AromaticContact CD1-CE1 3.38Å; F49-F57 HydrophobicContact CD1-CE1 3.38Å; F49-F57 HydrophobicContact CD1-CZ 4.35Å; F49-F57 HydrophobicContact CE1-CE1 4.07Å; F49-F57 HydrophobicContact CG-CD1 4.27Å; F49-F57 HydrophobicContact CG-CE1 4Å; F57-L1530 HydrophobicContact CE1-CD2 3.48Å; F57-L1530 VanDerWaalsContact CE1-CD2 3.48Å; F57-L1530 HydrophobicContact CZ-CD2 3.68Å |
| 58 | G | 83.9 | Confident | 77.7 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.6 | 169 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | D26 G48 | D26-G58 VanDerWaalsContact O-CA 3.22Å; D26-G58 WeakPolarHBondContact O-CA 3.3Å; G48-G58 PolarHBondContact N-O 3.28Å; G48-G58 VanDerWaalsContact N-O 3.09Å; G48-G58 PolarHBondContact O-N 3.03Å |
| 59 | V | 89 | Confident | 76.1 | Confident | 26 Ų | 26 | 55.7 Ų | 55.7 | 16% | 0.158 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 142.1 | 175.3 | -82.9 | 0 | 0 | 0 | 0 | 112.3 | W4 F20 D26 K27 L28 W45 F46 Y47 | W4-V59 HydrophobicContact CH2-CB 4.42Å; W4-V59 HydrophobicContact CH2-CG1 3.23Å; W4-V59 HydrophobicContact CZ2-CG1 3.27Å; W4-V59 HydrophobicContact CZ3-CG1 4.25Å; F20-V59 WeakPolarHBondContact CE1-O 3.2Å; D26-V59 VanDerWaalsContact O-CG2 3.23Å; D26-V59 WeakPolarHBondContact O-CG2 3.14Å; D26-V59 PolarHBondContact O-N 2.78Å; K27-V59 WeakPolarHBondContact CA-O 3.47Å; K27-V59 HydrophobicContact CG-CG2 3.79Å; L28-V59 PolarHBondContact N-O 3.29Å; W45-V59 HydrophobicContact CE3-CB 4.22Å; F46-V59 CarbonylContact O-C 3.55Å; F46-V59 VanDerWaalsContact O-CA 3.23Å; F46-V59 WeakPolarHBondContact O-CA 3.49Å; Y47-V59 HydrophobicContact CD2-CG1 3.91Å; Y47-V59 HydrophobicContact CG-CG1 4.46Å |
| 60 | F | 90.2 | Very high | 74.2 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 150.9 | 174.7 | 55.3 | -89.2 | 0 | 0 | 0 | 111.1 | F20 L28 I30 V36 I38 W45 F46 V65 | F20-F60 HydrophobicContact CD1-CB 3.99Å; F20-F60 HydrophobicContact CE1-CB 4.25Å; L28-F60 HydrophobicContact CB-CD1 4.08Å; L28-F60 HydrophobicContact CD2-CD1 3.79Å; L28-F60 HydrophobicContact CD2-CE1 3.88Å; I30-F60 HydrophobicContact CD1-CB 3.76Å; I30-F60 HydrophobicContact CD1-CD2 4.02Å; I30-F60 HydrophobicContact CD1-CG 4.02Å; V36-F60 HydrophobicContact CB-CZ 4.16Å; V36-F60 HydrophobicContact CG2-CE2 4.04Å; V36-F60 HydrophobicContact CG2-CZ 3.87Å; I38-F60 HydrophobicContact CG1-CE2 4.35Å; I38-F60 HydrophobicContact CG1-CZ 3.93Å; W45-F60 VanDerWaalsContact CE3-C 3.46Å; F46-F60 HydrophobicContact CB-CD2 3.99Å; F46-F60 HydrophobicContact CB-CE1 4.31Å; F46-F60 HydrophobicContact CB-CE2 3.52Å; F46-F60 HydrophobicContact CB-CZ 3.72Å; F46-F60 AromaticContact CD2-CE2 3.96Å; F46-F60 HydrophobicContact CD2-CE2 3.96Å; F46-F60 HydrophobicContact CG-CE2 4.21Å; F46-F60 PolarHBondContact N-O 3.29Å; F46-F60 PolarHBondContact O-N 2.93Å; F60-V65 HydrophobicContact CD2-CG1 3.97Å; F60-V65 HydrophobicContact CE2-CG1 3.6Å; F60-V65 HydrophobicContact CE2-CG2 4.16Å |
| 61 | P | 90.2 | Very high | 72.5 | Confident | 25 Ų | 25 | 67.9 Ų | 67.9 | 16% | 0.162 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 143.5 | -178.2 | -19.6 | 31.8 | 0 | 0 | 0 | 112.6 | F20 D44 W45 A63 C64 | F20-P61 HydrophobicContact CD2-CG 3.8Å; F20-P61 HydrophobicContact CE2-CG 3.78Å; F20-P61 HydrophobicContact CG-CG 4.33Å; F20-P61 HydrophobicContact CZ-CG 4.29Å; D44-P61 CarbonylContact O-C 3.57Å; D44-P61 WeakPolarHBondContact O-CA 3.08Å; W45-P61 HydrophobicContact CE3-CG 4.18Å; W45-P61 HydrophobicContact CH2-CG 3.86Å; W45-P61 HydrophobicContact CZ2-CG 4.5Å; W45-P61 HydrophobicContact CZ3-CG 3.69Å; P61-A63 PolarHBondContact O-N 3.05Å; P61-C64 WeakPolarHBondContact O-CB 3.28Å; P61-C64 PolarHBondContact O-N 3.36Å; P61-C64 VanDerWaalsContact O-N 3.08Å |
| 62 | K | 87.8 | Confident | 71.5 | Confident | 59 Ų | 59 | 70 Ų | 70 | 26% | 0.257 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -57.3 | -37.3 | 174.3 | -69.2 | -170.8 | 170.9 | 178.3 | 0 | 112.4 | E43 D44 F46 C64 V65 | E43-K62 VanDerWaalsContact O-CD 3.26Å; E43-K62 WeakPolarHBondContact O-CD 3.48Å; E43-K62 WeakPolarHBondContact O-CE 3.32Å; E43-K62 PolarHBondContact O-NZ 2.81Å; D44-K62 WeakPolarHBondContact O-CG 3.47Å; D44-K62 PolarHBondContact O-N 3.37Å; F46-K62 HydrophobicContact CD1-CD 4.49Å; F46-K62 HydrophobicContact CD1-CG 4.03Å; F46-K62 HydrophobicContact CD2-CB 4.08Å; F46-K62 HydrophobicContact CD2-CG 3.63Å; F46-K62 HydrophobicContact CE1-CD 3.99Å; F46-K62 HydrophobicContact CE1-CG 3.89Å; F46-K62 HydrophobicContact CE2-CB 3.81Å; F46-K62 HydrophobicContact CE2-CD 4.19Å; F46-K62 HydrophobicContact CE2-CG 3.48Å; F46-K62 VanDerWaalsContact CE2-CG 3.48Å; F46-K62 HydrophobicContact CG-CG 3.9Å; F46-K62 HydrophobicContact CZ-CB 4.29Å; F46-K62 HydrophobicContact CZ-CD 3.82Å; F46-K62 HydrophobicContact CZ-CG 3.61Å; K62-C64 PolarHBondContact O-N 3.16Å; K62-C64 VanDerWaalsContact O-N 3.13Å; K62-V65 VanDerWaalsContact O-CG2 3.31Å; K62-V65 WeakPolarHBondContact O-CG2 3.4Å; K62-V65 PolarHBondContact O-N 3.07Å |
| 63 | A | 86.5 | Confident | 71.1 | Confident | 78 Ų | 78 | 68 Ų | 68 | 65% | 0.645 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -65.5 | -12.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | N18 P61 | N18-A63 PolarHBondContact ND2-O 3.32Å; P61-A63 PolarHBondContact O-N 3.05Å |
| 64 | C | 88.7 | Confident | 70.5 | Confident | 12 Ų | 12 | 66.8 Ų | 66.8 | 8% | 0.081 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -83.9 | -12.7 | 177.9 | -68.5 | 0 | 0 | 0 | 0 | 113.5 | V16 V17 N18 I30 P61 K62 | V16-C64 CarbonylContact C-O 3.53Å; V16-C64 WeakPolarHBondContact CA-O 3.32Å; V17-C64 WeakPolarHBondContact CG2-O 3.33Å; V17-C64 PolarHBondContact N-O 2.73Å; N18-C64 PolarHBondContact N-O 3.02Å; N18-C64 VanDerWaalsContact N-O 3.13Å; N18-C64 WeakPolarHBondContact O-CB 3.46Å; I30-C64 HydrophobicContact CD1-CB 3.7Å; P61-C64 WeakPolarHBondContact O-CB 3.28Å; P61-C64 PolarHBondContact O-N 3.36Å; P61-C64 VanDerWaalsContact O-N 3.08Å; K62-C64 PolarHBondContact O-N 3.16Å; K62-C64 VanDerWaalsContact O-N 3.13Å |
| 65 | V | 86 | Confident | 70.5 | Confident | 14 Ų | 14 | 66.8 Ų | 66.8 | 9% | 0.085 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 146.8 | -174.2 | -65.6 | 0 | 0 | 0 | 0 | 112 | A14 V15 V16 V36 I38 F46 F60 K62 | A14-V65 HydrophobicContact CB-CB 3.83Å; A14-V65 HydrophobicContact CB-CG1 4.41Å; A14-V65 HydrophobicContact CB-CG2 4.24Å; V15-V65 CarbonylContact O-C 3.59Å; V15-V65 WeakPolarHBondContact O-CA 3.49Å; V16-V65 HydrophobicContact CG2-CG1 4.04Å; V36-V65 HydrophobicContact CG2-CG1 3.56Å; I38-V65 HydrophobicContact CD1-CG2 4.4Å; F46-V65 HydrophobicContact CD2-CG2 3.53Å; F46-V65 HydrophobicContact CE2-CG2 3.53Å; F60-V65 HydrophobicContact CD2-CG1 3.97Å; F60-V65 HydrophobicContact CE2-CG1 3.6Å; F60-V65 HydrophobicContact CE2-CG2 4.16Å; K62-V65 VanDerWaalsContact O-CG2 3.31Å; K62-V65 WeakPolarHBondContact O-CG2 3.4Å; K62-V65 PolarHBondContact O-N 3.07Å |
| 66 | A | 81.1 | Confident | 70.8 | Confident | 42 Ų | 42 | 63.1 Ų | 63.1 | 35% | 0.347 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 131 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | V15 V17 | V15-A66 PolarHBondContact N-O 2.89Å; V15-A66 PolarHBondContact O-N 3.31Å; V17-A66 HydrophobicContact CG1-CB 3.53Å; V17-A66 HydrophobicContact CG2-CB 4.23Å |
| 67 | F | 73.4 | Confident | 70.7 | Confident | 74 Ų | 74 | 57.9 Ų | 57.9 | 33% | 0.325 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 133.2 | 173.7 | -65.4 | -84.2 | 0 | 0 | 0 | 109.8 | Y7 I11 A14 I38 F46 R69 | Y7-F67 HydrophobicContact CE1-CE1 4.21Å; Y7-F67 HydrophobicContact CE1-CZ 4.39Å; Y7-F67 HydrophobicContact CE2-CZ 4.31Å; Y7-F67 AromaticContact CZ-CE1 3.95Å; Y7-F67 AromaticContact CZ-CZ 3.69Å; Y7-F67 WeakPolarHBondContact OH-CE1 3.09Å; Y7-F67 WeakPolarHBondContact OH-CZ 3.37Å; I11-F67 HydrophobicContact CG2-CD1 4.22Å; A14-F67 HydrophobicContact CB-CD1 4.02Å; A14-F67 HydrophobicContact CB-CE1 4.16Å; A14-F67 HydrophobicContact CB-CG 4.47Å; I38-F67 HydrophobicContact CD1-CE1 3.48Å; I38-F67 VanDerWaalsContact CD1-CE1 3.48Å; I38-F67 HydrophobicContact CD1-CE2 4.48Å; I38-F67 HydrophobicContact CD1-CZ 3.41Å; I38-F67 VanDerWaalsContact CD1-CZ 3.41Å; F46-F67 HydrophobicContact CE2-CE2 4.07Å; F46-F67 AromaticContact CE2-CZ 3.94Å; F46-F67 HydrophobicContact CE2-CZ 3.94Å; F46-F67 AromaticContact CZ-CE2 3.9Å; F46-F67 HydrophobicContact CZ-CE2 3.9Å; F46-F67 AromaticContact CZ-CZ 3.66Å; F46-F67 HydrophobicContact CZ-CZ 3.66Å; F67-R69 PolarHBondContact O-N 3.33Å |
| 68 | K | 60.6 | Low | 70.2 | Confident | 97 Ų | 97 | 55.4 Ų | 55.4 | 42% | 0.422 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 123 | 172.6 | -84 | 163.3 | 169.2 | 150.2 | 0 | 107.4 | V15 D35 | V15-K68 HydrophobicContact CG2-CD 3.88Å; V15-K68 HydrophobicContact CG2-CG 3.96Å; D35-K68 IonicContact OD1-NZ 2.88Å; D35-K68 PolarHBondContact OD1-NZ 3.12Å; D35-K68 IonicContact OD2-NZ 3.17Å |
| 69 | R | 50.9 | Low | 69.7 | Low | 241 Ų | 241 | 55.4 Ų | 55.4 | 91% | 0.909 | 29% | 0.294 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 140.5 | 178.1 | -86.2 | -178 | 175.3 | 163.2 | -1.2 | 110.5 | F67 D71 | F67-R69 PolarHBondContact O-N 3.33Å; R69-D71 PolarHBondContact O-N 3.45Å |
| 70 | E | 41.5 | Very low | 69 | Low | 166 Ų | 166 | 54.9 Ų | 54.9 | 78% | 0.776 | 29% | 0.29 | S | S | * | . | trans | -48.7 | 104.3 | -171.8 | -62.6 | 171.1 | 151.5 | 0 | 0 | 114.2 | I11 | I11-E70 HydrophobicContact CD1-CG 4.22Š| ||
| 71 | D | 46.4 | Very low | 68.1 | Low | 120 Ų | 120 | 57.6 Ų | 57.6 | 64% | 0.642 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -146.4 | 94.5 | 160.8 | -80.6 | -43.4 | 0 | 0 | 0 | 108.3 | R69 | R69-D71 PolarHBondContact O-N 3.45Š|
| 72 | L | 47.8 | Very low | 67.4 | Low | 51 Ų | 51 | 56.8 Ų | 56.8 | 27% | 0.267 | 30% | 0.297 | S | S | . | . | S | Bend | trans | 60.8 | 102.4 | 175.8 | -65.5 | 123.1 | 0 | 0 | 0 | 116.4 | L116 L129 | L72-L116 HydrophobicContact CD1-CB 3.52Å; L72-L116 HydrophobicContact CD2-CB 3.67Å; L72-L116 HydrophobicContact CD2-CD1 4Å; L72-L116 HydrophobicContact CD2-CD2 4.12Å; L72-L116 HydrophobicContact CD2-CG 4.15Å; L72-L116 HydrophobicContact CG-CB 4.23Å; L72-L129 HydrophobicContact CD2-CD2 3.99Å |
| 73 | S | 55.2 | Low | 67 | Low | 68 Ų | 68 | 54 Ų | 54 | 48% | 0.476 | 29% | 0.285 | S | S | . | . | trans | 20.1 | 104.9 | 168.8 | 61.2 | 0 | 0 | 0 | 0 | 116 | G75 V76 | S73-G75 PolarHBondContact O-N 2.94Å; S73-V76 PolarHBondContact O-N 3.04Å; S73-V76 WeakPolarHBondContact OG-CG2 3.41Å | ||
| 74 | D | 54.3 | Low | 66.6 | Low | 36 Ų | 36 | 53.1 Ų | 53.1 | 19% | 0.193 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -47.7 | -29 | 177.6 | -67.3 | -43.4 | 0 | 0 | 0 | 114.2 | I11 V76 S77 A78 | I11-D74 WeakPolarHBondContact CG1-OD2 3.1Å; I11-D74 WeakPolarHBondContact CG2-OD2 3.47Å; D74-V76 PolarHBondContact O-N 3.37Å; D74-S77 WeakPolarHBondContact O-CB 3.42Å; D74-S77 PolarHBondContact O-N 2.93Å; D74-A78 PolarHBondContact O-N 2.96Å |
| 75 | G | 61.6 | Low | 65.9 | Low | 14 Ų | 14 | 56.1 Ų | 56.1 | 14% | 0.144 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -51.9 | -46.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | S73 S77 A78 E79 Y156 | S73-G75 PolarHBondContact O-N 2.94Å; G75-S77 VanDerWaalsContact C-N 3.3Å; G75-S77 PolarHBondContact O-N 3.38Å; G75-A78 PolarHBondContact O-N 3.19Å; G75-E79 WeakPolarHBondContact O-CG 3.49Å; G75-E79 PolarHBondContact O-N 3.35Å; G75-Y156 WeakPolarHBondContact CA-OH 3.47Å; G75-Y156 PolarHBondContact O-OH 3.09Å |
| 76 | V | 67.8 | Low | 65.5 | Low | 2 Ų | 2 | 59.4 Ų | 59.4 | 1% | 0.012 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.5 | -40.4 | 178.9 | 169.8 | 0 | 0 | 0 | 0 | 110.6 | S73 D74 E79 L80 L132 M136 | S73-V76 PolarHBondContact O-N 3.04Å; S73-V76 WeakPolarHBondContact OG-CG2 3.41Å; D74-V76 PolarHBondContact O-N 3.37Å; V76-E79 PolarHBondContact O-N 3.36Å; V76-L80 HydrophobicContact CG1-CD1 4.21Å; V76-L80 WeakPolarHBondContact O-CB 3.42Å; V76-L80 WeakPolarHBondContact O-CG 3.21Å; V76-L80 PolarHBondContact O-N 3.17Å; V76-L132 HydrophobicContact CG1-CD2 3.92Å; V76-L132 HydrophobicContact CG2-CD2 4.49Å; V76-M136 HydrophobicContact CG1-CE 4.18Å; V76-M136 HydrophobicContact CG1-SD 3.92Å; V76-M136 HydrophobicContact CG2-SD 4.43Å |
| 77 | S | 65.9 | Low | 65.3 | Low | 34 Ų | 34 | 58 Ų | 58 | 24% | 0.238 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.4 | -45 | 176.8 | -62.5 | 0 | 0 | 0 | 0 | 111.7 | D74 G75 L80 Q81 K113 | D74-S77 WeakPolarHBondContact O-CB 3.42Å; D74-S77 PolarHBondContact O-N 2.93Å; G75-S77 VanDerWaalsContact C-N 3.3Å; G75-S77 PolarHBondContact O-N 3.38Å; S77-L80 WeakPolarHBondContact O-CB 3.25Å; S77-L80 PolarHBondContact O-N 3.13Å; S77-Q81 PolarHBondContact O-N 2.84Å; S77-K113 PolarHBondContact OG-NZ 3.22Å |
| 78 | A | 65.5 | Low | 65.4 | Low | 4 Ų | 4 | 59.1 Ų | 59.1 | 3% | 0.033 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66 | -38.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | D74 G75 Q81 M82 V1521 | D74-A78 PolarHBondContact O-N 2.96Å; G75-A78 PolarHBondContact O-N 3.19Å; A78-Q81 PolarHBondContact O-N 2.88Å; A78-M82 PolarHBondContact O-N 2.97Å; A78-V1521 HydrophobicContact CB-CG2 3.55Å; A78-V1521 WeakPolarHBondContact O-CG2 3.26Å |
| 79 | E | 73.4 | Confident | 66 | Low | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.1 | -40.6 | 174.2 | -75.6 | -175.8 | -121.6 | 0 | 0 | 112.9 | G75 V76 Q81 M82 M83 M136 Q140 I148 R150 Y156 V1521 | G75-E79 WeakPolarHBondContact O-CG 3.49Å; G75-E79 PolarHBondContact O-N 3.35Å; V76-E79 PolarHBondContact O-N 3.36Å; E79-Q81 VanDerWaalsContact C-N 3.32Å; E79-M82 WeakPolarHBondContact O-CB 3.42Å; E79-M82 PolarHBondContact O-N 3.26Å; E79-M83 HydrophobicContact CB-CE 4.14Å; E79-M83 WeakPolarHBondContact O-CG 3.28Å; E79-M83 PolarHBondContact O-N 2.98Å; E79-M136 HydrophobicContact CB-CE 3.43Å; E79-M136 VanDerWaalsContact CB-CE 3.43Å; E79-M136 HydrophobicContact CG-CE 4.19Å; E79-M136 WeakPolarHBondContact OE2-CE 3.31Å; E79-Q140 PolarHBondContact OE2-NE2 2.85Å; E79-I148 HydrophobicContact CG-CD1 3.83Å; E79-R150 IonicContact OE1-CZ 2.63Å; E79-R150 IonicContact OE1-NE 2.78Å; E79-R150 IonicContact OE1-NH2 3.59Å; E79-R150 PolarHBondContact OE1-NH2 3.38Å; E79-R150 IonicContact OE2-CZ 3.92Å; E79-R150 IonicContact OE2-NH2 2.61Å; E79-R150 PolarHBondContact OE2-NH2 3.38Å; E79-Y156 WeakPolarHBondContact OE1-CE1 3.37Å; E79-Y156 VanDerWaalsContact OE1-CZ 3.28Å; E79-Y156 PolarHBondContact OE1-OH 3.5Å; E79-V1521 HydrophobicContact CG-CG1 3.81Å |
| 80 | L | 74.2 | Confident | 67 | Low | 15 Ų | 15 | 47.2 Ų | 47.2 | 8% | 0.079 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.1 | -43.1 | 174.4 | -82.9 | 171.3 | 0 | 0 | 0 | 111.3 | V76 S77 M83 V84 L106 V109 V110 K113 | V76-L80 HydrophobicContact CG1-CD1 4.21Å; V76-L80 WeakPolarHBondContact O-CB 3.42Å; V76-L80 WeakPolarHBondContact O-CG 3.21Å; V76-L80 PolarHBondContact O-N 3.17Å; S77-L80 WeakPolarHBondContact O-CB 3.25Å; S77-L80 PolarHBondContact O-N 3.13Å; L80-M83 WeakPolarHBondContact O-CB 3.44Å; L80-M83 PolarHBondContact O-N 2.98Å; L80-V84 VanDerWaalsContact O-CG2 3.3Å; L80-V84 WeakPolarHBondContact O-CG2 3.38Å; L80-V84 PolarHBondContact O-N 3.31Å; L80-L106 HydrophobicContact CD2-CD1 3.66Å; L80-V109 HydrophobicContact CD2-CB 4.32Å; L80-V109 HydrophobicContact CD2-CG1 3.58Å; L80-V109 HydrophobicContact CG-CG1 4.43Å; L80-V110 HydrophobicContact CD2-CG2 4.46Å; L80-K113 HydrophobicContact CD1-CD 3.65Å |
| 81 | Q | 71.2 | Confident | 68.7 | Low | 58 Ų | 58 | 44 Ų | 44 | 27% | 0.271 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.8 | -42.8 | 177.1 | -171.3 | 164.4 | -4.9 | 0 | 0 | 111.5 | D35 M51 S77 A78 E79 M83 V84 E85 | D35-Q81 PolarHBondContact OD2-NE2 3.29Å; D35-Q81 PolarHBondContact OD2-OE1 3.16Å; M51-Q81 HydrophobicContact CE-CB 3.8Å; M51-Q81 HydrophobicContact CE-CG 3.63Å; M51-Q81 HydrophobicContact SD-CG 4.2Å; S77-Q81 PolarHBondContact O-N 2.84Å; A78-Q81 PolarHBondContact O-N 2.88Å; E79-Q81 VanDerWaalsContact C-N 3.32Å; Q81-M83 VanDerWaalsContact C-N 3.33Å; Q81-M83 PolarHBondContact O-N 3.26Å; Q81-V84 PolarHBondContact O-N 3.47Å; Q81-V84 VanDerWaalsContact O-N 3.14Å; Q81-E85 PolarHBondContact O-N 2.72Å |
| 82 | M | 74.9 | Confident | 69.9 | Low | 7 Ų | 7 | 44 Ų | 44 | 3% | 0.034 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57 | -42.4 | 171.6 | 176.5 | -174.5 | 71.4 | 0 | 0 | 112.5 | A78 E79 K86 L145 P1519 | A78-M82 PolarHBondContact O-N 2.97Å; E79-M82 WeakPolarHBondContact O-CB 3.42Å; E79-M82 PolarHBondContact O-N 3.26Å; M82-K86 PolarHBondContact O-N 2.82Å; M82-L145 HydrophobicContact CE-CB 4.42Å; M82-L145 HydrophobicContact CE-CD1 4.14Å; M82-L145 HydrophobicContact CE-CD2 4.45Å; M82-L145 HydrophobicContact CG-CD1 4.49Å; M82-L145 HydrophobicContact CG-CD2 4.16Å; M82-L145 HydrophobicContact SD-CD2 4.26Å; M82-P1519 HydrophobicContact CG-CB 3.98Å; M82-P1519 HydrophobicContact SD-CB 3.45Å; M82-P1519 WeakPolarHBondContact SD-CB 3.36Å; M82-P1519 HydrophobicContact SD-CG 4Å |
| 83 | M | 79.7 | Confident | 71 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.1 | -39.9 | 176 | -68.3 | -179.3 | -125 | 0 | 0 | 112 | E79 L80 Q81 K86 L87 L106 M136 V139 Q140 L143 L145 | E79-M83 HydrophobicContact CB-CE 4.14Å; E79-M83 WeakPolarHBondContact O-CG 3.28Å; E79-M83 PolarHBondContact O-N 2.98Å; L80-M83 WeakPolarHBondContact O-CB 3.44Å; L80-M83 PolarHBondContact O-N 2.98Å; Q81-M83 VanDerWaalsContact C-N 3.33Å; Q81-M83 PolarHBondContact O-N 3.26Å; M83-K86 PolarHBondContact O-N 2.65Å; M83-L87 WeakPolarHBondContact O-CG 3.26Å; M83-L87 PolarHBondContact O-N 3.3Å; M83-L87 VanDerWaalsContact O-N 3.1Å; M83-L106 HydrophobicContact CB-CD1 4.14Å; M83-L106 HydrophobicContact SD-CD1 4.13Å; M83-M136 HydrophobicContact CE-CB 4.06Å; M83-M136 HydrophobicContact CE-CE 3.63Å; M83-M136 HydrophobicContact CE-CG 4.09Å; M83-V139 HydrophobicContact CG-CG1 4.42Å; M83-V139 HydrophobicContact SD-CB 3.94Å; M83-V139 HydrophobicContact SD-CG1 3.55Å; M83-V139 VanDerWaalsContact SD-CG1 3.55Å; M83-Q140 HydrophobicContact CE-CG 3.9Å; M83-Q140 HydrophobicContact CG-CG 4.39Å; M83-Q140 HydrophobicContact SD-CG 4.17Å; M83-L143 HydrophobicContact CB-CD1 3.9Å; M83-L143 HydrophobicContact CG-CD1 4.1Å; M83-L145 HydrophobicContact CB-CD1 4.44Å; M83-L145 HydrophobicContact CG-CD1 3.79Å |
| 84 | V | 79.1 | Confident | 72 | Confident | 61 Ų | 61 | 43.4 Ų | 43.4 | 37% | 0.37 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65.4 | -46.2 | 177.6 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | L80 Q81 K86 L87 I88 L106 | L80-V84 VanDerWaalsContact O-CG2 3.3Å; L80-V84 WeakPolarHBondContact O-CG2 3.38Å; L80-V84 PolarHBondContact O-N 3.31Å; Q81-V84 PolarHBondContact O-N 3.47Å; Q81-V84 VanDerWaalsContact O-N 3.14Å; V84-K86 VanDerWaalsContact C-N 3.27Å; V84-K86 PolarHBondContact O-N 2.6Å; V84-L87 WeakPolarHBondContact O-CB 3.48Å; V84-L87 PolarHBondContact O-N 3.24Å; V84-L87 VanDerWaalsContact O-N 3.08Å; V84-I88 HydrophobicContact CG1-CD1 3.85Å; V84-I88 HydrophobicContact CG1-CG1 4.36Å; V84-I88 WeakPolarHBondContact O-CG1 3.4Å; V84-I88 PolarHBondContact O-N 3.44Å; V84-L106 HydrophobicContact CG2-CD2 3.74Å |
| 85 | E | 74.2 | Confident | 72.8 | Confident | 75 Ų | 75 | 47 Ų | 47 | 35% | 0.35 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -57.6 | -41 | 175.8 | -77.6 | 176.2 | -168.1 | 0 | 0 | 111.8 | Q81 L87 I88 S89 | Q81-E85 PolarHBondContact O-N 2.72Å; E85-L87 VanDerWaalsContact C-N 3.35Å; E85-L87 PolarHBondContact O-N 2.99Å; E85-I88 PolarHBondContact O-N 3.36Å; E85-S89 PolarHBondContact O-N 3.06Å |
| 86 | K | 76.7 | Confident | 73.4 | Confident | 83 Ų | 83 | 52.7 Ų | 52.7 | 36% | 0.361 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.7 | -39.9 | 175.9 | -172 | 60.8 | 172.1 | -170.4 | 0 | 112 | M82 M83 V84 S89 M90 L143 | M82-K86 PolarHBondContact O-N 2.82Å; M83-K86 PolarHBondContact O-N 2.65Å; V84-K86 VanDerWaalsContact C-N 3.27Å; V84-K86 PolarHBondContact O-N 2.6Å; K86-S89 WeakPolarHBondContact O-CB 3.25Å; K86-S89 PolarHBondContact O-N 3.49Å; K86-M90 WeakPolarHBondContact O-CG 3.45Å; K86-M90 PolarHBondContact O-N 3.06Å; K86-L143 HydrophobicContact CG-CB 4.44Å |
| 87 | L | 77.5 | Confident | 73.6 | Confident | 12 Ų | 12 | 55.3 Ų | 55.3 | 6% | 0.063 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.2 | -41.5 | 174.3 | -73.8 | 170.7 | 0 | 0 | 0 | 112.2 | M83 V84 E85 S89 M90 F91 M99 H102 L106 L143 | M83-L87 WeakPolarHBondContact O-CG 3.26Å; M83-L87 PolarHBondContact O-N 3.3Å; M83-L87 VanDerWaalsContact O-N 3.1Å; V84-L87 WeakPolarHBondContact O-CB 3.48Å; V84-L87 PolarHBondContact O-N 3.24Å; V84-L87 VanDerWaalsContact O-N 3.08Å; E85-L87 VanDerWaalsContact C-N 3.35Å; E85-L87 PolarHBondContact O-N 2.99Å; L87-S89 VanDerWaalsContact C-N 3.32Å; L87-S89 PolarHBondContact O-N 3.3Å; L87-M90 WeakPolarHBondContact O-CB 3.27Å; L87-M90 PolarHBondContact O-N 3.09Å; L87-M90 VanDerWaalsContact O-N 3.13Å; L87-F91 PolarHBondContact O-N 3.3Å; L87-M99 HydrophobicContact CD2-CG 4.1Å; L87-H102 HydrophobicContact CD2-CB 3.77Å; L87-L106 HydrophobicContact CD1-CB 4.48Å; L87-L106 HydrophobicContact CD1-CD2 3.49Å; L87-L106 VanDerWaalsContact CD1-CD2 3.49Å; L87-L143 HydrophobicContact CD2-CD2 3.85Å; L87-L143 HydrophobicContact CG-CD1 4.48Å; L87-L143 HydrophobicContact CG-CD2 4.3Å |
| 88 | I | 76.3 | Confident | 73.7 | Confident | 97 Ų | 97 | 58.4 Ų | 58.4 | 50% | 0.497 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.2 | -43.6 | 175 | -66.2 | 167.6 | 0 | 0 | 0 | 109.9 | V84 E85 M90 F91 V92 | V84-I88 HydrophobicContact CG1-CD1 3.85Å; V84-I88 HydrophobicContact CG1-CG1 4.36Å; V84-I88 WeakPolarHBondContact O-CG1 3.4Å; V84-I88 PolarHBondContact O-N 3.44Å; E85-I88 PolarHBondContact O-N 3.36Å; I88-M90 VanDerWaalsContact C-N 3.29Å; I88-M90 PolarHBondContact O-N 3.1Å; I88-F91 VanDerWaalsContact O-CB 3.32Å; I88-F91 WeakPolarHBondContact O-CB 3.4Å; I88-F91 PolarHBondContact O-N 2.91Å; I88-F91 VanDerWaalsContact O-N 3.11Å; I88-V92 HydrophobicContact CG2-CG2 4.37Å; I88-V92 WeakPolarHBondContact O-CG2 3.45Å; I88-V92 PolarHBondContact O-N 3.03Å |
| 89 | S | 71.7 | Confident | 74.1 | Confident | 68 Ų | 68 | 60 Ų | 60 | 48% | 0.476 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60 | -38.3 | 174.1 | -179.7 | 0 | 0 | 0 | 0 | 112.5 | E85 K86 L87 S93 | E85-S89 PolarHBondContact O-N 3.06Å; K86-S89 WeakPolarHBondContact O-CB 3.25Å; K86-S89 PolarHBondContact O-N 3.49Å; L87-S89 VanDerWaalsContact C-N 3.32Å; L87-S89 PolarHBondContact O-N 3.3Å; S89-S93 WeakPolarHBondContact O-CB 3.26Å; S89-S93 PolarHBondContact O-N 3.18Å; S89-S93 PolarHBondContact O-OG 2.89Å |
| 90 | M | 73.3 | Confident | 74.1 | Confident | 20 Ų | 20 | 63.4 Ų | 63.4 | 10% | 0.099 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -67.5 | -35.3 | 174 | -71.4 | 177.2 | 65.1 | 0 | 0 | 112.9 | K86 L87 I88 S93 G94 K95 R98 L143 | K86-M90 WeakPolarHBondContact O-CG 3.45Å; K86-M90 PolarHBondContact O-N 3.06Å; L87-M90 WeakPolarHBondContact O-CB 3.27Å; L87-M90 PolarHBondContact O-N 3.09Å; L87-M90 VanDerWaalsContact O-N 3.13Å; I88-M90 VanDerWaalsContact C-N 3.29Å; I88-M90 PolarHBondContact O-N 3.1Å; M90-S93 WeakPolarHBondContact CA-OG 3.47Å; M90-S93 PolarHBondContact O-OG 2.79Å; M90-S93 VanDerWaalsContact O-OG 3.13Å; M90-G94 PolarHBondContact O-N 3.4Å; M90-K95 PolarHBondContact O-N 3Å; M90-R98 HydrophobicContact CE-CB 3.44Å; M90-R98 VanDerWaalsContact CE-CB 3.44Å; M90-L143 HydrophobicContact SD-CD2 4.04Å |
| 91 | F | 75.4 | Confident | 73.8 | Confident | 100 Ų | 100 | 70.2 Ų | 70.2 | 44% | 0.439 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.9 | -51.9 | 173.1 | -178.1 | -101.8 | 0 | 0 | 0 | 111.3 | L87 I88 S93 G94 Y96 M99 | L87-F91 PolarHBondContact O-N 3.3Å; I88-F91 VanDerWaalsContact O-CB 3.32Å; I88-F91 WeakPolarHBondContact O-CB 3.4Å; I88-F91 PolarHBondContact O-N 2.91Å; I88-F91 VanDerWaalsContact O-N 3.11Å; F91-S93 PolarHBondContact O-N 3.43Å; F91-G94 PolarHBondContact O-N 3.35Å; F91-Y96 HydrophobicContact CD2-CD1 4.04Å; F91-Y96 AromaticContact CD2-CE1 3.62Å; F91-Y96 HydrophobicContact CD2-CE1 3.62Å; F91-Y96 HydrophobicContact CE2-CD1 4.12Å; F91-Y96 AromaticContact CE2-CE1 3.43Å; F91-Y96 HydrophobicContact CE2-CE1 3.43Å; F91-Y96 VanDerWaalsContact CE2-CE1 3.43Å; F91-Y96 HydrophobicContact CZ-CE1 4.22Å; F91-M99 HydrophobicContact CB-SD 3.58Å; F91-M99 VanDerWaalsContact CB-SD 3.58Å; F91-M99 HydrophobicContact CD2-CE 3.78Å; F91-M99 HydrophobicContact CD2-SD 3.66Å; F91-M99 HydrophobicContact CE2-CE 4.47Å; F91-M99 HydrophobicContact CG-SD 4.08Å |
| 92 | V | 73.1 | Confident | 73.9 | Confident | 118 Ų | 118 | 68.7 Ų | 68.7 | 72% | 0.715 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -61.4 | -33.7 | -179.6 | 175.3 | 0 | 0 | 0 | 0 | 111.4 | I88 G94 | I88-V92 HydrophobicContact CG2-CG2 4.37Å; I88-V92 WeakPolarHBondContact O-CG2 3.45Å; I88-V92 PolarHBondContact O-N 3.03Å; V92-G94 VanDerWaalsContact C-N 3.27Å; V92-G94 PolarHBondContact O-N 2.91Å |
| 93 | S | 71.1 | Confident | 73.9 | Confident | 68 Ų | 68 | 70.9 Ų | 70.9 | 48% | 0.476 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 3.6 | 174.8 | 58.6 | 0 | 0 | 0 | 0 | 114.9 | S89 M90 F91 K95 | S89-S93 WeakPolarHBondContact O-CB 3.26Å; S89-S93 PolarHBondContact O-N 3.18Å; S89-S93 PolarHBondContact O-OG 2.89Å; M90-S93 WeakPolarHBondContact CA-OG 3.47Å; M90-S93 PolarHBondContact O-OG 2.79Å; M90-S93 VanDerWaalsContact O-OG 3.13Å; F91-S93 PolarHBondContact O-N 3.43Å; S93-K95 PolarHBondContact O-N 2.94Å |
| 94 | G | 74.9 | Confident | 73.4 | Confident | 40 Ų | 40 | 76.5 Ų | 76.5 | 41% | 0.412 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.9 | 15.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | M90 F91 V92 Y96 | M90-G94 PolarHBondContact O-N 3.4Å; F91-G94 PolarHBondContact O-N 3.35Å; V92-G94 VanDerWaalsContact C-N 3.27Å; V92-G94 PolarHBondContact O-N 2.91Å; G94-Y96 VanDerWaalsContact C-N 3.27Å; G94-Y96 VanDerWaalsContact O-CD2 3.26Å; G94-Y96 WeakPolarHBondContact O-CD2 3.27Å; G94-Y96 PolarHBondContact O-N 3.06Å; G94-Y96 VanDerWaalsContact O-N 3.11Å |
| 95 | K | 71.3 | Confident | 72.9 | Confident | 110 Ų | 110 | 74.2 Ų | 74.2 | 48% | 0.478 | 40% | 0.399 | S | S | . | . | trans | -86.5 | 49.8 | -178.3 | -63.2 | -177.2 | -179.1 | 179.8 | 0 | 112.8 | M90 S93 G97 R98 M99 | M90-K95 PolarHBondContact O-N 3Å; S93-K95 PolarHBondContact O-N 2.94Å; K95-G97 PolarHBondContact O-N 2.92Å; K95-R98 PolarHBondContact O-N 2.82Å; K95-M99 PolarHBondContact O-N 2.83Å | ||
| 96 | Y | 75 | Confident | 72.9 | Confident | 135 Ų | 135 | 71.5 Ų | 71.5 | 53% | 0.529 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -55.3 | -41.7 | -172 | -61.8 | -82.4 | 0 | 0 | 0 | 114.7 | F91 G94 M99 S100 | F91-Y96 HydrophobicContact CD2-CD1 4.04Å; F91-Y96 AromaticContact CD2-CE1 3.62Å; F91-Y96 HydrophobicContact CD2-CE1 3.62Å; F91-Y96 HydrophobicContact CE2-CD1 4.12Å; F91-Y96 AromaticContact CE2-CE1 3.43Å; F91-Y96 HydrophobicContact CE2-CE1 3.43Å; F91-Y96 VanDerWaalsContact CE2-CE1 3.43Å; F91-Y96 HydrophobicContact CZ-CE1 4.22Å; G94-Y96 VanDerWaalsContact C-N 3.27Å; G94-Y96 VanDerWaalsContact O-CD2 3.26Å; G94-Y96 WeakPolarHBondContact O-CD2 3.27Å; G94-Y96 PolarHBondContact O-N 3.06Å; G94-Y96 VanDerWaalsContact O-N 3.11Å; Y96-M99 HydrophobicContact CD1-CE 4.49Å; Y96-M99 PolarHBondContact O-N 3.36Å; Y96-S100 PolarHBondContact O-N 3.5Å |
| 97 | G | 72.1 | Confident | 72.8 | Confident | 56 Ų | 56 | 76.4 Ų | 76.4 | 58% | 0.577 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -66 | -38.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | K95 | K95-G97 PolarHBondContact O-N 2.92Å |
| 98 | R | 68.1 | Low | 72.5 | Confident | 100 Ų | 100 | 76.8 Ų | 76.8 | 38% | 0.377 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -69.5 | -46.3 | 171.9 | -72.5 | -172.8 | -179.5 | -173.6 | -4.4 | 109.3 | M90 K95 S100 K101 H102 E1425 | M90-R98 HydrophobicContact CE-CB 3.44Å; M90-R98 VanDerWaalsContact CE-CB 3.44Å; K95-R98 PolarHBondContact O-N 2.82Å; R98-S100 PolarHBondContact O-N 2.85Å; R98-K101 PolarHBondContact O-N 2.53Å; R98-H102 PolarHBondContact O-N 2.98Å; R98-H102 PolarHBondContact O-ND1 3.29Å; R98-E1425 IonicContact CZ-OE2 3.99Å; R98-E1425 IonicContact NH1-OE1 2.99Å; R98-E1425 IonicContact NH1-OE2 3.94Å; R98-E1425 PolarHBondContact NH1-OE2 3.4Å; R98-E1425 IonicContact NH2-OE1 3.77Å; R98-E1425 IonicContact NH2-OE2 3.91Å; R98-E1425 PolarHBondContact NH2-OE2 3.5Å |
| 99 | M | 73.1 | Confident | 72.3 | Confident | 38 Ų | 38 | 72.1 Ų | 72.1 | 19% | 0.187 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -54.7 | -49.9 | -179.3 | -174.3 | -168.6 | 75.3 | 0 | 0 | 112.8 | L87 F91 K95 Y96 K101 H102 C103 | L87-M99 HydrophobicContact CD2-CG 4.1Å; F91-M99 HydrophobicContact CB-SD 3.58Å; F91-M99 VanDerWaalsContact CB-SD 3.58Å; F91-M99 HydrophobicContact CD2-CE 3.78Å; F91-M99 HydrophobicContact CD2-SD 3.66Å; F91-M99 HydrophobicContact CE2-CE 4.47Å; F91-M99 HydrophobicContact CG-SD 4.08Å; K95-M99 PolarHBondContact O-N 2.83Å; Y96-M99 HydrophobicContact CD1-CE 4.49Å; Y96-M99 PolarHBondContact O-N 3.36Å; M99-K101 VanDerWaalsContact C-N 3.3Å; M99-K101 PolarHBondContact O-N 2.96Å; M99-H102 PolarHBondContact O-N 3.49Å; M99-C103 PolarHBondContact O-N 3.43Å; M99-C103 PolarHBondContact O-SG 3.44Å; M99-C103 VanDerWaalsContact O-SG 3.33Å |
| 100 | S | 74.2 | Confident | 72.3 | Confident | 70 Ų | 70 | 71.5 Ų | 71.5 | 49% | 0.49 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -56.1 | -41.6 | -178.7 | -179.8 | 0 | 0 | 0 | 0 | 113 | Y96 R98 H102 | Y96-S100 PolarHBondContact O-N 3.5Å; R98-S100 PolarHBondContact O-N 2.85Å; S100-H102 PolarHBondContact O-N 3.3Å |
| 101 | K | 67.5 | Low | 72.3 | Confident | 158 Ų | 158 | 72.3 Ų | 72.3 | 69% | 0.687 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -62.8 | -39.1 | 176.5 | -69.6 | -175.8 | 178.9 | -174.3 | 0 | 113 | R98 M99 | R98-K101 PolarHBondContact O-N 2.53Å; M99-K101 VanDerWaalsContact C-N 3.3Å; M99-K101 PolarHBondContact O-N 2.96Å |
| 102 | H | 72.3 | Confident | 72 | Confident | 27 Ų | 27 | 68.5 Ų | 68.5 | 13% | 0.125 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -81.8 | -30.8 | -177.8 | -63.3 | 89.3 | 0 | 0 | 0 | 112.7 | L87 R98 M99 S100 M104 A105 L106 K142 L143 | L87-H102 HydrophobicContact CD2-CB 3.77Å; R98-H102 PolarHBondContact O-N 2.98Å; R98-H102 PolarHBondContact O-ND1 3.29Å; M99-H102 PolarHBondContact O-N 3.49Å; S100-H102 PolarHBondContact O-N 3.3Å; H102-M104 VanDerWaalsContact C-N 3.28Å; H102-M104 PolarHBondContact O-N 3.21Å; H102-A105 PolarHBondContact O-N 2.84Å; H102-L106 PolarHBondContact O-N 2.75Å; H102-L106 VanDerWaalsContact O-N 3.07Å; H102-K142 VanDerWaalsContact CD2-CB 3.44Å; H102-K142 WeakPolarHBondContact CD2-CB 3.34Å; H102-K142 WeakPolarHBondContact NE2-CB 3.07Å; H102-K142 PolarHBondContact NE2-O 3.47Å; H102-K142 VanDerWaalsContact NE2-O 3.08Å; H102-L143 HydrophobicContact CB-CD2 3.9Å |
| 103 | C | 75.6 | Confident | 71.8 | Confident | 52 Ų | 52 | 65.6 Ų | 65.6 | 35% | 0.351 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60 | -36 | 175.8 | -75 | 0 | 0 | 0 | 0 | 112.7 | M99 L106 R107 | M99-C103 PolarHBondContact O-N 3.43Å; M99-C103 PolarHBondContact O-SG 3.44Å; M99-C103 VanDerWaalsContact O-SG 3.33Å; C103-L106 PolarHBondContact O-N 2.92Å; C103-R107 PolarHBondContact O-N 3.26Å |
| 104 | M | 69 | Low | 71.7 | Confident | 118 Ų | 118 | 70.5 Ų | 70.5 | 58% | 0.581 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -62.1 | -48.7 | 175.4 | -69.7 | -170.4 | -74 | 0 | 0 | 111.4 | H102 L106 R107 D108 | H102-M104 VanDerWaalsContact C-N 3.28Å; H102-M104 PolarHBondContact O-N 3.21Å; M104-L106 VanDerWaalsContact C-N 3.3Å; M104-L106 PolarHBondContact O-N 2.63Å; M104-R107 VanDerWaalsContact O-CB 3.3Å; M104-R107 WeakPolarHBondContact O-CB 3.41Å; M104-R107 PolarHBondContact O-N 3.33Å; M104-R107 VanDerWaalsContact O-N 3.09Å; M104-D108 PolarHBondContact O-N 3.29Å |
| 105 | A | 68.1 | Low | 71.3 | Confident | 13 Ų | 13 | 70.9 Ų | 70.9 | 11% | 0.107 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64 | -33.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | H102 D108 V109 V139 | H102-A105 PolarHBondContact O-N 2.84Å; A105-D108 PolarHBondContact O-N 3.31Å; A105-V109 PolarHBondContact O-N 3.18Å; A105-V139 HydrophobicContact CB-CG2 3.7Å |
| 106 | L | 75.3 | Confident | 71 | Confident | 18 Ų | 18 | 66.1 Ų | 66.1 | 9% | 0.094 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -68.5 | -34.1 | 174.5 | -171.3 | 68.7 | 0 | 0 | 0 | 112.1 | L80 M83 V84 L87 H102 C103 M104 D108 V109 V110 V139 | L80-L106 HydrophobicContact CD2-CD1 3.66Å; M83-L106 HydrophobicContact CB-CD1 4.14Å; M83-L106 HydrophobicContact SD-CD1 4.13Å; V84-L106 HydrophobicContact CG2-CD2 3.74Å; L87-L106 HydrophobicContact CD1-CB 4.48Å; L87-L106 HydrophobicContact CD1-CD2 3.49Å; L87-L106 VanDerWaalsContact CD1-CD2 3.49Å; H102-L106 PolarHBondContact O-N 2.75Å; H102-L106 VanDerWaalsContact O-N 3.07Å; C103-L106 PolarHBondContact O-N 2.92Å; M104-L106 VanDerWaalsContact C-N 3.3Å; M104-L106 PolarHBondContact O-N 2.63Å; L106-D108 VanDerWaalsContact C-N 3.26Å; L106-D108 PolarHBondContact O-N 3.47Å; L106-V109 PolarHBondContact O-N 3.26Å; L106-V110 WeakPolarHBondContact O-CG2 3.45Å; L106-V110 PolarHBondContact O-N 3.26Å; L106-V139 HydrophobicContact CD1-CG1 4.45Å |
| 107 | R | 74.8 | Confident | 70.4 | Confident | 186 Ų | 186 | 63 Ų | 63 | 70% | 0.702 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -60.3 | -38.2 | 176.2 | -169.6 | 178.3 | -179.9 | 159.5 | -0.7 | 111.4 | C103 M104 V110 S111 | C103-R107 PolarHBondContact O-N 3.26Å; M104-R107 VanDerWaalsContact O-CB 3.3Å; M104-R107 WeakPolarHBondContact O-CB 3.41Å; M104-R107 PolarHBondContact O-N 3.33Å; M104-R107 VanDerWaalsContact O-N 3.09Å; R107-V110 PolarHBondContact O-N 2.97Å; R107-S111 PolarHBondContact O-N 3.35Å |
| 108 | D | 69.5 | Low | 69.9 | Low | 20 Ų | 20 | 62.3 Ų | 62.3 | 11% | 0.107 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.5 | -44.7 | 177.1 | -56.6 | -21.9 | 0 | 0 | 0 | 111.4 | M104 A105 L106 V110 S111 L112 | M104-D108 PolarHBondContact O-N 3.29Å; A105-D108 PolarHBondContact O-N 3.31Å; L106-D108 VanDerWaalsContact C-N 3.26Å; L106-D108 PolarHBondContact O-N 3.47Å; D108-V110 VanDerWaalsContact C-N 3.31Å; D108-V110 PolarHBondContact O-N 3.05Å; D108-S111 PolarHBondContact O-N 3.44Å; D108-S111 PolarHBondContact O-OG 2.97Å; D108-L112 PolarHBondContact O-N 3.42Å |
| 109 | V | 72.9 | Confident | 69.6 | Low | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -58.6 | -44.6 | 175 | -179.4 | 0 | 0 | 0 | 0 | 110.8 | L80 A105 L106 S111 L112 K113 L132 H135 M136 V139 | L80-V109 HydrophobicContact CD2-CB 4.32Å; L80-V109 HydrophobicContact CD2-CG1 3.58Å; L80-V109 HydrophobicContact CG-CG1 4.43Å; A105-V109 PolarHBondContact O-N 3.18Å; L106-V109 PolarHBondContact O-N 3.26Å; V109-S111 VanDerWaalsContact C-N 3.35Å; V109-S111 PolarHBondContact O-N 2.85Å; V109-L112 PolarHBondContact O-N 2.91Å; V109-K113 PolarHBondContact O-N 3.24Å; V109-L132 HydrophobicContact CB-CD1 4.49Å; V109-L132 HydrophobicContact CG1-CD1 3.61Å; V109-L132 VanDerWaalsContact O-CD1 3.28Å; V109-L132 WeakPolarHBondContact O-CD1 3.43Å; V109-H135 HydrophobicContact CG2-CB 3.88Å; V109-M136 HydrophobicContact CG1-CG 3.44Å; V109-M136 VanDerWaalsContact CG1-CG 3.44Å; V109-M136 HydrophobicContact CG1-SD 4.32Å; V109-M136 HydrophobicContact CG2-CG 4.3Å; V109-V139 HydrophobicContact CG2-CG2 4.05Å |
| 110 | V | 72.4 | Confident | 69.2 | Low | 55 Ų | 55 | 71.1 Ų | 71.1 | 33% | 0.333 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.6 | -41.8 | 177.5 | 172.3 | 0 | 0 | 0 | 0 | 110.8 | L80 L106 R107 D108 L112 K113 Y114 | L80-V110 HydrophobicContact CD2-CG2 4.46Å; L106-V110 WeakPolarHBondContact O-CG2 3.45Å; L106-V110 PolarHBondContact O-N 3.26Å; R107-V110 PolarHBondContact O-N 2.97Å; D108-V110 VanDerWaalsContact C-N 3.31Å; D108-V110 PolarHBondContact O-N 3.05Å; V110-L112 PolarHBondContact O-N 3.3Å; V110-K113 PolarHBondContact O-N 2.95Å; V110-Y114 HydrophobicContact CG1-CD2 3.71Å; V110-Y114 HydrophobicContact CG1-CE2 3.5Å; V110-Y114 VanDerWaalsContact CG1-CE2 3.5Å; V110-Y114 WeakPolarHBondContact O-CD2 3.36Å; V110-Y114 PolarHBondContact O-N 3.19Å |
| 111 | S | 72.3 | Confident | 69.1 | Low | 37 Ų | 37 | 71.6 Ų | 71.6 | 26% | 0.259 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.2 | -41.9 | 176.5 | 79.6 | 0 | 0 | 0 | 0 | 112.5 | R107 D108 V109 Y114 S115 | R107-S111 PolarHBondContact O-N 3.35Å; D108-S111 PolarHBondContact O-N 3.44Å; D108-S111 PolarHBondContact O-OG 2.97Å; V109-S111 VanDerWaalsContact C-N 3.35Å; V109-S111 PolarHBondContact O-N 2.85Å; S111-Y114 PolarHBondContact O-N 3.03Å; S111-S115 PolarHBondContact O-N 2.87Å |
| 112 | L | 68.9 | Low | 69.1 | Low | 19 Ų | 19 | 72.4 Ų | 72.4 | 10% | 0.099 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.1 | -40.5 | 176.6 | -78.9 | 160.9 | 0 | 0 | 0 | 111.5 | D108 V109 V110 S115 L116 K131 L132 H135 | D108-L112 PolarHBondContact O-N 3.42Å; V109-L112 PolarHBondContact O-N 2.91Å; V110-L112 PolarHBondContact O-N 3.3Å; L112-S115 WeakPolarHBondContact CA-OG 3.5Å; L112-S115 PolarHBondContact O-N 3.29Å; L112-S115 PolarHBondContact O-OG 3.44Å; L112-L116 PolarHBondContact O-N 3Å; L112-K131 HydrophobicContact CD1-CG 4.14Å; L112-K131 HydrophobicContact CD2-CD 3.86Å; L112-K131 HydrophobicContact CD2-CG 4.14Å; L112-L132 HydrophobicContact CB-CD1 3.71Å; L112-H135 HydrophobicContact CD1-CB 4.44Å |
| 113 | K | 69.2 | Low | 68.8 | Low | 57 Ų | 57 | 78.8 Ų | 78.8 | 25% | 0.248 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -60.5 | -46 | 172.9 | -176.7 | -177.5 | 177.9 | -178.2 | 0 | 111.3 | S77 L80 V109 V110 S115 L116 L132 | S77-K113 PolarHBondContact OG-NZ 3.22Å; L80-K113 HydrophobicContact CD1-CD 3.65Å; V109-K113 PolarHBondContact O-N 3.24Å; V110-K113 PolarHBondContact O-N 2.95Å; K113-S115 VanDerWaalsContact C-N 3.32Å; K113-S115 PolarHBondContact O-N 3.47Å; K113-L116 WeakPolarHBondContact O-CB 3.31Å; K113-L116 PolarHBondContact O-N 3.09Å; K113-L132 HydrophobicContact CB-CD1 4.4Å |
| 114 | Y | 68.4 | Low | 68.6 | Low | 171 Ų | 171 | 80 Ų | 80 | 67% | 0.671 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -62.5 | -38.6 | 176.7 | -83.2 | -67.6 | 0 | 0 | 0 | 112.2 | V110 S111 L116 S117 | V110-Y114 HydrophobicContact CG1-CD2 3.71Å; V110-Y114 HydrophobicContact CG1-CE2 3.5Å; V110-Y114 VanDerWaalsContact CG1-CE2 3.5Å; V110-Y114 WeakPolarHBondContact O-CD2 3.36Å; V110-Y114 PolarHBondContact O-N 3.19Å; S111-Y114 PolarHBondContact O-N 3.03Å; Y114-L116 VanDerWaalsContact C-N 3.25Å; Y114-L116 PolarHBondContact O-N 3.02Å; Y114-S117 PolarHBondContact O-N 2.97Å; Y114-S117 PolarHBondContact O-OG 2.92Å |
| 115 | S | 67.5 | Low | 68.5 | Low | 48 Ų | 48 | 77 Ų | 77 | 34% | 0.336 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.7 | -36.5 | 176.5 | 62.4 | 0 | 0 | 0 | 0 | 112.5 | S111 L112 K113 S117 G118 I120 | S111-S115 PolarHBondContact O-N 2.87Å; L112-S115 WeakPolarHBondContact CA-OG 3.5Å; L112-S115 PolarHBondContact O-N 3.29Å; L112-S115 PolarHBondContact O-OG 3.44Å; K113-S115 VanDerWaalsContact C-N 3.32Å; K113-S115 PolarHBondContact O-N 3.47Å; S115-S117 PolarHBondContact O-N 3.5Å; S115-G118 PolarHBondContact O-N 3.35Å; S115-I120 WeakPolarHBondContact O-CD1 3.36Å |
| 116 | L | 64.3 | Low | 68.5 | Low | 10 Ų | 10 | 79.7 Ų | 79.7 | 5% | 0.052 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -66.7 | -20.5 | 179.9 | -77.7 | 160.2 | 0 | 0 | 0 | 113.8 | L72 L112 K113 Y114 G118 I125 S128 L129 L132 | L72-L116 HydrophobicContact CD1-CB 3.52Å; L72-L116 HydrophobicContact CD2-CB 3.67Å; L72-L116 HydrophobicContact CD2-CD1 4Å; L72-L116 HydrophobicContact CD2-CD2 4.12Å; L72-L116 HydrophobicContact CD2-CG 4.15Å; L72-L116 HydrophobicContact CG-CB 4.23Å; L112-L116 PolarHBondContact O-N 3Å; K113-L116 WeakPolarHBondContact O-CB 3.31Å; K113-L116 PolarHBondContact O-N 3.09Å; Y114-L116 VanDerWaalsContact C-N 3.25Å; Y114-L116 PolarHBondContact O-N 3.02Å; L116-G118 PolarHBondContact O-N 3.48Å; L116-I125 HydrophobicContact CD2-CG2 4.3Å; L116-S128 VanDerWaalsContact CD2-CB 3.48Å; L116-L129 HydrophobicContact CD1-CD2 3.96Å; L116-L129 HydrophobicContact CD1-CG 4.37Å; L116-L129 HydrophobicContact CD2-CG 4.21Å; L116-L132 HydrophobicContact CD1-CB 4.41Å; L116-L132 HydrophobicContact CD1-CD2 3.78Å |
| 117 | S | 63.7 | Low | 68.3 | Low | 69 Ų | 69 | 81 Ų | 81 | 48% | 0.483 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -2 | 177.4 | 69.1 | 0 | 0 | 0 | 0 | 114.7 | Y114 S115 | Y114-S117 PolarHBondContact O-N 2.97Å; Y114-S117 PolarHBondContact O-OG 2.92Å; S115-S117 PolarHBondContact O-N 3.5Å |
| 118 | G | 60.3 | Low | 68 | Low | 43 Ų | 43 | 73.5 Ų | 73.5 | 44% | 0.443 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -87.1 | 173 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | S115 L116 I120 | S115-G118 PolarHBondContact O-N 3.35Å; L116-G118 PolarHBondContact O-N 3.48Å; G118-I120 VanDerWaalsContact C-N 3.31Å; G118-I120 PolarHBondContact O-N 2.98Å |
| 119 | R | 62.8 | Low | 68 | Low | 268 Ų | 268 | 73.8 Ų | 73.8 | 100% | 1.011 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -71.1 | 84.4 | 169.1 | -69.3 | -175.7 | -175.2 | -179.7 | 1.1 | 110.1 | ||
| 120 | I | 64.4 | Low | 68 | Low | 55 Ų | 55 | 80.3 Ų | 80.3 | 28% | 0.282 | 40% | 0.403 | S | S | . | . | trans | -111.7 | 147.9 | -177 | -64.8 | -175.5 | 0 | 0 | 0 | 109.8 | S115 G118 D124 I125 | S115-I120 WeakPolarHBondContact O-CD1 3.36Å; G118-I120 VanDerWaalsContact C-N 3.31Å; G118-I120 PolarHBondContact O-N 2.98Å; I120-D124 HydrophobicContact CG2-CB 3.16Å; I120-I125 HydrophobicContact CB-CG1 4.04Å; I120-I125 HydrophobicContact CG2-CG1 3.85Å | ||
| 121 | T | 71.2 | Confident | 68 | Low | 80 Ų | 80 | 81.6 Ų | 81.6 | 49% | 0.491 | 40% | 0.404 | S | S | . | . | trans | -69.2 | 154.9 | 177.6 | 75 | 0 | 0 | 0 | 0 | 111.3 | F123 D124 I125 | T121-F123 PolarHBondContact O-N 3.02Å; T121-F123 VanDerWaalsContact O-N 3.15Å; T121-D124 PolarHBondContact O-N 3.39Å; T121-D124 VanDerWaalsContact O-N 3.11Å; T121-D124 PolarHBondContact OG1-N 2.64Å; T121-D124 PolarHBondContact OG1-OD2 2.96Å; T121-I125 WeakPolarHBondContact O-CG1 3.42Å; T121-I125 PolarHBondContact O-N 3.34Å | ||
| 122 | K | 67.9 | Low | 68.2 | Low | 175 Ų | 175 | 80 Ų | 80 | 76% | 0.761 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -55.6 | -35.4 | -179.1 | -164.6 | 178.4 | -177 | 179.7 | 0 | 113 | I126 | K122-I126 WeakPolarHBondContact O-CG1 3.49Å; K122-I126 PolarHBondContact O-N 3.44Å |
| 123 | F | 67.3 | Low | 68.6 | Low | 161 Ų | 161 | 79.6 Ų | 79.6 | 71% | 0.706 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -69.2 | -46.4 | 177.6 | -174.2 | -93 | 0 | 0 | 0 | 111.9 | T121 I125 I126 A127 | T121-F123 PolarHBondContact O-N 3.02Å; T121-F123 VanDerWaalsContact O-N 3.15Å; F123-I125 VanDerWaalsContact C-N 3.28Å; F123-I125 PolarHBondContact O-N 3.02Å; F123-I126 PolarHBondContact O-N 3.48Å; F123-A127 PolarHBondContact O-N 2.85Å |
| 124 | D | 69.5 | Low | 68.8 | Low | 76 Ų | 76 | 78.4 Ų | 78.4 | 41% | 0.406 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.4 | -32.1 | 177.9 | -65.1 | -35.5 | 0 | 0 | 0 | 111.8 | I120 T121 S128 | I120-D124 HydrophobicContact CG2-CB 3.16Å; T121-D124 PolarHBondContact O-N 3.39Å; T121-D124 VanDerWaalsContact O-N 3.11Å; T121-D124 PolarHBondContact OG1-N 2.64Å; T121-D124 PolarHBondContact OG1-OD2 2.96Å; D124-S128 WeakPolarHBondContact O-CB 3.42Å; D124-S128 PolarHBondContact O-N 2.98Å; D124-S128 PolarHBondContact O-OG 3.07Å |
| 125 | I | 68.1 | Low | 69.1 | Low | 56 Ų | 56 | 71.7 Ų | 71.7 | 29% | 0.287 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.5 | -50.3 | 171.5 | -69.4 | 168.3 | 0 | 0 | 0 | 110.2 | L116 I120 T121 F123 A127 S128 L129 | L116-I125 HydrophobicContact CD2-CG2 4.3Å; I120-I125 HydrophobicContact CB-CG1 4.04Å; I120-I125 HydrophobicContact CG2-CG1 3.85Å; T121-I125 WeakPolarHBondContact O-CG1 3.42Å; T121-I125 PolarHBondContact O-N 3.34Å; F123-I125 VanDerWaalsContact C-N 3.28Å; F123-I125 PolarHBondContact O-N 3.02Å; I125-A127 PolarHBondContact O-N 2.94Å; I125-S128 PolarHBondContact O-N 3.26Å; I125-L129 HydrophobicContact CG2-CD1 3.75Å; I125-L129 HydrophobicContact CG2-CG 4.26Å; I125-L129 VanDerWaalsContact O-CB 3.3Å; I125-L129 WeakPolarHBondContact O-CB 3.37Å; I125-L129 VanDerWaalsContact O-CG 3.28Å; I125-L129 WeakPolarHBondContact O-CG 3.18Å; I125-L129 PolarHBondContact O-N 2.78Å |
| 126 | I | 68.6 | Low | 69.6 | Low | 70 Ų | 70 | 69.4 Ų | 69.4 | 36% | 0.359 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.7 | -44 | 179.5 | -68.6 | 168.8 | 0 | 0 | 0 | 110.8 | K122 F123 L129 R130 F154 | K122-I126 WeakPolarHBondContact O-CG1 3.49Å; K122-I126 PolarHBondContact O-N 3.44Å; F123-I126 PolarHBondContact O-N 3.48Å; I126-L129 PolarHBondContact O-N 2.89Å; I126-R130 WeakPolarHBondContact O-CB 3.35Å; I126-R130 PolarHBondContact O-N 3.02Å; I126-F154 HydrophobicContact CG2-CE2 4Å; I126-F154 WeakPolarHBondContact O-CE2 3.2Å |
| 127 | A | 69.8 | Low | 70.3 | Confident | 45 Ų | 45 | 69 Ų | 69 | 37% | 0.372 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.2 | -43.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F123 I125 R130 K131 | F123-A127 PolarHBondContact O-N 2.85Å; I125-A127 PolarHBondContact O-N 2.94Å; A127-R130 WeakPolarHBondContact O-CB 3.36Å; A127-R130 PolarHBondContact O-N 2.87Å; A127-K131 PolarHBondContact O-N 2.75Å |
| 128 | S | 69.5 | Low | 70.6 | Confident | 28 Ų | 28 | 66.7 Ų | 66.7 | 20% | 0.196 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -69.4 | -37.6 | 178.4 | -61.3 | 0 | 0 | 0 | 0 | 112.2 | L116 D124 I125 K131 L132 | L116-S128 VanDerWaalsContact CD2-CB 3.48Å; D124-S128 WeakPolarHBondContact O-CB 3.42Å; D124-S128 PolarHBondContact O-N 2.98Å; D124-S128 PolarHBondContact O-OG 3.07Å; I125-S128 PolarHBondContact O-N 3.26Å; S128-K131 PolarHBondContact O-N 2.95Å; S128-L132 WeakPolarHBondContact O-CB 3.41Å; S128-L132 PolarHBondContact O-N 3.16Å |
| 129 | L | 70 | Confident | 71.4 | Confident | 27 Ų | 27 | 64.6 Ų | 64.6 | 14% | 0.141 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.1 | -43.6 | 172.1 | -79.4 | 172.1 | 0 | 0 | 0 | 111.5 | L72 L116 I125 I126 K131 L132 H133 F154 | L72-L129 HydrophobicContact CD2-CD2 3.99Å; L116-L129 HydrophobicContact CD1-CD2 3.96Å; L116-L129 HydrophobicContact CD1-CG 4.37Å; L116-L129 HydrophobicContact CD2-CG 4.21Å; I125-L129 HydrophobicContact CG2-CD1 3.75Å; I125-L129 HydrophobicContact CG2-CG 4.26Å; I125-L129 VanDerWaalsContact O-CB 3.3Å; I125-L129 WeakPolarHBondContact O-CB 3.37Å; I125-L129 VanDerWaalsContact O-CG 3.28Å; I125-L129 WeakPolarHBondContact O-CG 3.18Å; I125-L129 PolarHBondContact O-N 2.78Å; I126-L129 PolarHBondContact O-N 2.89Å; L129-K131 VanDerWaalsContact C-N 3.31Å; L129-K131 PolarHBondContact O-N 3.24Å; L129-L132 HydrophobicContact CD2-CD2 4.5Å; L129-L132 WeakPolarHBondContact O-CB 3.09Å; L129-L132 PolarHBondContact O-N 2.97Å; L129-H133 WeakPolarHBondContact O-CB 3.01Å; L129-H133 PolarHBondContact O-CD2 3.07Å; L129-H133 PolarHBondContact O-N 2.96Å; L129-F154 HydrophobicContact CB-CD2 3.82Å; L129-F154 HydrophobicContact CB-CE2 4.06Å; L129-F154 HydrophobicContact CB-CG 4.32Å; L129-F154 HydrophobicContact CD1-CD2 4.35Å |
| 130 | R | 71.3 | Confident | 72 | Confident | 137 Ų | 137 | 51.9 Ų | 51.9 | 52% | 0.517 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -55.6 | -49.1 | 174 | -164.2 | 173 | -72.2 | 142.3 | 1.7 | 111 | I126 A127 H133 T134 F154 | I126-R130 WeakPolarHBondContact O-CB 3.35Å; I126-R130 PolarHBondContact O-N 3.02Å; A127-R130 WeakPolarHBondContact O-CB 3.36Å; A127-R130 PolarHBondContact O-N 2.87Å; R130-H133 PolarHBondContact O-N 2.99Å; R130-T134 WeakPolarHBondContact O-CG2 3.33Å; R130-T134 PolarHBondContact O-N 2.85Å; R130-T134 PolarHBondContact O-OG1 3.49Å; R130-F154 VanDerWaalsContact CA-CE1 3.5Å; R130-F154 VanDerWaalsContact CA-CZ 3.45Å; R130-F154 HydrophobicContact CB-CE1 3.82Å; R130-F154 HydrophobicContact CB-CE2 4.31Å; R130-F154 HydrophobicContact CB-CZ 3.4Å; R130-F154 HydrophobicContact CG-CE1 3.89Å; R130-F154 HydrophobicContact CG-CZ 3.76Å |
| 131 | K | 72.7 | Confident | 72.3 | Confident | 82 Ų | 82 | 50.1 Ų | 50.1 | 36% | 0.357 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.3 | -40.6 | 179.1 | -170.8 | 174.9 | 178.3 | -177.7 | 0 | 112.1 | L112 A127 S128 L129 T134 H135 | L112-K131 HydrophobicContact CD1-CG 4.14Å; L112-K131 HydrophobicContact CD2-CD 3.86Å; L112-K131 HydrophobicContact CD2-CG 4.14Å; A127-K131 PolarHBondContact O-N 2.75Å; S128-K131 PolarHBondContact O-N 2.95Å; L129-K131 VanDerWaalsContact C-N 3.31Å; L129-K131 PolarHBondContact O-N 3.24Å; K131-T134 PolarHBondContact O-OG1 2.78Å; K131-H135 WeakPolarHBondContact O-CB 3.4Å; K131-H135 PolarHBondContact O-CD2 3.22Å; K131-H135 VanDerWaalsContact O-CD2 3.28Å; K131-H135 PolarHBondContact O-N 3.34Å; K131-H135 VanDerWaalsContact O-N 3.12Å |
| 132 | L | 77.4 | Confident | 72.2 | Confident | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60 | -48.5 | 175 | -178.6 | 70.5 | 0 | 0 | 0 | 110.7 | V76 V109 L112 K113 L116 S128 L129 H135 M136 | V76-L132 HydrophobicContact CG1-CD2 3.92Å; V76-L132 HydrophobicContact CG2-CD2 4.49Å; V109-L132 HydrophobicContact CB-CD1 4.49Å; V109-L132 HydrophobicContact CG1-CD1 3.61Å; V109-L132 VanDerWaalsContact O-CD1 3.28Å; V109-L132 WeakPolarHBondContact O-CD1 3.43Å; L112-L132 HydrophobicContact CB-CD1 3.71Å; K113-L132 HydrophobicContact CB-CD1 4.4Å; L116-L132 HydrophobicContact CD1-CB 4.41Å; L116-L132 HydrophobicContact CD1-CD2 3.78Å; S128-L132 WeakPolarHBondContact O-CB 3.41Å; S128-L132 PolarHBondContact O-N 3.16Å; L129-L132 HydrophobicContact CD2-CD2 4.5Å; L129-L132 WeakPolarHBondContact O-CB 3.09Å; L129-L132 PolarHBondContact O-N 2.97Å; L132-H135 PolarHBondContact O-N 2.94Å; L132-M136 HydrophobicContact CD1-SD 4.5Å; L132-M136 HydrophobicContact CD2-SD 4.46Å; L132-M136 HydrophobicContact CG-CG 4.48Å; L132-M136 HydrophobicContact CG-SD 4.02Å; L132-M136 WeakPolarHBondContact O-CB 3.32Å; L132-M136 VanDerWaalsContact O-CG 3.27Å; L132-M136 WeakPolarHBondContact O-CG 3.27Å; L132-M136 PolarHBondContact O-N 2.77Å |
| 133 | H | 76 | Confident | 72.4 | Confident | 11 Ų | 11 | 41.8 Ų | 41.8 | 5% | 0.051 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.7 | -38.1 | -178 | -79.6 | -57.9 | 0 | 0 | 0 | 113.9 | L129 R130 M136 S137 R150 F154 | L129-H133 WeakPolarHBondContact O-CB 3.01Å; L129-H133 PolarHBondContact O-CD2 3.07Å; L129-H133 PolarHBondContact O-N 2.96Å; R130-H133 PolarHBondContact O-N 2.99Å; H133-M136 PolarHBondContact O-N 2.71Å; H133-S137 WeakPolarHBondContact O-CB 3.47Å; H133-S137 PolarHBondContact O-N 2.79Å; H133-S137 PolarHBondContact O-OG 3.02Å; H133-R150 VanDerWaalsContact CE1-CD 3.41Å; H133-R150 WeakPolarHBondContact CE1-CD 3.38Å; H133-R150 PolarHBondContact CE1-NE 3.17Å; H133-R150 WeakPolarHBondContact ND1-CD 3.44Å; H133-R150 PolarHBondContact ND1-NE 2.92Å; H133-R150 PolarHBondContact ND1-NH2 2.81Å; H133-F154 HydrophobicContact CB-CD1 4.43Å; H133-F154 AromaticContact CD2-CD1 3.52Å; H133-F154 AromaticContact CD2-CG 3.7Å |
| 134 | T | 73.3 | Confident | 72.5 | Confident | 33 Ų | 33 | 38.8 Ų | 38.8 | 20% | 0.202 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.7 | -44 | 174.4 | 52.3 | 0 | 0 | 0 | 0 | 110.7 | R130 K131 S137 M138 | R130-T134 WeakPolarHBondContact O-CG2 3.33Å; R130-T134 PolarHBondContact O-N 2.85Å; R130-T134 PolarHBondContact O-OG1 3.49Å; K131-T134 PolarHBondContact O-OG1 2.78Å; T134-S137 PolarHBondContact O-N 3.09Å; T134-M138 PolarHBondContact O-N 3.14Å |
| 135 | H | 74.7 | Confident | 72.6 | Confident | 29 Ų | 29 | 35.7 Ų | 35.7 | 13% | 0.134 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.4 | -43.8 | 175 | -88.7 | -98.2 | 0 | 0 | 0 | 112.6 | V109 L112 K131 L132 S137 M138 V139 | V109-H135 HydrophobicContact CG2-CB 3.88Å; L112-H135 HydrophobicContact CD1-CB 4.44Å; K131-H135 WeakPolarHBondContact O-CB 3.4Å; K131-H135 PolarHBondContact O-CD2 3.22Å; K131-H135 VanDerWaalsContact O-CD2 3.28Å; K131-H135 PolarHBondContact O-N 3.34Å; K131-H135 VanDerWaalsContact O-N 3.12Å; L132-H135 PolarHBondContact O-N 2.94Å; H135-S137 VanDerWaalsContact C-N 3.33Å; H135-S137 PolarHBondContact O-N 3.32Å; H135-M138 PolarHBondContact O-N 3.33Å; H135-V139 WeakPolarHBondContact O-CG2 3.35Å; H135-V139 PolarHBondContact O-N 3.44Å |
| 136 | M | 79.1 | Confident | 72.7 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.5 | -45.5 | 174.9 | -75.8 | 177.4 | 73.9 | 0 | 0 | 111.7 | V76 E79 M83 V109 L132 H133 M138 V139 Q140 | V76-M136 HydrophobicContact CG1-CE 4.18Å; V76-M136 HydrophobicContact CG1-SD 3.92Å; V76-M136 HydrophobicContact CG2-SD 4.43Å; E79-M136 HydrophobicContact CB-CE 3.43Å; E79-M136 VanDerWaalsContact CB-CE 3.43Å; E79-M136 HydrophobicContact CG-CE 4.19Å; E79-M136 WeakPolarHBondContact OE2-CE 3.31Å; M83-M136 HydrophobicContact CE-CB 4.06Å; M83-M136 HydrophobicContact CE-CE 3.63Å; M83-M136 HydrophobicContact CE-CG 4.09Å; V109-M136 HydrophobicContact CG1-CG 3.44Å; V109-M136 VanDerWaalsContact CG1-CG 3.44Å; V109-M136 HydrophobicContact CG1-SD 4.32Å; V109-M136 HydrophobicContact CG2-CG 4.3Å; L132-M136 HydrophobicContact CD1-SD 4.5Å; L132-M136 HydrophobicContact CD2-SD 4.46Å; L132-M136 HydrophobicContact CG-CG 4.48Å; L132-M136 HydrophobicContact CG-SD 4.02Å; L132-M136 WeakPolarHBondContact O-CB 3.32Å; L132-M136 VanDerWaalsContact O-CG 3.27Å; L132-M136 WeakPolarHBondContact O-CG 3.27Å; L132-M136 PolarHBondContact O-N 2.77Å; H133-M136 PolarHBondContact O-N 2.71Å; M136-M138 VanDerWaalsContact C-N 3.3Å; M136-M138 PolarHBondContact O-N 3.01Å; M136-V139 PolarHBondContact O-N 2.91Å; M136-Q140 WeakPolarHBondContact O-CB 3.15Å; M136-Q140 WeakPolarHBondContact O-CG 3.23Å; M136-Q140 PolarHBondContact O-N 3.46Å |
| 137 | S | 77.7 | Confident | 72.9 | Confident | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.007 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.4 | -36.8 | 178.4 | -54.5 | 0 | 0 | 0 | 0 | 111.3 | H133 T134 H135 Q140 S141 | H133-S137 WeakPolarHBondContact O-CB 3.47Å; H133-S137 PolarHBondContact O-N 2.79Å; H133-S137 PolarHBondContact O-OG 3.02Å; T134-S137 PolarHBondContact O-N 3.09Å; H135-S137 VanDerWaalsContact C-N 3.33Å; H135-S137 PolarHBondContact O-N 3.32Å; S137-Q140 PolarHBondContact O-N 2.92Å; S137-S141 VanDerWaalsContact O-CB 3.26Å; S137-S141 WeakPolarHBondContact O-CB 3.15Å; S137-S141 PolarHBondContact O-N 3.09Å |
| 138 | M | 71.6 | Confident | 73 | Confident | 21 Ų | 21 | 28.2 Ų | 28.2 | 10% | 0.103 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.2 | -40.7 | 173.3 | -166.5 | -178.2 | 75.1 | 0 | 0 | 112 | T134 H135 M136 S141 K142 L178 E182 | T134-M138 PolarHBondContact O-N 3.14Å; H135-M138 PolarHBondContact O-N 3.33Å; M136-M138 VanDerWaalsContact C-N 3.3Å; M136-M138 PolarHBondContact O-N 3.01Å; M138-S141 WeakPolarHBondContact O-CB 3.28Å; M138-K142 HydrophobicContact CG-CD 4.44Å; M138-K142 VanDerWaalsContact O-CG 3.3Å; M138-K142 WeakPolarHBondContact O-CG 3.35Å; M138-K142 PolarHBondContact O-N 2.97Å; M138-K142 VanDerWaalsContact O-N 3.08Å; M138-L178 HydrophobicContact CB-CD2 3.95Å; M138-E182 HydrophobicContact SD-CG 4.41Å |
| 139 | V | 75.5 | Confident | 73.3 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -68 | -42.2 | 176.3 | 176.1 | 0 | 0 | 0 | 0 | 111.1 | M83 A105 L106 V109 H135 M136 K142 L143 | M83-V139 HydrophobicContact CG-CG1 4.42Å; M83-V139 HydrophobicContact SD-CB 3.94Å; M83-V139 HydrophobicContact SD-CG1 3.55Å; M83-V139 VanDerWaalsContact SD-CG1 3.55Å; A105-V139 HydrophobicContact CB-CG2 3.7Å; L106-V139 HydrophobicContact CD1-CG1 4.45Å; V109-V139 HydrophobicContact CG2-CG2 4.05Å; H135-V139 WeakPolarHBondContact O-CG2 3.35Å; H135-V139 PolarHBondContact O-N 3.44Å; M136-V139 PolarHBondContact O-N 2.91Å; V139-K142 PolarHBondContact O-N 3.3Å; V139-L143 HydrophobicContact CG1-CD1 3.71Å; V139-L143 HydrophobicContact CG1-CG 4.2Å; V139-L143 WeakPolarHBondContact O-CB 3.34Å; V139-L143 WeakPolarHBondContact O-CG 3.41Å; V139-L143 PolarHBondContact O-N 2.84Å |
| 140 | Q | 77.2 | Confident | 73.5 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -59.4 | -47.4 | 174.8 | -75.9 | 169.7 | -18.2 | 0 | 0 | 111.7 | E79 M83 M136 S137 K142 L143 F144 L145 | E79-Q140 PolarHBondContact OE2-NE2 2.85Å; M83-Q140 HydrophobicContact CE-CG 3.9Å; M83-Q140 HydrophobicContact CG-CG 4.39Å; M83-Q140 HydrophobicContact SD-CG 4.17Å; M136-Q140 WeakPolarHBondContact O-CB 3.15Å; M136-Q140 WeakPolarHBondContact O-CG 3.23Å; M136-Q140 PolarHBondContact O-N 3.46Å; S137-Q140 PolarHBondContact O-N 2.92Å; Q140-K142 VanDerWaalsContact C-N 3.32Å; Q140-K142 PolarHBondContact O-N 3.31Å; Q140-L143 CarbonylContact O-C 3.56Å; Q140-L143 PolarHBondContact O-N 2.97Å; Q140-F144 PolarHBondContact O-N 2.94Å; Q140-F144 VanDerWaalsContact O-N 3.1Å; Q140-L145 HydrophobicContact CB-CB 4.1Å; Q140-L145 HydrophobicContact CG-CB 4.23Å; Q140-L145 HydrophobicContact CG-CD1 4.46Å; Q140-L145 PolarHBondContact O-N 3.44Å |
| 141 | S | 69.6 | Low | 73.5 | Confident | 19 Ų | 19 | 22.7 Ų | 22.7 | 13% | 0.133 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -50.9 | -50.7 | 173.2 | 161.5 | 0 | 0 | 0 | 0 | 111.4 | S137 M138 L143 F144 Q1429 | S137-S141 VanDerWaalsContact O-CB 3.26Å; S137-S141 WeakPolarHBondContact O-CB 3.15Å; S137-S141 PolarHBondContact O-N 3.09Å; M138-S141 WeakPolarHBondContact O-CB 3.28Å; S141-L143 PolarHBondContact O-N 3.43Å; S141-F144 PolarHBondContact O-N 3.12Å; S141-Q1429 PolarHBondContact O-NE2 3.5Å; S141-Q1429 PolarHBondContact OG-NE2 3.22Å |
| 142 | K | 70.2 | Confident | 73.3 | Confident | 79 Ų | 79 | 26.2 Ų | 26.2 | 34% | 0.343 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -71.2 | -28.9 | -178.8 | -69.6 | 178.4 | 177.8 | 174.9 | 0 | 113.7 | H102 M138 V139 Q140 F144 | H102-K142 VanDerWaalsContact CD2-CB 3.44Å; H102-K142 WeakPolarHBondContact CD2-CB 3.34Å; H102-K142 WeakPolarHBondContact NE2-CB 3.07Å; H102-K142 PolarHBondContact NE2-O 3.47Å; H102-K142 VanDerWaalsContact NE2-O 3.08Å; M138-K142 HydrophobicContact CG-CD 4.44Å; M138-K142 VanDerWaalsContact O-CG 3.3Å; M138-K142 WeakPolarHBondContact O-CG 3.35Å; M138-K142 PolarHBondContact O-N 2.97Å; M138-K142 VanDerWaalsContact O-N 3.08Å; V139-K142 PolarHBondContact O-N 3.3Å; Q140-K142 VanDerWaalsContact C-N 3.32Å; Q140-K142 PolarHBondContact O-N 3.31Å; K142-F144 VanDerWaalsContact C-N 3.33Å |
| 143 | L | 71.5 | Confident | 72.8 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 1.9 | 176.5 | -69.9 | 178.2 | 0 | 0 | 0 | 114.1 | M83 K86 L87 M90 H102 V139 Q140 S141 L145 | M83-L143 HydrophobicContact CB-CD1 3.9Å; M83-L143 HydrophobicContact CG-CD1 4.1Å; K86-L143 HydrophobicContact CG-CB 4.44Å; L87-L143 HydrophobicContact CD2-CD2 3.85Å; L87-L143 HydrophobicContact CG-CD1 4.48Å; L87-L143 HydrophobicContact CG-CD2 4.3Å; M90-L143 HydrophobicContact SD-CD2 4.04Å; H102-L143 HydrophobicContact CB-CD2 3.9Å; V139-L143 HydrophobicContact CG1-CD1 3.71Å; V139-L143 HydrophobicContact CG1-CG 4.2Å; V139-L143 WeakPolarHBondContact O-CB 3.34Å; V139-L143 WeakPolarHBondContact O-CG 3.41Å; V139-L143 PolarHBondContact O-N 2.84Å; Q140-L143 CarbonylContact O-C 3.56Å; Q140-L143 PolarHBondContact O-N 2.97Å; S141-L143 PolarHBondContact O-N 3.43Å; L143-L145 VanDerWaalsContact C-N 3.25Å; L143-L145 HydrophobicContact CB-CD1 3.83Å; L143-L145 HydrophobicContact CB-CG 4.06Å; L143-L145 HydrophobicContact CD1-CD1 4.04Å; L143-L145 PolarHBondContact O-N 3.25Å |
| 144 | F | 69.2 | Low | 72.4 | Confident | 98 Ų | 98 | 33.1 Ų | 33.1 | 43% | 0.43 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 37.4 | -174.3 | -51 | -86.5 | 0 | 0 | 0 | 112.9 | Q140 S141 K142 E1425 | Q140-F144 PolarHBondContact O-N 2.94Å; Q140-F144 VanDerWaalsContact O-N 3.1Å; S141-F144 PolarHBondContact O-N 3.12Å; K142-F144 VanDerWaalsContact C-N 3.33Å; F144-E1425 HydrophobicContact CE1-CB 4.03Å; F144-E1425 WeakPolarHBondContact CE1-O 3.34Å; F144-E1425 HydrophobicContact CZ-CB 4.12Å; F144-E1425 HydrophobicContact CZ-CG 4.49Å |
| 145 | L | 71.6 | Confident | 72.1 | Confident | 11 Ų | 11 | 37.7 Ų | 37.7 | 6% | 0.058 | 18% | 0.181 | C | C | . | . | P | Polyproline II helix | trans | -92.3 | 149.1 | 173.6 | -68.6 | 165.5 | 0 | 0 | 0 | 109.6 | M82 M83 Q140 L143 | M82-L145 HydrophobicContact CE-CB 4.42Å; M82-L145 HydrophobicContact CE-CD1 4.14Å; M82-L145 HydrophobicContact CE-CD2 4.45Å; M82-L145 HydrophobicContact CG-CD1 4.49Å; M82-L145 HydrophobicContact CG-CD2 4.16Å; M82-L145 HydrophobicContact SD-CD2 4.26Å; M83-L145 HydrophobicContact CB-CD1 4.44Å; M83-L145 HydrophobicContact CG-CD1 3.79Å; Q140-L145 HydrophobicContact CB-CB 4.1Å; Q140-L145 HydrophobicContact CG-CB 4.23Å; Q140-L145 HydrophobicContact CG-CD1 4.46Å; Q140-L145 PolarHBondContact O-N 3.44Å; L143-L145 VanDerWaalsContact C-N 3.25Å; L143-L145 HydrophobicContact CB-CD1 3.83Å; L143-L145 HydrophobicContact CB-CG 4.06Å; L143-L145 HydrophobicContact CD1-CD1 4.04Å; L143-L145 PolarHBondContact O-N 3.25Å |
| 146 | P | 69.7 | Low | 72 | Confident | 8 Ų | 8 | 40.1 Ų | 40.1 | 5% | 0.052 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -62.6 | 140.8 | 178.9 | 25.5 | -33.5 | 0 | 0 | 0 | 111.2 | I1432 T1522 | P146-I1432 HydrophobicContact CB-CD1 3.85Å; P146-I1432 HydrophobicContact CB-CG1 4.25Å; P146-I1432 HydrophobicContact CG-CD1 4.08Å; P146-T1522 HydrophobicContact CG-CG2 4.11Å |
| 147 | F | 72.9 | Confident | 71.6 | Confident | 5 Ų | 5 | 40.8 Ų | 40.8 | 2% | 0.022 | 19% | 0.193 | C | C | . | . | P | Polyproline II helix | trans | -69.5 | 140.9 | 175.3 | -73.6 | -61.2 | 0 | 0 | 0 | 111.8 | H171 L174 L178 Q1429 | F147-H171 AromaticContact CD2-CE1 3.94Å; F147-L174 HydrophobicContact CD1-CD2 4.31Å; F147-L178 HydrophobicContact CE1-CD1 3.6Å; F147-L178 HydrophobicContact CZ-CD1 3.86Å; F147-Q1429 HydrophobicContact CD2-CB 4.02Å; F147-Q1429 HydrophobicContact CE2-CB 3.59Å; F147-Q1429 HydrophobicContact CE2-CG 3.98Å; F147-Q1429 HydrophobicContact CZ-CB 4.41Å; F147-Q1429 HydrophobicContact CZ-CG 4.33Å |
| 148 | I | 72.3 | Confident | 71.5 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | trans | -112.8 | 110 | 177.2 | -66.7 | 174.5 | 0 | 0 | 0 | 108.5 | E79 R150 Y156 V1521 | E79-I148 HydrophobicContact CG-CD1 3.83Å; I148-R150 HydrophobicContact CG2-CG 4.43Å; I148-R150 PolarHBondContact O-NH1 2.69Å; I148-R150 VanDerWaalsContact O-NH1 3.15Å; I148-Y156 HydrophobicContact CG2-CD1 3.6Å; I148-Y156 HydrophobicContact CG2-CE1 3.53Å; I148-V1521 HydrophobicContact CD1-CG1 4.22Å | ||
| 149 | I | 75.8 | Confident | 71.8 | Confident | 4 Ų | 4 | 43.7 Ų | 43.7 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | trans | -84.6 | 134.3 | -178.5 | -54.1 | 177.7 | 0 | 0 | 0 | 109.9 | I157 L167 K170 H171 W1431 E1433 R1525 | I149-I157 HydrophobicContact CG2-CD1 4.08Å; I149-L167 HydrophobicContact CD1-CD1 3.8Å; I149-K170 HydrophobicContact CG2-CB 3.74Å; I149-K170 HydrophobicContact CG2-CD 4.43Å; I149-H171 HydrophobicContact CD1-CB 3.6Å; I149-W1431 HydrophobicContact CD1-CZ2 3.49Å; I149-W1431 VanDerWaalsContact CD1-CZ2 3.49Å; I149-W1431 VanDerWaalsContact CD1-NE1 3.28Å; I149-E1433 PolarHBondContact N-OE1 3.05Å; I149-R1525 PolarHBondContact O-NH2 3.36Å | ||
| 150 | R | 74.2 | Confident | 72 | Confident | 28 Ų | 28 | 45.5 Ų | 45.5 | 11% | 0.106 | 22% | 0.216 | C | C | . | . | B | Isolated β-bridge | trans | -122.9 | 159.8 | -178 | -61.5 | 177.3 | -169.6 | 89.4 | -13.2 | 111 | E79 H133 I148 E155 Y156 I157 | E79-R150 IonicContact OE1-CZ 2.63Å; E79-R150 IonicContact OE1-NE 2.78Å; E79-R150 IonicContact OE1-NH2 3.59Å; E79-R150 PolarHBondContact OE1-NH2 3.38Å; E79-R150 IonicContact OE2-CZ 3.92Å; E79-R150 IonicContact OE2-NH2 2.61Å; E79-R150 PolarHBondContact OE2-NH2 3.38Å; H133-R150 VanDerWaalsContact CE1-CD 3.41Å; H133-R150 WeakPolarHBondContact CE1-CD 3.38Å; H133-R150 PolarHBondContact CE1-NE 3.17Å; H133-R150 WeakPolarHBondContact ND1-CD 3.44Å; H133-R150 PolarHBondContact ND1-NE 2.92Å; H133-R150 PolarHBondContact ND1-NH2 2.81Å; I148-R150 HydrophobicContact CG2-CG 4.43Å; I148-R150 PolarHBondContact O-NH1 2.69Å; I148-R150 VanDerWaalsContact O-NH1 3.15Å; R150-E155 VanDerWaalsContact CA-O 3.28Å; R150-E155 WeakPolarHBondContact CA-O 3.32Å; R150-E155 WeakPolarHBondContact CB-O 3.33Å; R150-Y156 HydrophobicContact CG-CD1 4.15Å; R150-Y156 HydrophobicContact CG-CE1 4.48Å; R150-I157 VanDerWaalsContact C-CD1 3.41Å; R150-I157 WeakPolarHBondContact O-CD1 3.29Å |
| 151 | D | 70.4 | Confident | 71.9 | Confident | 44 Ų | 44 | 49.8 Ų | 49.8 | 24% | 0.235 | 25% | 0.246 | C | C | . | . | trans | -83.5 | -174.7 | 175.1 | 73.4 | 5.2 | 0 | 0 | 0 | 112.5 | N153 F154 E155 I157 | D151-N153 PolarHBondContact O-N 3.36Å; D151-N153 WeakPolarHBondContact OD1-CA 3.35Å; D151-N153 WeakPolarHBondContact OD1-CB 3.3Å; D151-N153 PolarHBondContact OD1-N 3.46Å; D151-F154 PolarHBondContact O-N 3.43Å; D151-F154 VanDerWaalsContact O-N 3.12Å; D151-F154 PolarHBondContact OD1-N 3.45Å; D151-E155 PolarHBondContact N-O 3.39Å; D151-E155 PolarHBondContact OD1-N 3.44Å; D151-I157 HydrophobicContact CB-CD1 4.09Å; D151-I157 HydrophobicContact CB-CG1 3.85Å | ||
| 152 | E | 69.1 | Low | 72.5 | Confident | 156 Ų | 156 | 49.9 Ų | 49.9 | 73% | 0.729 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -19 | -179.4 | -57.8 | -165.2 | 159.4 | 0 | 0 | 113.4 | F154 | E152-F154 VanDerWaalsContact C-N 3.32Š|
| 153 | N | 67.2 | Low | 73 | Confident | 122 Ų | 122 | 47.7 Ų | 47.7 | 65% | 0.652 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91 | 4.3 | 175 | -62.9 | -28.1 | 0 | 0 | 0 | 112.4 | D151 E155 | D151-N153 PolarHBondContact O-N 3.36Å; D151-N153 WeakPolarHBondContact OD1-CA 3.35Å; D151-N153 WeakPolarHBondContact OD1-CB 3.3Å; D151-N153 PolarHBondContact OD1-N 3.46Å; N153-E155 HydrophobicContact CB-CG 4.31Å; N153-E155 PolarHBondContact O-N 3.03Å |
| 154 | F | 67.7 | Low | 73.8 | Confident | 35 Ų | 35 | 48 Ų | 48 | 15% | 0.154 | 24% | 0.241 | C | C | . | . | S | Bend | trans | 64.2 | 18.1 | -174.4 | -50.6 | -71 | 0 | 0 | 0 | 114.8 | I126 L129 R130 H133 D151 E152 | I126-F154 HydrophobicContact CG2-CE2 4Å; I126-F154 WeakPolarHBondContact O-CE2 3.2Å; L129-F154 HydrophobicContact CB-CD2 3.82Å; L129-F154 HydrophobicContact CB-CE2 4.06Å; L129-F154 HydrophobicContact CB-CG 4.32Å; L129-F154 HydrophobicContact CD1-CD2 4.35Å; R130-F154 VanDerWaalsContact CA-CE1 3.5Å; R130-F154 VanDerWaalsContact CA-CZ 3.45Å; R130-F154 HydrophobicContact CB-CE1 3.82Å; R130-F154 HydrophobicContact CB-CE2 4.31Å; R130-F154 HydrophobicContact CB-CZ 3.4Å; R130-F154 HydrophobicContact CG-CE1 3.89Å; R130-F154 HydrophobicContact CG-CZ 3.76Å; H133-F154 HydrophobicContact CB-CD1 4.43Å; H133-F154 AromaticContact CD2-CD1 3.52Å; H133-F154 AromaticContact CD2-CG 3.7Å; D151-F154 PolarHBondContact O-N 3.43Å; D151-F154 VanDerWaalsContact O-N 3.12Å; D151-F154 PolarHBondContact OD1-N 3.45Å; E152-F154 VanDerWaalsContact C-N 3.32Å |
| 155 | E | 67.2 | Low | 74.8 | Confident | 130 Ų | 130 | 43.4 Ų | 43.4 | 61% | 0.607 | 22% | 0.221 | S | C | * | . | P | Polyproline II helix | trans | -83.3 | 152.1 | 172.9 | -62 | -170 | 166.4 | 0 | 0 | 110.4 | R150 D151 N153 I157 | R150-E155 VanDerWaalsContact CA-O 3.28Å; R150-E155 WeakPolarHBondContact CA-O 3.32Å; R150-E155 WeakPolarHBondContact CB-O 3.33Å; D151-E155 PolarHBondContact N-O 3.39Å; D151-E155 PolarHBondContact OD1-N 3.44Å; N153-E155 HydrophobicContact CB-CG 4.31Å; N153-E155 PolarHBondContact O-N 3.03Å; E155-I157 PolarHBondContact O-N 2.94Å |
| 156 | Y | 72 | Confident | 75.4 | Confident | 80 Ų | 80 | 45 Ų | 45 | 31% | 0.314 | 23% | 0.23 | S | C | . | . | B | Isolated β-bridge | trans | -68.6 | 127.7 | 177.8 | -63 | -58.9 | 0 | 0 | 0 | 110.8 | G75 E79 I148 R150 | G75-Y156 WeakPolarHBondContact CA-OH 3.47Å; G75-Y156 PolarHBondContact O-OH 3.09Å; E79-Y156 WeakPolarHBondContact OE1-CE1 3.37Å; E79-Y156 VanDerWaalsContact OE1-CZ 3.28Å; E79-Y156 PolarHBondContact OE1-OH 3.5Å; I148-Y156 HydrophobicContact CG2-CD1 3.6Å; I148-Y156 HydrophobicContact CG2-CE1 3.53Å; R150-Y156 HydrophobicContact CG-CD1 4.15Å; R150-Y156 HydrophobicContact CG-CE1 4.48Å |
| 157 | I | 71.8 | Confident | 76.3 | Confident | 14 Ų | 14 | 44.6 Ų | 44.6 | 7% | 0.072 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -78.6 | 131 | 172.9 | -62.6 | 164.2 | 0 | 0 | 0 | 108.4 | I149 R150 D151 E155 P159 I162 K170 R1525 | I149-I157 HydrophobicContact CG2-CD1 4.08Å; R150-I157 VanDerWaalsContact C-CD1 3.41Å; R150-I157 WeakPolarHBondContact O-CD1 3.29Å; D151-I157 HydrophobicContact CB-CD1 4.09Å; D151-I157 HydrophobicContact CB-CG1 3.85Å; E155-I157 PolarHBondContact O-N 2.94Å; I157-P159 WeakPolarHBondContact O-CD 3.37Å; I157-I162 HydrophobicContact CG2-CB 4.22Å; I157-I162 HydrophobicContact CG2-CD1 4.2Å; I157-I162 HydrophobicContact CG2-CG2 3.95Å; I157-K170 HydrophobicContact CD1-CD 3.44Å; I157-K170 VanDerWaalsContact CD1-CD 3.44Å; I157-R1525 PolarHBondContact O-NH2 3Å |
| 158 | N | 74.1 | Confident | 77 | Confident | 82 Ų | 82 | 45.5 Ų | 45.5 | 44% | 0.439 | 23% | 0.231 | S | C | . | . | trans | -73.8 | 114.4 | 164.3 | 176.3 | -8.4 | 0 | 0 | 0 | 108.5 | Y160 S161 | N158-Y160 PolarHBondContact O-N 2.85Å; N158-Y160 VanDerWaalsContact O-N 3.11Å; N158-Y160 VanDerWaalsContact OD1-CD2 3.31Å; N158-Y160 WeakPolarHBondContact OD1-CD2 3.39Å; N158-Y160 PolarHBondContact OD1-N 3.04Å; N158-S161 PolarHBondContact O-N 3.49Å; N158-S161 PolarHBondContact O-OG 3.46Å | ||
| 159 | P | 79.1 | Confident | 77.6 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.006 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -24.6 | -174.7 | 25.4 | -34.5 | 0 | 0 | 0 | 113.3 | I157 I162 L167 E1433 L1437 | I157-P159 WeakPolarHBondContact O-CD 3.37Å; P159-I162 WeakPolarHBondContact O-CG2 3.46Å; P159-L167 HydrophobicContact CB-CD2 4.25Å; P159-E1433 HydrophobicContact CB-CB 4.19Å; P159-L1437 VanDerWaalsContact O-CD1 3.25Å; P159-L1437 WeakPolarHBondContact O-CD1 3.44Å |
| 160 | Y | 79.9 | Confident | 78 | Confident | 38 Ų | 38 | 52.4 Ų | 52.4 | 15% | 0.149 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -19.4 | 179.8 | -54.3 | -69.9 | 0 | 0 | 0 | 113.6 | N158 L1437 N1440 I1526 Q1528 | N158-Y160 PolarHBondContact O-N 2.85Å; N158-Y160 VanDerWaalsContact O-N 3.11Å; N158-Y160 VanDerWaalsContact OD1-CD2 3.31Å; N158-Y160 WeakPolarHBondContact OD1-CD2 3.39Å; N158-Y160 PolarHBondContact OD1-N 3.04Å; Y160-L1437 HydrophobicContact CD1-CD1 3.96Å; Y160-N1440 HydrophobicContact CD1-CB 4.4Å; Y160-N1440 HydrophobicContact CE1-CB 3.93Å; Y160-I1526 PolarHBondContact OH-O 3.31Å; Y160-Q1528 HydrophobicContact CD2-CG 3.97Å; Y160-Q1528 VanDerWaalsContact CD2-NE2 3.35Å; Y160-Q1528 HydrophobicContact CE2-CG 3.48Å; Y160-Q1528 VanDerWaalsContact CE2-CG 3.48Å; Y160-Q1528 VanDerWaalsContact CE2-NE2 3.33Å |
| 161 | S | 74.4 | Confident | 78.4 | Confident | 90 Ų | 90 | 52 Ų | 52 | 63% | 0.629 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -13.9 | -180 | 69.7 | 0 | 0 | 0 | 0 | 113.9 | N158 | N158-S161 PolarHBondContact O-N 3.49Å; N158-S161 PolarHBondContact O-OG 3.46Å |
| 162 | I | 81.3 | Confident | 78.9 | Confident | 21 Ų | 21 | 53.4 Ų | 53.4 | 11% | 0.108 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -108.7 | 152.6 | -174.9 | -170.4 | 163.8 | 0 | 0 | 0 | 110.8 | I157 P159 D166 L167 K170 | I157-I162 HydrophobicContact CG2-CB 4.22Å; I157-I162 HydrophobicContact CG2-CD1 4.2Å; I157-I162 HydrophobicContact CG2-CG2 3.95Å; P159-I162 WeakPolarHBondContact O-CG2 3.46Å; I162-D166 HydrophobicContact CD1-CB 3.84Å; I162-D166 HydrophobicContact CG1-CB 3.67Å; I162-L167 HydrophobicContact CD1-CB 4.5Å; I162-L167 HydrophobicContact CG2-CB 3.94Å; I162-L167 HydrophobicContact CG2-CD1 4.22Å; I162-L167 HydrophobicContact CG2-CD2 4.23Å; I162-L167 HydrophobicContact CG2-CG 4.33Å; I162-K170 HydrophobicContact CD1-CD 3.94Å |
| 163 | S | 82.3 | Confident | 79.4 | Confident | 32 Ų | 32 | 51.6 Ų | 51.6 | 22% | 0.224 | 25% | 0.252 | C | S | . | . | trans | -67.6 | 146.6 | 172.5 | 82.5 | 0 | 0 | 0 | 0 | 110.1 | I165 D166 L167 | S163-I165 PolarHBondContact O-N 3.4Å; S163-D166 PolarHBondContact O-N 3.23Å; S163-D166 WeakPolarHBondContact OG-CB 3.47Å; S163-D166 PolarHBondContact OG-N 3.46Å; S163-D166 PolarHBondContact OG-OD2 2.83Å; S163-L167 WeakPolarHBondContact O-CB 3.2Å; S163-L167 PolarHBondContact O-N 2.88Å | ||
| 164 | P | 88.1 | Confident | 79.9 | Confident | 7 Ų | 7 | 46.9 Ų | 46.9 | 5% | 0.045 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.9 | -31.7 | 177 | -22.1 | 32 | 0 | 0 | 0 | 112.7 | H168 T1303 M1434 L1437 | P164-H168 WeakPolarHBondContact O-CB 3.48Å; P164-H168 PolarHBondContact O-N 2.9Å; P164-T1303 HydrophobicContact CB-CG2 4.08Å; P164-M1434 HydrophobicContact CB-CE 3.82Å; P164-M1434 HydrophobicContact CB-SD 4.39Å; P164-L1437 HydrophobicContact CB-CD2 4.01Å; P164-L1437 HydrophobicContact CG-CD2 3.88Å; P164-L1437 HydrophobicContact CG-CG 4.43Å |
| 165 | I | 89.3 | Confident | 80.2 | Confident | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -72.4 | -46.7 | 179.6 | -60.1 | 159 | 0 | 0 | 0 | 111.2 | S163 L167 H168 W169 L1123 M1126 D1127 T1303 S1307 | S163-I165 PolarHBondContact O-N 3.4Å; I165-L167 VanDerWaalsContact C-N 3.27Å; I165-L167 PolarHBondContact O-N 2.89Å; I165-H168 WeakPolarHBondContact O-CA 3.48Å; I165-H168 WeakPolarHBondContact O-CB 3.27Å; I165-H168 PolarHBondContact O-N 3.05Å; I165-H168 VanDerWaalsContact O-N 3.15Å; I165-W169 PolarHBondContact O-N 3.1Å; I165-L1123 HydrophobicContact CG1-CD2 4.38Å; I165-L1123 HydrophobicContact CG2-CB 4.47Å; I165-L1123 HydrophobicContact CG2-CD2 4.34Å; I165-M1126 HydrophobicContact CD1-CB 3.59Å; I165-D1127 HydrophobicContact CG2-CB 3.73Å; I165-T1303 HydrophobicContact CB-CG2 4.42Å; I165-T1303 HydrophobicContact CG1-CG2 3.84Å; I165-S1307 WeakPolarHBondContact CG1-OG 3.25Å |
| 166 | D | 85.4 | Confident | 80.5 | Confident | 45 Ų | 45 | 47.6 Ų | 47.6 | 24% | 0.241 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.6 | -37 | 177.1 | -68.6 | -53.6 | 0 | 0 | 0 | 111.1 | I162 S163 H168 W169 K170 K1131 | I162-D166 HydrophobicContact CD1-CB 3.84Å; I162-D166 HydrophobicContact CG1-CB 3.67Å; S163-D166 PolarHBondContact O-N 3.23Å; S163-D166 WeakPolarHBondContact OG-CB 3.47Å; S163-D166 PolarHBondContact OG-N 3.46Å; S163-D166 PolarHBondContact OG-OD2 2.83Å; D166-H168 VanDerWaalsContact C-N 3.34Å; D166-W169 PolarHBondContact O-N 3.42Å; D166-K170 WeakPolarHBondContact O-CG 3.31Å; D166-K170 PolarHBondContact O-N 3.46Å; D166-K1131 WeakPolarHBondContact OD1-CE 3.4Å; D166-K1131 IonicContact OD1-NZ 3.39Å; D166-K1131 PolarHBondContact OD1-NZ 3.29Å |
| 167 | L | 87.6 | Confident | 80.4 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.6 | -41.5 | 174.4 | -174.3 | 56 | 0 | 0 | 0 | 111.2 | I149 P159 I162 S163 I165 K170 H171 W1431 M1434 L1437 | I149-L167 HydrophobicContact CD1-CD1 3.8Å; P159-L167 HydrophobicContact CB-CD2 4.25Å; I162-L167 HydrophobicContact CD1-CB 4.5Å; I162-L167 HydrophobicContact CG2-CB 3.94Å; I162-L167 HydrophobicContact CG2-CD1 4.22Å; I162-L167 HydrophobicContact CG2-CD2 4.23Å; I162-L167 HydrophobicContact CG2-CG 4.33Å; S163-L167 WeakPolarHBondContact O-CB 3.2Å; S163-L167 PolarHBondContact O-N 2.88Å; I165-L167 VanDerWaalsContact C-N 3.27Å; I165-L167 PolarHBondContact O-N 2.89Å; L167-K170 PolarHBondContact O-N 3.44Å; L167-H171 PolarHBondContact O-N 3.37Å; L167-W1431 HydrophobicContact CD1-CZ2 4.25Å; L167-W1431 HydrophobicContact CD2-CZ2 4.48Å; L167-W1431 HydrophobicContact CG-CH2 4.37Å; L167-W1431 HydrophobicContact CG-CZ2 3.78Å; L167-M1434 HydrophobicContact CD2-SD 4.01Å; L167-M1434 HydrophobicContact CG-SD 4.39Å; L167-L1437 HydrophobicContact CD2-CD2 3.74Å |
| 168 | H | 88.6 | Confident | 80.3 | Confident | 24 Ų | 24 | 47.7 Ų | 47.7 | 11% | 0.111 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.6 | -47.3 | 171 | -175.7 | 93 | 0 | 0 | 0 | 113.4 | P164 I165 D166 K170 H171 K172 L1123 T1303 Y1365 W1431 | P164-H168 WeakPolarHBondContact O-CB 3.48Å; P164-H168 PolarHBondContact O-N 2.9Å; I165-H168 WeakPolarHBondContact O-CA 3.48Å; I165-H168 WeakPolarHBondContact O-CB 3.27Å; I165-H168 PolarHBondContact O-N 3.05Å; I165-H168 VanDerWaalsContact O-N 3.15Å; D166-H168 VanDerWaalsContact C-N 3.34Å; H168-K170 VanDerWaalsContact C-N 3.33Å; H168-K170 PolarHBondContact O-N 3.33Å; H168-H171 PolarHBondContact O-N 2.84Å; H168-K172 WeakPolarHBondContact O-CB 3.34Å; H168-K172 PolarHBondContact O-N 3.45Å; H168-L1123 VanDerWaalsContact CD2-CD1 3.43Å; H168-L1123 WeakPolarHBondContact CD2-CD1 3.03Å; H168-L1123 WeakPolarHBondContact NE2-CD1 3.17Å; H168-T1303 HydrophobicContact CB-CG2 4.28Å; H168-Y1365 AromaticContact ND1-CE1 3.94Å; H168-Y1365 AromaticContact ND1-CZ 3.78Å; H168-Y1365 PolarHBondContact ND1-OH 2.84Å; H168-W1431 HydrophobicContact CB-CH2 4.25Å |
| 169 | W | 84.7 | Confident | 79.9 | Confident | 78 Ų | 78 | 48.6 Ų | 48.6 | 30% | 0.295 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.2 | -41.6 | 177.7 | -77.4 | 117.3 | 0 | 0 | 0 | 112.5 | I165 D166 K172 K173 D1120 L1123 | I165-W169 PolarHBondContact O-N 3.1Å; D166-W169 PolarHBondContact O-N 3.42Å; W169-K172 HydrophobicContact CZ3-CD 4.32Å; W169-K172 PolarHBondContact O-N 2.96Å; W169-K173 WeakPolarHBondContact O-CB 3.39Å; W169-K173 PolarHBondContact O-N 3.3Å; W169-D1120 HydrophobicContact CH2-CB 4.15Å; W169-L1123 HydrophobicContact CZ2-CB 4.04Å |
| 170 | K | 83 | Confident | 79.1 | Confident | 72 Ų | 72 | 52.4 Ų | 52.4 | 31% | 0.313 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.7 | -40.4 | 176.3 | -72.8 | -175.5 | 179.3 | -176.6 | 0 | 112.3 | I149 I157 I162 D166 L167 H168 K173 L174 | I149-K170 HydrophobicContact CG2-CB 3.74Å; I149-K170 HydrophobicContact CG2-CD 4.43Å; I157-K170 HydrophobicContact CD1-CD 3.44Å; I157-K170 VanDerWaalsContact CD1-CD 3.44Å; I162-K170 HydrophobicContact CD1-CD 3.94Å; D166-K170 WeakPolarHBondContact O-CG 3.31Å; D166-K170 PolarHBondContact O-N 3.46Å; L167-K170 PolarHBondContact O-N 3.44Å; H168-K170 VanDerWaalsContact C-N 3.33Å; H168-K170 PolarHBondContact O-N 3.33Å; K170-K173 PolarHBondContact O-N 3.19Å; K170-L174 PolarHBondContact O-N 3.43Å |
| 171 | H | 83.1 | Confident | 78.3 | Confident | 20 Ų | 20 | 52.7 Ų | 52.7 | 9% | 0.093 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.3 | -48.1 | 174.4 | -175.5 | 59.5 | 0 | 0 | 0 | 112.3 | F147 I149 L167 H168 K173 L174 I175 W1431 | F147-H171 AromaticContact CD2-CE1 3.94Å; I149-H171 HydrophobicContact CD1-CB 3.6Å; L167-H171 PolarHBondContact O-N 3.37Å; H168-H171 PolarHBondContact O-N 2.84Å; H171-K173 VanDerWaalsContact C-N 3.29Å; H171-K173 PolarHBondContact O-N 3.01Å; H171-L174 WeakPolarHBondContact O-CB 3.17Å; H171-L174 PolarHBondContact O-N 3.09Å; H171-L174 VanDerWaalsContact O-N 3.14Å; H171-I175 WeakPolarHBondContact NE2-CD1 3.49Å; H171-I175 PolarHBondContact O-N 3.03Å; H171-W1431 HydrophobicContact CB-CD2 4.41Å; H171-W1431 HydrophobicContact CB-CE3 4.41Å; H171-W1431 HydrophobicContact CB-CH2 3.5Å; H171-W1431 VanDerWaalsContact CB-CH2 3.5Å; H171-W1431 HydrophobicContact CB-CZ2 3.33Å; H171-W1431 HydrophobicContact CB-CZ3 4Å; H171-W1431 AromaticContact CD2-CD2 3.74Å; H171-W1431 AromaticContact CD2-CE3 3.37Å; H171-W1431 AromaticContact CD2-CH2 3.96Å; H171-W1431 AromaticContact CD2-CZ3 3.51Å; H171-W1431 AromaticContact CE1-CD2 3.95Å; H171-W1431 AromaticContact CG-CD2 3.8Å; H171-W1431 AromaticContact CG-CE2 3.66Å; H171-W1431 AromaticContact CG-CE3 3.83Å; H171-W1431 AromaticContact CG-CH2 3.83Å; H171-W1431 AromaticContact CG-CZ2 3.66Å; H171-W1431 AromaticContact CG-CZ3 3.87Å; H171-W1431 AromaticContact ND1-CD2 3.93Å; H171-W1431 AromaticContact ND1-CE2 3.84Å; H171-W1431 AromaticContact NE2-CD2 3.82Å; H171-W1431 AromaticContact NE2-CE3 3.67Å |
| 172 | K | 81.5 | Confident | 77.5 | Confident | 73 Ų | 73 | 51.7 Ų | 51.7 | 32% | 0.317 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.2 | -40.2 | 178 | -169.3 | 174.9 | -171.3 | 174.9 | 0 | 111.6 | H168 W169 I175 K176 D1120 | H168-K172 WeakPolarHBondContact O-CB 3.34Å; H168-K172 PolarHBondContact O-N 3.45Å; W169-K172 HydrophobicContact CZ3-CD 4.32Å; W169-K172 PolarHBondContact O-N 2.96Å; K172-I175 PolarHBondContact O-N 3.22Å; K172-K176 WeakPolarHBondContact O-CB 3.41Å; K172-K176 PolarHBondContact O-N 3.01Å; K172-D1120 IonicContact NZ-OD1 2.9Å; K172-D1120 PolarHBondContact NZ-OD1 3.41Å; K172-D1120 IonicContact NZ-OD2 3.93Å; K172-D1120 PolarHBondContact NZ-OD2 3.26Å |
| 173 | K | 80.1 | Confident | 76 | Confident | 117 Ų | 117 | 55.3 Ų | 55.3 | 51% | 0.509 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.6 | -46 | 173.6 | -176.6 | 179.3 | 174.2 | -176.2 | 0 | 111.7 | W169 K170 H171 K176 E177 | W169-K173 WeakPolarHBondContact O-CB 3.39Å; W169-K173 PolarHBondContact O-N 3.3Å; K170-K173 PolarHBondContact O-N 3.19Å; H171-K173 VanDerWaalsContact C-N 3.29Å; H171-K173 PolarHBondContact O-N 3.01Å; K173-K176 PolarHBondContact O-N 3.47Å; K173-E177 WeakPolarHBondContact CE-OE1 3.49Å; K173-E177 WeakPolarHBondContact O-CB 3.47Å; K173-E177 WeakPolarHBondContact O-CG 3.34Å; K173-E177 PolarHBondContact O-N 2.85Å |
| 174 | L | 76.7 | Confident | 74.2 | Confident | 24 Ų | 24 | 57.4 Ų | 57.4 | 13% | 0.126 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.7 | -45 | 177.4 | -178.8 | 71.3 | 0 | 0 | 0 | 112.1 | F147 K170 H171 K176 E177 L178 | F147-L174 HydrophobicContact CD1-CD2 4.31Å; K170-L174 PolarHBondContact O-N 3.43Å; H171-L174 WeakPolarHBondContact O-CB 3.17Å; H171-L174 PolarHBondContact O-N 3.09Å; H171-L174 VanDerWaalsContact O-N 3.14Å; L174-K176 VanDerWaalsContact C-N 3.34Å; L174-E177 PolarHBondContact O-N 3.47Å; L174-L178 HydrophobicContact CG-CD1 4.27Å; L174-L178 WeakPolarHBondContact O-CG 3.11Å; L174-L178 PolarHBondContact O-N 3.4Å |
| 175 | I | 74.8 | Confident | 72.2 | Confident | 53 Ų | 53 | 58.7 Ų | 58.7 | 27% | 0.272 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.6 | -46.9 | 176.3 | -70.4 | 174.6 | 0 | 0 | 0 | 110 | H171 K172 E177 L178 E179 | H171-I175 WeakPolarHBondContact NE2-CD1 3.49Å; H171-I175 PolarHBondContact O-N 3.03Å; K172-I175 PolarHBondContact O-N 3.22Å; I175-E177 VanDerWaalsContact C-N 3.34Å; I175-E177 PolarHBondContact O-N 2.98Å; I175-L178 WeakPolarHBondContact O-CB 3.33Å; I175-L178 PolarHBondContact O-N 3.31Å; I175-L178 VanDerWaalsContact O-N 3.13Å; I175-E179 HydrophobicContact CG2-CG 4.3Å; I175-E179 WeakPolarHBondContact O-CG 3.22Å; I175-E179 PolarHBondContact O-N 3.36Å |
| 176 | K | 71.9 | Confident | 69.9 | Low | 126 Ų | 126 | 64.9 Ų | 64.9 | 55% | 0.548 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.7 | -41.3 | 177.7 | -172.1 | 179.9 | 177.1 | -177.7 | 0 | 112 | K172 K173 L174 L178 E179 D180 | K172-K176 WeakPolarHBondContact O-CB 3.41Å; K172-K176 PolarHBondContact O-N 3.01Å; K173-K176 PolarHBondContact O-N 3.47Å; L174-K176 VanDerWaalsContact C-N 3.34Å; K176-L178 VanDerWaalsContact C-N 3.3Å; K176-L178 PolarHBondContact O-N 3.01Å; K176-E179 PolarHBondContact O-N 2.84Å; K176-D180 VanDerWaalsContact O-CB 3.22Å; K176-D180 WeakPolarHBondContact O-CB 3.35Å; K176-D180 PolarHBondContact O-N 3.39Å |
| 177 | E | 71.2 | Confident | 67.7 | Low | 82 Ų | 82 | 65.9 Ų | 65.9 | 38% | 0.383 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.5 | -35.2 | 174.8 | -75.7 | 175 | -174.8 | 0 | 0 | 112.2 | K173 L174 I175 S181 | K173-E177 WeakPolarHBondContact CE-OE1 3.49Å; K173-E177 WeakPolarHBondContact O-CB 3.47Å; K173-E177 WeakPolarHBondContact O-CG 3.34Å; K173-E177 PolarHBondContact O-N 2.85Å; L174-E177 PolarHBondContact O-N 3.47Å; I175-E177 VanDerWaalsContact C-N 3.34Å; I175-E177 PolarHBondContact O-N 2.98Å; E177-S181 WeakPolarHBondContact O-CB 3.37Å; E177-S181 PolarHBondContact O-N 2.96Å |
| 178 | L | 68.5 | Low | 65.5 | Low | 14 Ų | 14 | 68.8 Ų | 68.8 | 7% | 0.073 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -69.8 | -45 | 173.7 | -73.4 | 167.4 | 0 | 0 | 0 | 111.7 | M138 F147 L174 I175 K176 S181 E182 | M138-L178 HydrophobicContact CB-CD2 3.95Å; F147-L178 HydrophobicContact CE1-CD1 3.6Å; F147-L178 HydrophobicContact CZ-CD1 3.86Å; L174-L178 HydrophobicContact CG-CD1 4.27Å; L174-L178 WeakPolarHBondContact O-CG 3.11Å; L174-L178 PolarHBondContact O-N 3.4Å; I175-L178 WeakPolarHBondContact O-CB 3.33Å; I175-L178 PolarHBondContact O-N 3.31Å; I175-L178 VanDerWaalsContact O-N 3.13Å; K176-L178 VanDerWaalsContact C-N 3.3Å; K176-L178 PolarHBondContact O-N 3.01Å; L178-S181 CarbonylContact O-C 3.59Å; L178-S181 PolarHBondContact O-N 3.27Å; L178-E182 WeakPolarHBondContact O-CB 3.4Å; L178-E182 WeakPolarHBondContact O-CG 3.47Å; L178-E182 PolarHBondContact O-N 3.18Å |
| 179 | E | 65.5 | Low | 63.5 | Low | 101 Ų | 101 | 70.1 Ų | 70.1 | 47% | 0.472 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.3 | -46.9 | 175.2 | -72.5 | 177.7 | 172.9 | 0 | 0 | 111.2 | I175 K176 S181 E182 L183 | I175-E179 HydrophobicContact CG2-CG 4.3Å; I175-E179 WeakPolarHBondContact O-CG 3.22Å; I175-E179 PolarHBondContact O-N 3.36Å; K176-E179 PolarHBondContact O-N 2.84Å; E179-S181 VanDerWaalsContact C-N 3.3Å; E179-S181 PolarHBondContact O-N 3.27Å; E179-E182 PolarHBondContact O-N 2.97Å; E179-L183 VanDerWaalsContact O-CB 3.28Å; E179-L183 WeakPolarHBondContact O-CB 3.25Å; E179-L183 WeakPolarHBondContact O-CD1 3.39Å; E179-L183 VanDerWaalsContact O-CG 3.23Å; E179-L183 WeakPolarHBondContact O-CG 3.3Å; E179-L183 PolarHBondContact O-N 3.15Å |
| 180 | D | 63.8 | Low | 61.7 | Low | 82 Ų | 82 | 75 Ų | 75 | 44% | 0.439 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.6 | -35.9 | 175.3 | -72.1 | -20.7 | 0 | 0 | 0 | 110.8 | K176 S184 | K176-D180 VanDerWaalsContact O-CB 3.22Å; K176-D180 WeakPolarHBondContact O-CB 3.35Å; K176-D180 PolarHBondContact O-N 3.39Å; D180-S184 WeakPolarHBondContact O-CB 3.38Å; D180-S184 PolarHBondContact O-N 3.23Å; D180-S184 PolarHBondContact O-OG 2.98Å |
| 181 | S | 61.7 | Low | 60.1 | Low | 44 Ų | 44 | 78.3 Ų | 78.3 | 31% | 0.308 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -68.7 | -37.4 | 173.7 | -172.5 | 0 | 0 | 0 | 0 | 112.4 | E177 L178 E179 S184 A185 | E177-S181 WeakPolarHBondContact O-CB 3.37Å; E177-S181 PolarHBondContact O-N 2.96Å; L178-S181 CarbonylContact O-C 3.59Å; L178-S181 PolarHBondContact O-N 3.27Å; E179-S181 VanDerWaalsContact C-N 3.3Å; E179-S181 PolarHBondContact O-N 3.27Å; S181-S184 VanDerWaalsContact CA-OG 3.28Å; S181-S184 WeakPolarHBondContact CA-OG 3.39Å; S181-S184 PolarHBondContact O-OG 2.93Å; S181-S184 VanDerWaalsContact O-OG 3.06Å; S181-A185 VanDerWaalsContact O-CB 3.23Å; S181-A185 WeakPolarHBondContact O-CB 3.48Å; S181-A185 PolarHBondContact O-N 3.49Å |
| 182 | E | 57.8 | Low | 58.9 | Low | 69 Ų | 69 | 79.2 Ų | 79.2 | 32% | 0.322 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -73.1 | -39.2 | 175.6 | -74.6 | -168.1 | 162.3 | 0 | 0 | 111.6 | M138 L178 E179 A185 Q186 | M138-E182 HydrophobicContact SD-CG 4.41Å; L178-E182 WeakPolarHBondContact O-CB 3.4Å; L178-E182 WeakPolarHBondContact O-CG 3.47Å; L178-E182 PolarHBondContact O-N 3.18Å; E179-E182 PolarHBondContact O-N 2.97Å; E182-A185 PolarHBondContact O-N 3.08Å; E182-Q186 WeakPolarHBondContact O-CB 3.16Å; E182-Q186 VanDerWaalsContact O-CG 3.23Å; E182-Q186 WeakPolarHBondContact O-CG 3.27Å; E182-Q186 PolarHBondContact O-N 2.66Å |
| 183 | L | 49.7 | Very low | 58.3 | Low | 97 Ų | 97 | 76.1 Ų | 76.1 | 51% | 0.508 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -67 | -43.3 | 174.3 | -75.2 | 163.6 | 0 | 0 | 0 | 111.6 | E179 Q186 C187 | E179-L183 VanDerWaalsContact O-CB 3.28Å; E179-L183 WeakPolarHBondContact O-CB 3.25Å; E179-L183 WeakPolarHBondContact O-CD1 3.39Å; E179-L183 VanDerWaalsContact O-CG 3.23Å; E179-L183 WeakPolarHBondContact O-CG 3.3Å; E179-L183 PolarHBondContact O-N 3.15Å; L183-Q186 CarbonylContact O-C 3.56Å; L183-Q186 PolarHBondContact O-N 2.74Å; L183-Q186 VanDerWaalsContact O-N 3.09Å; L183-C187 WeakPolarHBondContact O-CB 3.18Å; L183-C187 PolarHBondContact O-N 3.46Å |
| 184 | S | 44.9 | Very low | 58.3 | Low | 76 Ų | 76 | 71.8 Ų | 71.8 | 53% | 0.531 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -67.5 | -36.7 | 175.6 | 58.5 | 0 | 0 | 0 | 0 | 111.9 | D180 S181 Q186 C187 | D180-S184 WeakPolarHBondContact O-CB 3.38Å; D180-S184 PolarHBondContact O-N 3.23Å; D180-S184 PolarHBondContact O-OG 2.98Å; S181-S184 VanDerWaalsContact CA-OG 3.28Å; S181-S184 WeakPolarHBondContact CA-OG 3.39Å; S181-S184 PolarHBondContact O-OG 2.93Å; S181-S184 VanDerWaalsContact O-OG 3.06Å; S184-Q186 PolarHBondContact O-N 2.98Å; S184-C187 PolarHBondContact O-N 2.73Å |
| 185 | A | 46.3 | Very low | 58.7 | Low | 34 Ų | 34 | 70.7 Ų | 70.7 | 28% | 0.281 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.3 | -34.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | S181 E182 S375 L378 | S181-A185 VanDerWaalsContact O-CB 3.23Å; S181-A185 WeakPolarHBondContact O-CB 3.48Å; S181-A185 PolarHBondContact O-N 3.49Å; E182-A185 PolarHBondContact O-N 3.08Å; A185-S375 WeakPolarHBondContact O-CB 3.26Å; A185-L378 HydrophobicContact CB-CD1 4.28Å |
| 186 | Q | 41.8 | Very low | 59.2 | Low | 132 Ų | 132 | 70.6 Ų | 70.6 | 62% | 0.617 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -80.4 | -23.3 | 179.2 | -72.9 | 172.9 | 30.8 | 0 | 0 | 114.5 | E182 L183 S184 | E182-Q186 WeakPolarHBondContact O-CB 3.16Å; E182-Q186 VanDerWaalsContact O-CG 3.23Å; E182-Q186 WeakPolarHBondContact O-CG 3.27Å; E182-Q186 PolarHBondContact O-N 2.66Å; L183-Q186 CarbonylContact O-C 3.56Å; L183-Q186 PolarHBondContact O-N 2.74Å; L183-Q186 VanDerWaalsContact O-N 3.09Å; S184-Q186 PolarHBondContact O-N 2.98Å |
| 187 | C | 38.2 | Very low | 59.9 | Low | 66 Ų | 66 | 64.6 Ų | 64.6 | 45% | 0.446 | 34% | 0.342 | S | S | . | . | trans | -137.6 | 61.7 | -165.9 | -70.6 | 0 | 0 | 0 | 0 | 116.2 | L183 S184 A189 | L183-C187 WeakPolarHBondContact O-CB 3.18Å; L183-C187 PolarHBondContact O-N 3.46Å; S184-C187 PolarHBondContact O-N 2.73Å; C187-A189 PolarHBondContact O-N 2.93Å | ||
| 188 | P | 41.4 | Very low | 60.6 | Low | 61 Ų | 61 | 64.4 Ų | 64.4 | 40% | 0.396 | 34% | 0.338 | S | S | . | . | trans | -69.5 | 7.1 | 169.9 | 27.8 | -32.4 | 0 | 0 | 0 | 114.2 | Y190 | P188-Y190 PolarHBondContact O-N 3.3Š| ||
| 189 | A | 46.3 | Very low | 61.4 | Low | 52 Ų | 52 | 63.9 Ų | 63.9 | 43% | 0.43 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | 18.6 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | C187 P305 | C187-A189 PolarHBondContact O-N 2.93Å; A189-P305 WeakPolarHBondContact O-CB 3.25Å |
| 190 | Y | 46.7 | Very low | 62.2 | Low | 180 Ų | 180 | 63.1 Ų | 63.1 | 71% | 0.706 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.1 | 2.4 | -175.8 | -68.8 | -76.3 | 0 | 0 | 0 | 115.4 | P188 | P188-Y190 PolarHBondContact O-N 3.3Š|
| 191 | H | 50.2 | Low | 63 | Low | 141 Ų | 141 | 63.6 Ų | 63.6 | 65% | 0.653 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -107 | 142.2 | 176 | -68.8 | -40.2 | 0 | 0 | 0 | 112.3 | ||
| 192 | P | 57.9 | Low | 63.8 | Low | 39 Ų | 39 | 61.9 Ų | 61.9 | 25% | 0.253 | 32% | 0.321 | S | S | . | . | trans | -62.6 | 139.7 | 173.7 | 26.4 | -32.6 | 0 | 0 | 0 | 110 | L303 S468 | P192-L303 CarbonylContact C-O 3.57Å; P192-L303 WeakPolarHBondContact CA-O 3.38Å; P192-S468 PolarHBondContact O-OG 3.49Å | ||
| 193 | F | 68.9 | Low | 64.7 | Low | 8 Ų | 8 | 59.4 Ų | 59.4 | 4% | 0.035 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 157.1 | -177.8 | 66.4 | -86.2 | 0 | 0 | 0 | 111.5 | L303 D304 F306 I313 I368 F372 V465 | F193-L303 HydrophobicContact CD1-CB 4.32Å; F193-L303 HydrophobicContact CD2-CB 4.31Å; F193-L303 HydrophobicContact CD2-CD1 4.31Å; F193-L303 HydrophobicContact CE1-CB 3.97Å; F193-L303 HydrophobicContact CE2-CB 3.97Å; F193-L303 HydrophobicContact CE2-CD1 3.66Å; F193-L303 HydrophobicContact CE2-CG 4.44Å; F193-L303 HydrophobicContact CG-CB 4.49Å; F193-L303 HydrophobicContact CZ-CB 3.79Å; F193-L303 HydrophobicContact CZ-CD1 4.05Å; F193-L303 PolarHBondContact N-O 3.22Å; F193-L303 WeakPolarHBondContact O-CB 3.32Å; F193-L303 PolarHBondContact O-N 2.81Å; F193-D304 WeakPolarHBondContact CE1-O 3.47Å; F193-F306 HydrophobicContact CE1-CD1 4.34Å; F193-F306 HydrophobicContact CZ-CD1 4.31Å; F193-F306 HydrophobicContact CZ-CE1 4.24Å; F193-I313 HydrophobicContact CZ-CD1 4.16Å; F193-I368 HydrophobicContact CE2-CG2 4.34Å; F193-F372 HydrophobicContact CD1-CE1 4.5Å; F193-F372 AromaticContact CD1-CZ 3.92Å; F193-F372 HydrophobicContact CD1-CZ 3.92Å; F193-F372 AromaticContact CE1-CZ 3.88Å; F193-F372 HydrophobicContact CE1-CZ 3.88Å; F193-F372 HydrophobicContact CG-CZ 4.33Å; F193-F372 HydrophobicContact CZ-CZ 4.26Å; F193-V465 HydrophobicContact CB-CG1 4.09Å; F193-V465 HydrophobicContact CD2-CG1 3.9Å; F193-V465 HydrophobicContact CG-CG1 4.27Å |
| 194 | N | 79.6 | Confident | 65.9 | Low | 27 Ų | 27 | 61.6 Ų | 61.6 | 14% | 0.144 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 142.5 | 174.2 | -65.8 | -27.1 | 0 | 0 | 0 | 108.7 | V299 F300 T301 N302 L466 | N194-V299 HydrophobicContact CB-CG1 4.49Å; N194-F300 CarbonylContact C-O 3.41Å; N194-F300 VanDerWaalsContact CA-O 3.27Å; N194-F300 WeakPolarHBondContact CA-O 3.16Å; N194-T301 WeakPolarHBondContact OD1-CA 3.45Å; N194-N302 PolarHBondContact OD1-N 3.21Å; N194-L466 HydrophobicContact CB-CB 3.9Å; N194-L466 PolarHBondContact N-O 2.95Å; N194-L466 PolarHBondContact O-N 3.46Å |
| 195 | L | 85.5 | Confident | 67.4 | Low | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 117.7 | 179.4 | -177 | 79.2 | 0 | 0 | 0 | 109.7 | V197 L211 V299 F300 L303 I364 I368 I463 V465 | L195-V197 HydrophobicContact CD2-CG2 4.17Å; L195-V197 HydrophobicContact CG-CG2 4.26Å; L195-L211 HydrophobicContact CD2-CD1 3.92Å; L195-L211 HydrophobicContact CD2-CD2 4.37Å; L195-V299 CarbonylContact O-C 3.52Å; L195-V299 WeakPolarHBondContact O-CA 3.41Å; L195-F300 HydrophobicContact CB-CB 4.26Å; L195-F300 HydrophobicContact CB-CD2 4.38Å; L195-F300 HydrophobicContact CD2-CD2 4.06Å; L195-F300 HydrophobicContact CG-CD2 4.49Å; L195-F300 PolarHBondContact N-O 3Å; L195-F300 PolarHBondContact O-N 3.06Å; L195-L303 HydrophobicContact CB-CD1 3.84Å; L195-I364 HydrophobicContact CD2-CD1 3.55Å; L195-I368 HydrophobicContact CD1-CD1 4.1Å; L195-I368 HydrophobicContact CD1-CG1 3.97Å; L195-I368 HydrophobicContact CD2-CD1 4.49Å; L195-I463 HydrophobicContact CD1-CG2 3.84Å; L195-V465 HydrophobicContact CD1-CG2 4.17Å |
| 196 | R | 85.4 | Confident | 69 | Low | 51 Ų | 51 | 58.7 Ų | 58.7 | 19% | 0.192 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 131.3 | 175.9 | 175.8 | -176.5 | 83.3 | -179.1 | 1.5 | 110.6 | E297 V298 V299 E462 I463 T464 L466 | R196-E297 VanDerWaalsContact CD-OE1 3.32Å; R196-E297 WeakPolarHBondContact CD-OE1 3.46Å; R196-E297 HydrophobicContact CG-CG 4.26Å; R196-V298 CarbonylContact C-O 3.54Å; R196-V298 WeakPolarHBondContact CA-O 3.36Å; R196-V299 HydrophobicContact CB-CG2 4.26Å; R196-V299 HydrophobicContact CG-CG2 4.21Å; R196-E462 IonicContact CZ-OE1 3.57Å; R196-E462 IonicContact NH2-OE1 3.41Å; R196-E462 PolarHBondContact NH2-OE1 3.31Å; R196-I463 WeakPolarHBondContact O-CA 3.35Å; R196-T464 WeakPolarHBondContact CB-OG1 3.3Å; R196-T464 PolarHBondContact N-O 2.79Å; R196-T464 PolarHBondContact NE-OG1 2.98Å; R196-T464 PolarHBondContact NH2-OG1 3.06Å; R196-T464 PolarHBondContact O-N 3.22Å; R196-L466 HydrophobicContact CB-CD1 3.73Å; R196-L466 HydrophobicContact CB-CG 3.99Å |
| 197 | V | 87.3 | Confident | 71 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 124.4 | 177.9 | -172.5 | 0 | 0 | 0 | 0 | 109.4 | L195 F199 V298 F300 I460 E462 I463 | L195-V197 HydrophobicContact CD2-CG2 4.17Å; L195-V197 HydrophobicContact CG-CG2 4.26Å; V197-F199 HydrophobicContact CB-CE2 3.96Å; V197-F199 HydrophobicContact CB-CZ 4.13Å; V197-F199 HydrophobicContact CG1-CD2 4.32Å; V197-F199 HydrophobicContact CG1-CE1 3.97Å; V197-F199 HydrophobicContact CG1-CE2 3.54Å; V197-F199 HydrophobicContact CG1-CZ 3.35Å; V197-V298 PolarHBondContact N-O 3.34Å; V197-V298 PolarHBondContact O-N 3.47Å; V197-F300 HydrophobicContact CG2-CD2 4.33Å; V197-F300 HydrophobicContact CG2-CE2 3.97Å; V197-I460 HydrophobicContact CG1-CG2 3.92Å; V197-E462 WeakPolarHBondContact CA-O 3.47Å; V197-I463 HydrophobicContact CG1-CG1 4.23Å; V197-I463 HydrophobicContact CG2-CG1 4.46Å; V197-I463 HydrophobicContact CG2-CG2 4.5Å |
| 198 | R | 85.4 | Confident | 73.3 | Confident | 79 Ų | 79 | 50.3 Ų | 50.3 | 30% | 0.298 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 131 | 176.1 | -68.2 | -179.3 | -174.5 | 161.7 | -6.8 | 111.1 | E297 H461 E462 | R198-E297 HydrophobicContact CG-CB 4.36Å; R198-E297 HydrophobicContact CG-CG 4.07Å; R198-E297 IonicContact CZ-OE1 2.74Å; R198-E297 IonicContact NE-OE1 3.77Å; R198-E297 PolarHBondContact NE-OE1 2.79Å; R198-E297 IonicContact NH2-OE1 3.79Å; R198-E297 PolarHBondContact NH2-OE1 2.81Å; R198-H461 HydrophobicContact CB-CB 4.41Å; R198-H461 PolarHBondContact O-N 3.03Å; R198-E462 HydrophobicContact CB-CB 4.19Å; R198-E462 WeakPolarHBondContact CD-OE2 3.17Å; R198-E462 IonicContact CZ-OE2 3.81Å; R198-E462 PolarHBondContact N-O 3.45Å; R198-E462 IonicContact NE-OE2 3.76Å; R198-E462 IonicContact NH1-OE1 3.15Å; R198-E462 IonicContact NH1-OE2 3.75Å; R198-E462 PolarHBondContact NH1-OE2 3.43Å; R198-E462 PolarHBondContact O-N 2.79Å |
| 199 | F | 86 | Confident | 75.5 | Confident | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.009 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 140.4 | 177.8 | -57.5 | -87.4 | 0 | 0 | 0 | 109.8 | V197 L202 M209 L288 N295 Y296 V298 L458 I460 | V197-F199 HydrophobicContact CB-CE2 3.96Å; V197-F199 HydrophobicContact CB-CZ 4.13Å; V197-F199 HydrophobicContact CG1-CD2 4.32Å; V197-F199 HydrophobicContact CG1-CE1 3.97Å; V197-F199 HydrophobicContact CG1-CE2 3.54Å; V197-F199 HydrophobicContact CG1-CZ 3.35Å; F199-L202 HydrophobicContact CB-CD1 4.39Å; F199-L202 HydrophobicContact CB-CD2 4.26Å; F199-L202 HydrophobicContact CB-CG 4.25Å; F199-M209 HydrophobicContact CD2-CE 4.3Å; F199-M209 HydrophobicContact CE1-CE 4.29Å; F199-M209 HydrophobicContact CE1-SD 3.75Å; F199-M209 HydrophobicContact CE2-CE 3.49Å; F199-M209 VanDerWaalsContact CE2-CE 3.49Å; F199-M209 HydrophobicContact CE2-SD 4.07Å; F199-M209 HydrophobicContact CZ-CE 3.46Å; F199-M209 VanDerWaalsContact CZ-CE 3.46Å; F199-M209 HydrophobicContact CZ-SD 3.44Å; F199-M209 WeakPolarHBondContact CZ-SD 3.47Å; F199-L288 HydrophobicContact CD2-CD1 4.13Å; F199-L288 HydrophobicContact CE2-CD1 4.4Å; F199-N295 WeakPolarHBondContact O-CA 3.46Å; F199-Y296 PolarHBondContact N-O 3.15Å; F199-Y296 PolarHBondContact O-N 3.25Å; F199-V298 HydrophobicContact CD2-CG2 4.19Å; F199-V298 HydrophobicContact CE2-CB 4.19Å; F199-V298 HydrophobicContact CE2-CG2 3.81Å; F199-L458 HydrophobicContact CD1-CD1 3.89Å; F199-L458 HydrophobicContact CD1-CD2 4.47Å; F199-L458 HydrophobicContact CD1-CG 4.34Å; F199-L458 HydrophobicContact CE1-CD1 4.4Å; F199-L458 HydrophobicContact CE1-CD2 4.21Å; F199-I460 HydrophobicContact CD1-CG1 3.94Å; F199-I460 HydrophobicContact CE1-CD1 4.32Å; F199-I460 HydrophobicContact CE1-CG1 3.73Å |
| 200 | K | 81 | Confident | 77.5 | Confident | 85 Ų | 85 | 46.1 Ų | 46.1 | 37% | 0.37 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 149.5 | 170.7 | -74.7 | -177.4 | 171.7 | 169.1 | 0 | 109.3 | L202 D294 N295 E459 H461 | K200-L202 PolarHBondContact O-N 2.83Å; K200-D294 CarbonylContact C-O 3.56Å; K200-N295 WeakPolarHBondContact CA-OD1 3.37Å; K200-E459 PolarHBondContact N-O 3.32Å; K200-E459 VanDerWaalsContact N-O 3.16Å; K200-E459 WeakPolarHBondContact O-CB 3.45Å; K200-H461 HydrophobicContact CD-CB 4.07Å; K200-H461 VanDerWaalsContact CE-CD2 3.42Å; K200-H461 WeakPolarHBondContact CE-CD2 3.35Å; K200-H461 HydrophobicContact CG-CB 4.06Å; K200-H461 PolarHBondContact NZ-CD2 3.24Å; K200-H461 VanDerWaalsContact NZ-CD2 3.33Å; K200-H461 PolarHBondContact NZ-CE1 3.43Å; K200-H461 PolarHBondContact NZ-NE2 3.27Å |
| 201 | N | 81.5 | Confident | 79.6 | Confident | 93 Ų | 93 | 37.6 Ų | 37.6 | 50% | 0.497 | 18% | 0.179 | S | C | . | . | S | Bend | trans | 52.1 | 52.4 | 176.4 | -57.1 | -37.7 | 0 | 0 | 0 | 113.6 | D294 E459 | N201-D294 PolarHBondContact N-O 2.92Å; N201-E459 PolarHBondContact ND2-OE2 3.2Å |
| 202 | L | 78.6 | Confident | 81.4 | Confident | 8 Ų | 8 | 31.1 Ų | 31.1 | 4% | 0.042 | 15% | 0.149 | C | C | . | . | trans | -57.7 | 144.4 | 176.4 | -77.5 | 157 | 0 | 0 | 0 | 111.8 | F199 K200 L207 L288 D294 Y296 L458 | F199-L202 HydrophobicContact CB-CD1 4.39Å; F199-L202 HydrophobicContact CB-CD2 4.26Å; F199-L202 HydrophobicContact CB-CG 4.25Å; K200-L202 PolarHBondContact O-N 2.83Å; L202-L207 HydrophobicContact CD2-CD1 4.11Å; L202-L207 HydrophobicContact CD2-CD2 3.6Å; L202-L207 HydrophobicContact CD2-CG 4.44Å; L202-L288 HydrophobicContact CD1-CB 4.4Å; L202-L288 HydrophobicContact CD1-CD1 4.11Å; L202-L288 HydrophobicContact CD2-CD1 4.26Å; L202-D294 PolarHBondContact N-O 2.89Å; L202-D294 VanDerWaalsContact N-O 3.1Å; L202-Y296 HydrophobicContact CD1-CD2 3.22Å; L202-Y296 HydrophobicContact CD1-CE2 3.76Å; L202-Y296 HydrophobicContact CD1-CG 4.22Å; L202-L458 HydrophobicContact CD2-CD1 3.45Å; L202-L458 VanDerWaalsContact CD2-CD1 3.45Å | ||
| 203 | P | 75.8 | Confident | 82.6 | Confident | 17 Ų | 17 | 29.5 Ų | 29.5 | 11% | 0.11 | 14% | 0.139 | C | C | . | . | trans | -64.8 | 142.9 | 173 | 26 | -30.5 | 0 | 0 | 0 | 110 | A205 L207 L319 F402 P456 | P203-A205 PolarHBondContact O-N 2.89Å; P203-L207 HydrophobicContact CG-CD1 4.05Å; P203-L207 HydrophobicContact CG-CD2 4.13Å; P203-L207 HydrophobicContact CG-CG 4.45Å; P203-L319 HydrophobicContact CB-CD1 4.18Å; P203-L319 HydrophobicContact CG-CD1 3.67Å; P203-F402 HydrophobicContact CG-CE2 3.99Å; P203-P456 HydrophobicContact CB-CB 3.91Å | ||
| 204 | K | 75 | Confident | 83.2 | Confident | 142 Ų | 142 | 29.2 Ų | 29.2 | 62% | 0.617 | 14% | 0.138 | S | C | * | . | S | Bend | trans | -67.4 | 70.7 | 178.7 | -66 | -168.6 | 177.2 | -170.4 | 0 | 112.4 | ||
| 205 | A | 75.7 | Confident | 83 | Confident | 15 Ų | 15 | 30.2 Ų | 30.2 | 12% | 0.124 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -158.3 | 173.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | P203 L207 G290 L319 | P203-A205 PolarHBondContact O-N 2.89Å; A205-L207 WeakPolarHBondContact O-CD1 3.42Å; A205-G290 PolarHBondContact O-N 3.27Å; A205-L319 HydrophobicContact CB-CD1 3.61Å; A205-L319 HydrophobicContact CB-CD2 4.38Å; A205-L319 HydrophobicContact CB-CG 3.83Å |
| 206 | L | 80 | Confident | 82.3 | Confident | 34 Ų | 34 | 30.8 Ų | 30.8 | 18% | 0.178 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 119.9 | 173.3 | -164.7 | 104 | 0 | 0 | 0 | 109.1 | I287 D289 T320 | L206-I287 HydrophobicContact CD1-CG2 3.69Å; L206-I287 HydrophobicContact CD2-CG2 3.66Å; L206-I287 HydrophobicContact CG-CG2 3.59Å; L206-D289 HydrophobicContact CD1-CB 4.27Å; L206-T320 WeakPolarHBondContact CD2-OG1 3.35Å; L206-T320 PolarHBondContact N-O 3.3Å; L206-T320 PolarHBondContact O-N 2.81Å; L206-T320 PolarHBondContact O-OG1 2.84Å; L206-T320 VanDerWaalsContact O-OG1 3.1Å |
| 207 | L | 84.7 | Confident | 81 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 125.2 | 178.7 | -66.2 | 82.8 | 0 | 0 | 0 | 110 | L202 P203 A205 I287 L288 V317 T318 L319 F402 L458 | L202-L207 HydrophobicContact CD2-CD1 4.11Å; L202-L207 HydrophobicContact CD2-CD2 3.6Å; L202-L207 HydrophobicContact CD2-CG 4.44Å; P203-L207 HydrophobicContact CG-CD1 4.05Å; P203-L207 HydrophobicContact CG-CD2 4.13Å; P203-L207 HydrophobicContact CG-CG 4.45Å; A205-L207 WeakPolarHBondContact O-CD1 3.42Å; L207-I287 CarbonylContact O-C 3.55Å; L207-I287 WeakPolarHBondContact O-CA 3.44Å; L207-L288 HydrophobicContact CB-CB 4.37Å; L207-L288 PolarHBondContact N-O 2.88Å; L207-L288 PolarHBondContact O-N 3.08Å; L207-V317 HydrophobicContact CB-CG1 4.39Å; L207-V317 HydrophobicContact CD2-CG1 3.89Å; L207-T318 VanDerWaalsContact CA-O 3.31Å; L207-T318 WeakPolarHBondContact CA-O 3.24Å; L207-L319 HydrophobicContact CD1-CD1 4.43Å; L207-L319 HydrophobicContact CG-CD1 4.23Å; L207-F402 HydrophobicContact CD2-CZ 3.92Å; L207-L458 HydrophobicContact CD2-CD1 3.78Å |
| 208 | T | 85.2 | Confident | 79.2 | Confident | 22 Ų | 22 | 35.6 Ų | 35.6 | 14% | 0.135 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 127.5 | 169.3 | -50.6 | 0 | 0 | 0 | 0 | 109.2 | D285 V286 I287 V317 T318 | T208-D285 HydrophobicContact CG2-CB 3.73Å; T208-V286 CarbonylContact C-O 3.51Å; T208-V286 WeakPolarHBondContact CA-O 3.37Å; T208-I287 HydrophobicContact CG2-CG1 4.28Å; T208-V317 WeakPolarHBondContact O-CA 3.24Å; T208-T318 WeakPolarHBondContact CB-OG1 3.39Å; T208-T318 PolarHBondContact N-O 2.91Å; T208-T318 PolarHBondContact O-N 3.48Å; T208-T318 PolarHBondContact O-OG1 3.25Å |
| 209 | M | 88.2 | Confident | 77.3 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 145.7 | -176.4 | -43.5 | -176 | -61.4 | 0 | 0 | 112.3 | F199 V286 L288 V298 L315 L316 V317 | F199-M209 HydrophobicContact CD2-CE 4.3Å; F199-M209 HydrophobicContact CE1-CE 4.29Å; F199-M209 HydrophobicContact CE1-SD 3.75Å; F199-M209 HydrophobicContact CE2-CE 3.49Å; F199-M209 VanDerWaalsContact CE2-CE 3.49Å; F199-M209 HydrophobicContact CE2-SD 4.07Å; F199-M209 HydrophobicContact CZ-CE 3.46Å; F199-M209 VanDerWaalsContact CZ-CE 3.46Å; F199-M209 HydrophobicContact CZ-SD 3.44Å; F199-M209 WeakPolarHBondContact CZ-SD 3.47Å; M209-V286 HydrophobicContact CB-CG1 4.15Å; M209-V286 HydrophobicContact CE-CG1 3.43Å; M209-V286 VanDerWaalsContact CE-CG1 3.43Å; M209-V286 PolarHBondContact N-O 3.1Å; M209-V286 PolarHBondContact O-N 2.8Å; M209-L288 HydrophobicContact CE-CD1 3.27Å; M209-L288 HydrophobicContact CE-CD2 4.43Å; M209-L288 HydrophobicContact CE-CG 3.77Å; M209-L288 HydrophobicContact SD-CD1 4.03Å; M209-V298 HydrophobicContact CE-CG2 3.97Å; M209-L315 HydrophobicContact CB-CD1 4.43Å; M209-L316 VanDerWaalsContact CA-O 3.28Å; M209-L316 WeakPolarHBondContact CA-O 3.46Å; M209-V317 HydrophobicContact CB-CG2 4.33Å; M209-V317 HydrophobicContact CG-CB 4.28Å; M209-V317 HydrophobicContact CG-CG1 3.89Å; M209-V317 HydrophobicContact CG-CG2 3.87Å; M209-V317 HydrophobicContact SD-CG1 4.33Å; M209-V317 HydrophobicContact SD-CG2 4Å |
| 210 | Y | 89.1 | Confident | 75.4 | Confident | 26 Ų | 26 | 40.5 Ų | 40.5 | 10% | 0.102 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 160.4 | 174.6 | 57.1 | -81.7 | 0 | 0 | 0 | 110.9 | V212 R281 D285 L316 | Y210-V212 HydrophobicContact CD2-CG2 3.55Å; Y210-V212 HydrophobicContact CE2-CG2 3.42Å; Y210-V212 VanDerWaalsContact CE2-CG2 3.42Å; Y210-R281 HydrophobicContact CD2-CG 4.19Å; Y210-D285 WeakPolarHBondContact CD1-OD1 3.35Å; Y210-L316 HydrophobicContact CD2-CD1 4.37Å; Y210-L316 HydrophobicContact CE1-CB 4.28Å; Y210-L316 HydrophobicContact CE2-CB 4.24Å; Y210-L316 HydrophobicContact CE2-CD1 3.57Å; Y210-L316 PolarHBondContact N-O 2.98Å; Y210-L316 PolarHBondContact O-N 3.08Å |
| 211 | L | 90.9 | Very high | 73.4 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 142.7 | 176.4 | -63.6 | 178.5 | 0 | 0 | 0 | 111.4 | L195 L282 T283 F300 L303 I313 L314 L315 I364 | L195-L211 HydrophobicContact CD2-CD1 3.92Å; L195-L211 HydrophobicContact CD2-CD2 4.37Å; L211-L282 HydrophobicContact CB-CB 4.09Å; L211-L282 HydrophobicContact CB-CD1 4.32Å; L211-L282 PolarHBondContact O-N 2.82Å; L211-T283 HydrophobicContact CB-CG2 3.94Å; L211-T283 HydrophobicContact CD1-CG2 4.01Å; L211-T283 HydrophobicContact CG-CG2 4.21Å; L211-T283 PolarHBondContact N-OG1 3.11Å; L211-F300 HydrophobicContact CD1-CB 3.9Å; L211-F300 HydrophobicContact CD1-CD1 3.91Å; L211-F300 HydrophobicContact CD1-CD2 3.82Å; L211-F300 HydrophobicContact CD1-CE1 4.37Å; L211-F300 HydrophobicContact CD1-CE2 4.3Å; L211-F300 HydrophobicContact CD1-CG 3.59Å; L211-F300 HydrophobicContact CD2-CE2 4.41Å; L211-F300 HydrophobicContact CD2-CZ 4.47Å; L211-F300 HydrophobicContact CG-CD1 4.03Å; L211-F300 HydrophobicContact CG-CD2 4.25Å; L211-F300 HydrophobicContact CG-CE1 4.01Å; L211-F300 HydrophobicContact CG-CE2 4.24Å; L211-F300 HydrophobicContact CG-CG 4.14Å; L211-F300 HydrophobicContact CG-CZ 4.11Å; L211-L303 HydrophobicContact CD1-CD1 3.63Å; L211-L303 HydrophobicContact CD1-CD2 4.11Å; L211-I313 HydrophobicContact CD2-CG2 4.23Å; L211-L314 WeakPolarHBondContact CA-O 3.41Å; L211-L315 HydrophobicContact CD2-CB 4.12Å; L211-L315 HydrophobicContact CD2-CD1 3.87Å; L211-I364 HydrophobicContact CD2-CD1 3.71Å |
| 212 | V | 86.5 | Confident | 71 | Confident | 5 Ų | 5 | 43.9 Ų | 43.9 | 3% | 0.03 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 142.1 | 176.4 | 175.9 | 0 | 0 | 0 | 0 | 110.2 | Y210 L279 M280 L314 L316 | Y210-V212 HydrophobicContact CD2-CG2 3.55Å; Y210-V212 HydrophobicContact CE2-CG2 3.42Å; Y210-V212 VanDerWaalsContact CE2-CG2 3.42Å; V212-L279 HydrophobicContact CG1-CB 3.64Å; V212-L279 HydrophobicContact CG1-CD2 3.61Å; V212-L279 HydrophobicContact CG1-CG 4.15Å; V212-M280 CarbonylContact C-O 3.56Å; V212-M280 WeakPolarHBondContact CA-O 3.5Å; V212-M280 WeakPolarHBondContact CG1-O 3.28Å; V212-L314 PolarHBondContact N-O 3.34Å; V212-L314 PolarHBondContact O-N 2.86Å; V212-L316 HydrophobicContact CB-CD1 3.98Å; V212-L316 HydrophobicContact CG2-CD1 3.45Å; V212-L316 VanDerWaalsContact CG2-CD1 3.45Å; V212-L316 HydrophobicContact CG2-CG 4.42Å |
| 213 | S | 84.7 | Confident | 68.6 | Low | 6 Ų | 6 | 49.8 Ų | 49.8 | 4% | 0.042 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 130.1 | 168.5 | 170.3 | 0 | 0 | 0 | 0 | 109.8 | M280 R312 | S213-M280 PolarHBondContact N-O 2.8Å; S213-M280 PolarHBondContact O-N 3.4Å; S213-R312 WeakPolarHBondContact CA-O 3.32Å |
| 214 | Q | 81.3 | Confident | 66.2 | Low | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.009 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 132.5 | 172.8 | -172.4 | 175 | 25.4 | 0 | 0 | 111 | T276 L279 K311 R312 L314 | Q214-T276 WeakPolarHBondContact CG-O 3.49Å; Q214-T276 PolarHBondContact NE2-O 3.42Å; Q214-L279 HydrophobicContact CB-CD2 3.73Å; Q214-L279 HydrophobicContact CG-CD2 3.85Å; Q214-K311 CarbonylContact O-C 3.56Å; Q214-K311 WeakPolarHBondContact O-CA 3.28Å; Q214-R312 HydrophobicContact CB-CG 3.95Å; Q214-R312 PolarHBondContact N-O 3.18Å; Q214-R312 PolarHBondContact O-N 3.49Å; Q214-L314 HydrophobicContact CB-CD1 4.06Å |
| 215 | V | 74.9 | Confident | 63.8 | Low | 47 Ų | 47 | 51.7 Ų | 51.7 | 29% | 0.285 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 134.5 | 177 | -175.1 | 0 | 0 | 0 | 0 | 111.1 | T276 L278 E310 K311 | V215-T276 PolarHBondContact O-N 2.93Å; V215-T276 PolarHBondContact O-OG1 2.93Å; V215-L278 HydrophobicContact CG2-CB 4.5Å; V215-L278 PolarHBondContact N-O 2.92Å; V215-E310 WeakPolarHBondContact CA-O 3.49Å; V215-K311 HydrophobicContact CG2-CG 4.27Å |
| 216 | L | 71.8 | Confident | 61.6 | Low | 13 Ų | 13 | 57.3 Ų | 57.3 | 7% | 0.068 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 132.9 | 177.2 | -60.3 | 173.2 | 0 | 0 | 0 | 109.9 | P275 E310 R312 V423 W426 | L216-P275 HydrophobicContact CD2-CB 4.47Å; L216-E310 PolarHBondContact N-O 2.85Å; L216-R312 HydrophobicContact CD2-CG 4.44Å; L216-V423 HydrophobicContact CD2-CG2 4.46Å; L216-W426 HydrophobicContact CD1-CH2 4.1Å |
| 217 | Q | 57.9 | Low | 59 | Low | 81 Ų | 81 | 59.3 Ų | 59.3 | 38% | 0.379 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 145.3 | 172.8 | -83 | -177.7 | -7 | 0 | 0 | 111.2 | Q274 T276 | Q217-Q274 PolarHBondContact N-O 3.13Å; Q217-Q274 PolarHBondContact O-N 3.27Å; Q217-Q274 VanDerWaalsContact O-N 3.15Å; Q217-T276 HydrophobicContact CB-CG2 3.66Å; Q217-T276 HydrophobicContact CG-CG2 3.44Å; Q217-T276 VanDerWaalsContact CG-CG2 3.44Å |
| 218 | S | 47.7 | Very low | 56.2 | Low | 71 Ų | 71 | 66.5 Ų | 66.5 | 50% | 0.497 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 140.1 | 170.9 | 57.3 | 0 | 0 | 0 | 0 | 111.2 | Q220 | S218-Q220 PolarHBondContact O-N 2.83Å |
| 219 | S | 47.3 | Very low | 53.2 | Low | 38 Ų | 38 | 70.3 Ų | 70.3 | 27% | 0.266 | 42% | 0.419 | S | S | . | . | G | 310 helix | trans | -44.8 | -26.3 | 178.6 | 55.3 | 0 | 0 | 0 | 0 | 116.1 | N221 E272 | S219-N221 VanDerWaalsContact C-N 3.25Å; S219-N221 PolarHBondContact O-N 2.83Å; S219-E272 WeakPolarHBondContact CA-O 3.34Å; S219-E272 WeakPolarHBondContact CB-O 3.36Å; S219-E272 PolarHBondContact N-O 2.59Å; S219-E272 WeakPolarHBondContact OG-CB 3.04Å; S219-E272 PolarHBondContact OG-OE2 3.25Å |
| 220 | Q | 46 | Very low | 50.1 | Low | 145 Ų | 145 | 76.4 Ų | 76.4 | 68% | 0.678 | 45% | 0.45 | S | S | * | . | G | 310 helix | trans | -73.8 | -8.5 | -166.7 | -69.8 | -173.7 | -6.5 | 0 | 0 | 115.1 | S218 | S218-Q220 PolarHBondContact O-N 2.83Š|
| 221 | N | 38.6 | Very low | 47.1 | Very low | 136 Ų | 136 | 78.4 Ų | 78.4 | 73% | 0.727 | 47% | 0.466 | S | S | * | . | G | 310 helix | trans | -120.8 | 23.9 | -178.1 | -81.9 | -18.7 | 0 | 0 | 0 | 115.2 | S219 V223 | S219-N221 VanDerWaalsContact C-N 3.25Å; S219-N221 PolarHBondContact O-N 2.83Å; N221-V223 VanDerWaalsContact C-N 3.31Å; N221-V223 PolarHBondContact O-N 2.9Å |
| 222 | V | 31.2 | Very low | 43.9 | Very low | 113 Ų | 113 | 85 Ų | 85 | 69% | 0.685 | 50% | 0.501 | S | S | * | . | trans | -76.8 | 79.4 | 176.6 | -171.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 223 | V | 28.9 | Very low | 41.1 | Very low | 132 Ų | 132 | 89.3 Ų | 89.3 | 80% | 0.8 | 53% | 0.528 | S | S | * | . | trans | -79.4 | 117.8 | 161.6 | 178.8 | 0 | 0 | 0 | 0 | 107.9 | N221 S225 | N221-V223 VanDerWaalsContact C-N 3.31Å; N221-V223 PolarHBondContact O-N 2.9Å; V223-S225 PolarHBondContact O-N 2.95Å | ||
| 224 | S | 25.1 | Very low | 38.1 | Very low | 114 Ų | 114 | 95.5 Ų | 95.5 | 80% | 0.797 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -60.6 | 94.8 | -178.8 | 46.6 | 0 | 0 | 0 | 0 | 113.1 | ||
| 225 | S | 24.5 | Very low | 35.4 | Very low | 86 Ų | 86 | 102.1 Ų | 102.1 | 60% | 0.601 | 59% | 0.593 | S | S | * | * | trans | -173.8 | 115.5 | 148.1 | -178.7 | 0 | 0 | 0 | 0 | 110.3 | V223 A227 | V223-S225 PolarHBondContact O-N 2.95Å; S225-A227 PolarHBondContact O-N 3.47Å; S225-A227 VanDerWaalsContact O-N 3.13Å | ||
| 226 | P | 29.4 | Very low | 33 | Very low | 132 Ų | 132 | 104.7 Ų | 104.7 | 86% | 0.857 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | 9.5 | -173.1 | -11.8 | 27.5 | 0 | 0 | 0 | 116.1 | ||
| 227 | A | 25.6 | Very low | 30.7 | Very low | 77 Ų | 77 | 112.5 Ų | 112.5 | 64% | 0.636 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -11.6 | -166.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | S225 | S225-A227 PolarHBondContact O-N 3.47Å; S225-A227 VanDerWaalsContact O-N 3.13Å |
| 228 | N | 24.3 | Very low | 29 | Very low | 150 Ų | 150 | 112.3 Ų | 112.3 | 80% | 0.802 | 65% | 0.651 | S | S | * | * | trans | -125.1 | 22.1 | -169.5 | -75.1 | -12.7 | 0 | 0 | 0 | 115.8 | I230 | N228-I230 PolarHBondContact O-N 2.52Å; N228-I230 VanDerWaalsContact O-N 3.17Å | ||
| 229 | L | 23.8 | Very low | 28 | Very low | 102 Ų | 102 | 114.4 Ų | 114.4 | 53% | 0.534 | 66% | 0.661 | S | S | . | * | trans | -87.3 | 74.8 | 174.3 | -71.1 | 167.4 | 0 | 0 | 0 | 111.4 | ||||
| 230 | I | 23.5 | Very low | 26.8 | Very low | 129 Ų | 129 | 119.7 Ų | 119.7 | 66% | 0.662 | 69% | 0.686 | S | S | * | * | trans | -108.8 | 97.2 | 160.5 | -55.5 | 174.4 | 0 | 0 | 0 | 106.4 | N228 Y710 | N228-I230 PolarHBondContact O-N 2.52Å; N228-I230 VanDerWaalsContact O-N 3.17Å; I230-Y710 HydrophobicContact CG2-CE1 4.25Å | ||
| 231 | P | 25.3 | Very low | 25.8 | Very low | 68 Ų | 68 | 116.6 Ų | 116.6 | 44% | 0.442 | 69% | 0.685 | S | S | . | * | trans | -80.6 | 124.3 | -179.1 | 2.7 | 14.2 | 0 | 0 | 0 | 110.2 | V233 L278 | P231-V233 PolarHBondContact O-N 3.06Å; P231-V233 VanDerWaalsContact O-N 3.11Å; P231-L278 HydrophobicContact CG-CD1 3.49Å; P231-L278 VanDerWaalsContact CG-CD1 3.49Å; P231-L278 HydrophobicContact CG-CD2 3.84Å; P231-L278 HydrophobicContact CG-CG 4.33Å | ||
| 232 | N | 24 | Very low | 25.2 | Very low | 137 Ų | 137 | 114.7 Ų | 114.7 | 73% | 0.733 | 68% | 0.683 | S | S | * | * | trans | -52.9 | 109 | 165.5 | -81.7 | -26.8 | 0 | 0 | 0 | 110.2 | D234 | N232-D234 VanDerWaalsContact C-N 3.31Å; N232-D234 PolarHBondContact O-N 3.15Å | ||
| 233 | V | 26.2 | Very low | 25 | Very low | 97 Ų | 97 | 114 Ų | 114 | 59% | 0.588 | 68% | 0.683 | S | S | * | * | trans | -94.7 | 65.1 | 167.3 | -172.1 | 0 | 0 | 0 | 0 | 108.1 | P231 M235 | P231-V233 PolarHBondContact O-N 3.06Å; P231-V233 VanDerWaalsContact O-N 3.11Å; V233-M235 HydrophobicContact CG1-CG 3.82Å | ||
| 234 | D | 22.9 | Very low | 24.8 | Very low | 136 Ų | 136 | 114.8 Ų | 114.8 | 73% | 0.727 | 68% | 0.683 | S | S | * | * | trans | -90.8 | 95.4 | 151.6 | -88.2 | -28.8 | 0 | 0 | 0 | 105.9 | N232 N236 | N232-D234 VanDerWaalsContact C-N 3.31Å; N232-D234 PolarHBondContact O-N 3.15Å; D234-N236 PolarHBondContact O-N 2.72Å | ||
| 235 | M | 25.1 | Very low | 24.8 | Very low | 141 Ų | 141 | 115.8 Ų | 115.8 | 70% | 0.695 | 69% | 0.688 | S | S | * | * | trans | -72.7 | 47.8 | 168.6 | -68.7 | -82.4 | -95.3 | 0 | 0 | 110 | V233 | V233-M235 HydrophobicContact CG1-CG 3.82Š| ||
| 236 | N | 23.7 | Very low | 24.9 | Very low | 101 Ų | 101 | 116.1 Ų | 116.1 | 54% | 0.54 | 70% | 0.696 | S | S | . | * | trans | -103.6 | 88.9 | 160.9 | -81.2 | -18.2 | 0 | 0 | 0 | 105.3 | D234 A238 D804 | D234-N236 PolarHBondContact O-N 2.72Å; N236-A238 PolarHBondContact O-N 3.34Å; N236-D804 PolarHBondContact ND2-OD2 2.92Å | ||
| 237 | F | 23.7 | Very low | 24.7 | Very low | 177 Ų | 177 | 116.9 Ų | 116.9 | 78% | 0.776 | 69% | 0.693 | S | S | * | * | trans | -62.6 | 77.3 | 155.4 | -90.4 | -88.4 | 0 | 0 | 0 | 106.8 | V239 | F237-V239 PolarHBondContact O-N 2.52Š| ||
| 238 | A | 23.1 | Very low | 24.6 | Very low | 77 Ų | 77 | 123.9 Ų | 123.9 | 64% | 0.636 | 71% | 0.709 | S | S | * | * | trans | -62.8 | 93.3 | 150.7 | 0 | 0 | 0 | 0 | 0 | 104.1 | N236 N240 | N236-A238 PolarHBondContact O-N 3.34Å; A238-N240 PolarHBondContact O-N 2.7Å | ||
| 239 | V | 25.2 | Very low | 24.7 | Very low | 115 Ų | 115 | 122.1 Ų | 122.1 | 70% | 0.697 | 70% | 0.704 | S | S | * | * | trans | -55.5 | 88.2 | 163.2 | 174.4 | 0 | 0 | 0 | 0 | 105.2 | F237 A241 | F237-V239 PolarHBondContact O-N 2.52Å; V239-A241 HydrophobicContact CG1-CB 3.56Å; V239-A241 PolarHBondContact O-N 2.9Å | ||
| 240 | N | 23.5 | Very low | 24.7 | Very low | 148 Ų | 148 | 122.2 Ų | 122.2 | 79% | 0.791 | 71% | 0.713 | S | S | * | * | trans | -69.1 | 71.1 | 155.2 | -82.2 | -6.3 | 0 | 0 | 0 | 105.4 | A238 S242 | A238-N240 PolarHBondContact O-N 2.7Å; N240-S242 PolarHBondContact O-N 2.63Å | ||
| 241 | A | 24.9 | Very low | 24.8 | Very low | 80 Ų | 80 | 127.2 Ų | 127.2 | 66% | 0.661 | 73% | 0.726 | S | S | * | * | trans | -70.9 | 69.2 | 156.6 | 0 | 0 | 0 | 0 | 0 | 106.7 | V239 S243 | V239-A241 HydrophobicContact CG1-CB 3.56Å; V239-A241 PolarHBondContact O-N 2.9Å; A241-S243 PolarHBondContact O-N 2.85Å | ||
| 242 | S | 24.4 | Very low | 24.8 | Very low | 97 Ų | 97 | 130.9 Ų | 130.9 | 68% | 0.678 | 74% | 0.741 | S | S | * | * | trans | -67.3 | 115.1 | 137.9 | 51.6 | 0 | 0 | 0 | 0 | 104.8 | N240 | N240-S242 PolarHBondContact O-N 2.63Š| ||
| 243 | S | 27 | Very low | 24.8 | Very low | 98 Ų | 98 | 130.2 Ų | 130.2 | 69% | 0.685 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -22.2 | 135.6 | 168.5 | 48.2 | 0 | 0 | 0 | 0 | 113.7 | A241 | A241-S243 PolarHBondContact O-N 2.85Š|
| 244 | D | 25.4 | Very low | 24.8 | Very low | 149 Ų | 149 | 131 Ų | 131 | 80% | 0.797 | 75% | 0.746 | S | S | * | * | trans | 110.1 | 60 | 171.7 | -53.3 | -14.9 | 0 | 0 | 0 | 115.2 | ||||
| 245 | C | 25.4 | Very low | 24.9 | Very low | 134 Ų | 134 | 133.4 Ų | 133.4 | 91% | 0.905 | 75% | 0.753 | S | S | * | * | trans | -165.6 | 60.4 | 151.5 | -99.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 246 | A | 26.4 | Very low | 24.7 | Very low | 94 Ų | 94 | 133.5 Ų | 133.5 | 78% | 0.777 | 76% | 0.756 | S | S | * | * | trans | -105.3 | 81.1 | 162.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 247 | N | 25.1 | Very low | 24.7 | Very low | 147 Ų | 147 | 133.6 Ų | 133.6 | 79% | 0.786 | 77% | 0.765 | S | S | * | * | trans | -165.6 | 69 | 165.2 | -91.6 | -24.6 | 0 | 0 | 0 | 109.3 | ||||
| 248 | F | 24.2 | Very low | 24.8 | Very low | 224 Ų | 224 | 135.4 Ų | 135.4 | 98% | 0.982 | 77% | 0.773 | S | S | * | * | trans | -96.3 | 68.4 | 162.1 | -105.9 | -84.2 | 0 | 0 | 0 | 108.3 | ||||
| 249 | T | 25.5 | Very low | 24.8 | Very low | 113 Ų | 113 | 140.3 Ų | 140.3 | 69% | 0.693 | 78% | 0.783 | S | S | * | * | trans | -96.8 | 134.7 | 163.1 | 44.4 | 0 | 0 | 0 | 0 | 108.8 | Y251 | T249-Y251 PolarHBondContact O-N 2.73Š| ||
| 250 | S | 24.6 | Very low | 24.7 | Very low | 104 Ų | 104 | 139.3 Ų | 139.3 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | -47.7 | 119.6 | -174.7 | 52.9 | 0 | 0 | 0 | 0 | 114.2 | N252 | S250-N252 PolarHBondContact O-N 3.42Š| ||
| 251 | Y | 25 | Very low | 24.7 | Very low | 235 Ų | 235 | 141.5 Ų | 141.5 | 92% | 0.922 | 79% | 0.786 | S | S | * | * | trans | -67.6 | 97.2 | 162.1 | -86.2 | -89.5 | 0 | 0 | 0 | 109.8 | T249 | T249-Y251 PolarHBondContact O-N 2.73Š| ||
| 252 | N | 25 | Very low | 24.8 | Very low | 144 Ų | 144 | 144.2 Ų | 144.2 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | trans | -99.4 | 106.4 | 155.7 | -83.4 | -16.4 | 0 | 0 | 0 | 107.2 | S250 I254 | S250-N252 PolarHBondContact O-N 3.42Å; N252-I254 PolarHBondContact O-N 2.79Å | ||
| 253 | C | 24.1 | Very low | 24.7 | Very low | 124 Ų | 124 | 145.7 Ų | 145.7 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | trans | -73.8 | 116.8 | 179.3 | -167.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 254 | I | 26.1 | Very low | 24.6 | Very low | 114 Ų | 114 | 145.7 Ų | 145.7 | 59% | 0.585 | 80% | 0.798 | S | S | * | * | trans | -73.7 | 127.1 | 176.8 | -65.8 | 168.5 | 0 | 0 | 0 | 108.6 | N252 | N252-I254 PolarHBondContact O-N 2.79Š| ||
| 255 | Q | 25.3 | Very low | 24.6 | Very low | 186 Ų | 186 | 145.1 Ų | 145.1 | 87% | 0.869 | 80% | 0.8 | S | S | * | * | trans | -109.4 | 98.6 | -175.8 | -172.4 | 170.2 | 1.5 | 0 | 0 | 107.9 | ||||
| 256 | D | 21.7 | Very low | 24.6 | Very low | 142 Ų | 142 | 146.8 Ų | 146.8 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | trans | -130.2 | 137 | 168.2 | -89.8 | -33.4 | 0 | 0 | 0 | 110.7 | ||||
| 257 | S | 24 | Very low | 24.7 | Very low | 104 Ų | 104 | 147.3 Ų | 147.3 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | -61.5 | 128.1 | -166.2 | 51.3 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 258 | F | 25.2 | Very low | 24.8 | Very low | 214 Ų | 214 | 145.8 Ų | 145.8 | 94% | 0.939 | 78% | 0.781 | S | S | * | * | trans | -140.7 | 127.4 | 144.3 | -98.2 | -79.7 | 0 | 0 | 0 | 110.6 | ||||
| 259 | E | 22.2 | Very low | 25.1 | Very low | 181 Ų | 181 | 138.7 Ų | 138.7 | 85% | 0.846 | 76% | 0.759 | S | S | * | * | trans | -62.4 | 138.1 | -179.9 | -72.5 | 174.1 | 134.9 | 0 | 0 | 112.7 | ||||
| 260 | S | 24.2 | Very low | 25.7 | Very low | 93 Ų | 93 | 138 Ų | 138 | 65% | 0.65 | 77% | 0.766 | S | S | * | * | trans | 46.8 | 77 | 145.2 | 69.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 261 | H | 23.7 | Very low | 26.6 | Very low | 195 Ų | 195 | 137.9 Ų | 137.9 | 90% | 0.903 | 76% | 0.76 | S | S | * | * | -132.5 | 105.1 | 125.1 | -91 | -72.3 | 0 | 0 | 0 | 108.6 | V263 | H261-V263 PolarHBondContact O-N 3.01Š| |||
| 262 | V | 25.6 | Very low | 27.5 | Very low | 137 Ų | 137 | 129 Ų | 129 | 83% | 0.83 | 73% | 0.727 | S | S | * | * | trans | -64.4 | 92.5 | 179.8 | 177.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 263 | V | 23.5 | Very low | 28.5 | Very low | 127 Ų | 127 | 126.3 Ų | 126.3 | 77% | 0.77 | 71% | 0.713 | S | S | * | * | trans | -122 | 104.7 | 147.8 | 178.8 | 0 | 0 | 0 | 0 | 105.8 | H261 T265 | H261-V263 PolarHBondContact O-N 3.01Å; V263-T265 PolarHBondContact O-N 2.85Å | ||
| 264 | S | 24.9 | Very low | 29.9 | Very low | 99 Ų | 99 | 126 Ų | 126 | 69% | 0.692 | 70% | 0.699 | S | S | * | * | trans | -59.9 | 93.6 | -172.5 | -169.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 265 | T | 24.5 | Very low | 31 | Very low | 136 Ų | 136 | 122.2 Ų | 122.2 | 83% | 0.834 | 68% | 0.682 | S | S | * | * | trans | -89.4 | 94.9 | 158.4 | 43.9 | 0 | 0 | 0 | 0 | 107.8 | V263 S267 | V263-T265 PolarHBondContact O-N 2.85Å; T265-S267 PolarHBondContact O-N 2.71Å; T265-S267 VanDerWaalsContact O-N 3.11Å | ||
| 266 | K | 25.7 | Very low | 32.4 | Very low | 170 Ų | 170 | 114.1 Ų | 114.1 | 74% | 0.739 | 65% | 0.645 | S | S | * | * | trans | -48.6 | 114.8 | 176 | -70.8 | 173.3 | 175.9 | 176.5 | 0 | 110.3 | L268 | K266-L268 PolarHBondContact O-N 3.07Š| ||
| 267 | S | 27.5 | Very low | 34 | Very low | 105 Ų | 105 | 111.5 Ų | 111.5 | 73% | 0.734 | 64% | 0.638 | S | S | * | * | trans | -52.5 | 120.3 | 148.9 | 57.7 | 0 | 0 | 0 | 0 | 106.8 | T265 S269 | T265-S267 PolarHBondContact O-N 2.71Å; T265-S267 VanDerWaalsContact O-N 3.11Å; S267-S269 VanDerWaalsContact C-N 3.34Å; S267-S269 PolarHBondContact O-N 2.98Å | ||
| 268 | L | 27.4 | Very low | 35.9 | Very low | 114 Ų | 114 | 109.1 Ų | 109.1 | 60% | 0.597 | 62% | 0.617 | S | S | * | * | trans | -55.3 | 98 | 177.6 | -80.5 | 84 | 0 | 0 | 0 | 108.8 | K266 E272 | K266-L268 PolarHBondContact O-N 3.07Å; L268-E272 WeakPolarHBondContact CD2-OE2 3.37Å; L268-E272 WeakPolarHBondContact CG-OE1 3.32Å; L268-E272 WeakPolarHBondContact CG-OE2 3.05Å | ||
| 269 | S | 30.7 | Very low | 38.1 | Very low | 75 Ų | 75 | 101.8 Ų | 101.8 | 52% | 0.524 | 59% | 0.587 | S | S | . | * | trans | -70 | 151.6 | 173.4 | 53 | 0 | 0 | 0 | 0 | 108.9 | S267 T271 | S267-S269 VanDerWaalsContact C-N 3.34Å; S267-S269 PolarHBondContact O-N 2.98Å; S269-T271 PolarHBondContact O-N 3.12Å; S269-T271 PolarHBondContact O-OG1 3.14Å; S269-T271 PolarHBondContact OG-OG1 3.05Å | ||
| 270 | A | 39.3 | Very low | 40.5 | Very low | 100 Ų | 100 | 97.5 Ų | 97.5 | 83% | 0.826 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50 | 2.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||
| 271 | T | 42.8 | Very low | 43.3 | Very low | 100 Ų | 100 | 94.9 Ų | 94.9 | 61% | 0.613 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -0.2 | 178.7 | 36.6 | 0 | 0 | 0 | 0 | 115.5 | S269 | S269-T271 PolarHBondContact O-N 3.12Å; S269-T271 PolarHBondContact O-OG1 3.14Å; S269-T271 PolarHBondContact OG-OG1 3.05Å |
| 272 | E | 44.2 | Very low | 46 | Very low | 49 Ų | 49 | 87 Ų | 87 | 23% | 0.229 | 51% | 0.509 | C | S | . | . | trans | -97 | -13.5 | -164.3 | -75.8 | -165 | -152.1 | 0 | 0 | 117.9 | S219 L268 | S219-E272 WeakPolarHBondContact CA-O 3.34Å; S219-E272 WeakPolarHBondContact CB-O 3.36Å; S219-E272 PolarHBondContact N-O 2.59Å; S219-E272 WeakPolarHBondContact OG-CB 3.04Å; S219-E272 PolarHBondContact OG-OE2 3.25Å; L268-E272 WeakPolarHBondContact CD2-OE2 3.37Å; L268-E272 WeakPolarHBondContact CG-OE1 3.32Å; L268-E272 WeakPolarHBondContact CG-OE2 3.05Å | ||
| 273 | L | 44.9 | Very low | 48.9 | Very low | 88 Ų | 88 | 80.5 Ų | 80.5 | 46% | 0.461 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 113.2 | 172 | -75.2 | 165.3 | 0 | 0 | 0 | 109.4 | ||
| 274 | Q | 53.8 | Low | 51.7 | Low | 116 Ų | 116 | 75.5 Ų | 75.5 | 54% | 0.542 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 131.7 | 177.8 | -68.7 | -71.3 | -28.9 | 0 | 0 | 109.7 | Q217 T276 | Q217-Q274 PolarHBondContact N-O 3.13Å; Q217-Q274 PolarHBondContact O-N 3.27Å; Q217-Q274 VanDerWaalsContact O-N 3.15Å; Q274-T276 PolarHBondContact O-N 2.93Å |
| 275 | P | 50.5 | Low | 54.4 | Low | 36 Ų | 36 | 73 Ų | 73 | 23% | 0.234 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 130.7 | 176.1 | 23.8 | -29.3 | 0 | 0 | 0 | 110.8 | L216 V423 | L216-P275 HydrophobicContact CD2-CB 4.47Å; P275-V423 HydrophobicContact CG-CG2 4.42Å |
| 276 | T | 53.9 | Low | 57.2 | Low | 16 Ų | 16 | 67.3 Ų | 67.3 | 10% | 0.098 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 152 | 170.6 | 64.5 | 0 | 0 | 0 | 0 | 110.6 | Q214 V215 Q217 Q274 L278 | Q214-T276 WeakPolarHBondContact CG-O 3.49Å; Q214-T276 PolarHBondContact NE2-O 3.42Å; V215-T276 PolarHBondContact O-N 2.93Å; V215-T276 PolarHBondContact O-OG1 2.93Å; Q217-T276 HydrophobicContact CB-CG2 3.66Å; Q217-T276 HydrophobicContact CG-CG2 3.44Å; Q217-T276 VanDerWaalsContact CG-CG2 3.44Å; Q274-T276 PolarHBondContact O-N 2.93Å; T276-L278 PolarHBondContact O-N 3.31Å |
| 277 | S | 55.2 | Low | 59.9 | Low | 87 Ų | 87 | 63.7 Ų | 63.7 | 61% | 0.608 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 6.7 | -179.3 | 51.2 | 0 | 0 | 0 | 0 | 114.6 | L279 | S277-L279 PolarHBondContact O-N 2.91Å; S277-L279 VanDerWaalsContact O-N 3.17Å |
| 278 | L | 63.3 | Low | 62.6 | Low | 53 Ų | 53 | 58.7 Ų | 58.7 | 28% | 0.277 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 97.1 | 179.6 | -70.4 | 162.2 | 0 | 0 | 0 | 110.6 | V215 P231 T276 | V215-L278 HydrophobicContact CG2-CB 4.5Å; V215-L278 PolarHBondContact N-O 2.92Å; P231-L278 HydrophobicContact CG-CD1 3.49Å; P231-L278 VanDerWaalsContact CG-CD1 3.49Å; P231-L278 HydrophobicContact CG-CD2 3.84Å; P231-L278 HydrophobicContact CG-CG 4.33Å; T276-L278 PolarHBondContact O-N 3.31Å |
| 279 | L | 71.4 | Confident | 65.2 | Low | 61 Ų | 61 | 55.5 Ų | 55.5 | 32% | 0.319 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 122 | 176.8 | -68.2 | 170.4 | 0 | 0 | 0 | 109.7 | V212 Q214 S277 L314 I418 | V212-L279 HydrophobicContact CG1-CB 3.64Å; V212-L279 HydrophobicContact CG1-CD2 3.61Å; V212-L279 HydrophobicContact CG1-CG 4.15Å; Q214-L279 HydrophobicContact CB-CD2 3.73Å; Q214-L279 HydrophobicContact CG-CD2 3.85Å; S277-L279 PolarHBondContact O-N 2.91Å; S277-L279 VanDerWaalsContact O-N 3.17Å; L279-L314 HydrophobicContact CD2-CD1 4.32Å; L279-I418 HydrophobicContact CD1-CD1 3.37Å; L279-I418 HydrophobicContact CD2-CD1 3.89Å; L279-I418 HydrophobicContact CG-CD1 4.28Å |
| 280 | M | 74.4 | Confident | 67.5 | Low | 90 Ų | 90 | 52 Ų | 52 | 44% | 0.443 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 118.7 | 175.9 | -179.2 | -175.9 | -75.4 | 0 | 0 | 109.7 | V212 S213 L282 | V212-M280 CarbonylContact C-O 3.56Å; V212-M280 WeakPolarHBondContact CA-O 3.5Å; V212-M280 WeakPolarHBondContact CG1-O 3.28Å; S213-M280 PolarHBondContact N-O 2.8Å; S213-M280 PolarHBondContact O-N 3.4Å; M280-L282 PolarHBondContact O-N 2.66Å |
| 281 | R | 81.4 | Confident | 69.3 | Low | 38 Ų | 38 | 52 Ų | 52 | 14% | 0.143 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 127.1 | 177.2 | -164.3 | 176.8 | -153.3 | 142.8 | 4.3 | 110.4 | Y210 T283 D285 Y484 | Y210-R281 HydrophobicContact CD2-CG 4.19Å; R281-T283 WeakPolarHBondContact CG-O 3.41Å; R281-T283 PolarHBondContact NE-O 3.36Å; R281-D285 IonicContact CZ-OD1 2.78Å; R281-D285 IonicContact CZ-OD2 3.78Å; R281-D285 IonicContact NH2-OD1 3.99Å; R281-D285 PolarHBondContact NH2-OD1 3.15Å; R281-D285 IonicContact NH2-OD2 3.69Å; R281-D285 PolarHBondContact NH2-OD2 3.35Å; R281-Y484 HydrophobicContact CB-CD1 4.06Å; R281-Y484 HydrophobicContact CB-CE1 4.38Å; R281-Y484 HydrophobicContact CB-CG 4.43Å; R281-Y484 HydrophobicContact CG-CD1 4.46Å; R281-Y484 HydrophobicContact CG-CG 4.34Å |
| 282 | L | 81.8 | Confident | 70.9 | Confident | 31 Ų | 31 | 51.7 Ų | 51.7 | 16% | 0.162 | 28% | 0.277 | C | S | . | . | trans | -98.7 | -31.2 | -178.8 | -63.5 | 176.4 | 0 | 0 | 0 | 112.5 | L211 M280 L303 I313 R483 Y484 | L211-L282 HydrophobicContact CB-CB 4.09Å; L211-L282 HydrophobicContact CB-CD1 4.32Å; L211-L282 PolarHBondContact O-N 2.82Å; M280-L282 PolarHBondContact O-N 2.66Å; L282-L303 HydrophobicContact CB-CD2 4.39Å; L282-I313 HydrophobicContact CD1-CD1 4.35Å; L282-I313 HydrophobicContact CD1-CG1 4.32Å; L282-I313 HydrophobicContact CD1-CG2 4.38Å; L282-R483 WeakPolarHBondContact O-CG 3.06Å; L282-Y484 PolarHBondContact O-N 2.99Å | ||
| 283 | T | 85.9 | Confident | 72.6 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | B | Isolated β-bridge | trans | -134.5 | 162.8 | -172 | 67.1 | 0 | 0 | 0 | 0 | 112.5 | L211 R281 F300 L303 | L211-T283 HydrophobicContact CB-CG2 3.94Å; L211-T283 HydrophobicContact CD1-CG2 4.01Å; L211-T283 HydrophobicContact CG-CG2 4.21Å; L211-T283 PolarHBondContact N-OG1 3.11Å; R281-T283 WeakPolarHBondContact CG-O 3.41Å; R281-T283 PolarHBondContact NE-O 3.36Å; T283-F300 HydrophobicContact CG2-CB 4.3Å; T283-F300 HydrophobicContact CG2-CD1 3.65Å; T283-F300 HydrophobicContact CG2-CE1 4.42Å; T283-F300 HydrophobicContact CG2-CG 4.34Å; T283-L303 HydrophobicContact CG2-CD2 3.63Å |
| 284 | E | 81.7 | Confident | 74.1 | Confident | 21 Ų | 21 | 53 Ų | 53 | 10% | 0.098 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 166.2 | 166 | -64.2 | 177 | 166.2 | 0 | 0 | 112 | V481 R482 R504 Y508 I572 | E284-V481 HydrophobicContact CB-CG1 4.08Å; E284-V481 WeakPolarHBondContact O-CG1 3.37Å; E284-R482 PolarHBondContact N-O 3.48Å; E284-R482 IonicContact OE1-NE 3.81Å; E284-R482 IonicContact OE1-NH2 3.81Å; E284-R482 IonicContact OE2-NE 2.94Å; E284-R504 IonicContact OE1-CZ 3.74Å; E284-R504 IonicContact OE1-NH2 3.31Å; E284-R504 PolarHBondContact OE1-NH2 2.58Å; E284-Y508 HydrophobicContact CG-CE1 4.09Å; E284-Y508 PolarHBondContact OE1-OH 3.33Å; E284-I572 HydrophobicContact CG-CD1 4.49Å |
| 285 | D | 81.6 | Confident | 75.4 | Confident | 48 Ų | 48 | 51.3 Ų | 51.3 | 26% | 0.257 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 127.3 | 170.5 | -79.5 | -28.2 | 0 | 0 | 0 | 110.7 | T208 Y210 R281 | T208-D285 HydrophobicContact CG2-CB 3.73Å; Y210-D285 WeakPolarHBondContact CD1-OD1 3.35Å; R281-D285 IonicContact CZ-OD1 2.78Å; R281-D285 IonicContact CZ-OD2 3.78Å; R281-D285 IonicContact NH2-OD1 3.99Å; R281-D285 PolarHBondContact NH2-OD1 3.15Å; R281-D285 IonicContact NH2-OD2 3.69Å; R281-D285 PolarHBondContact NH2-OD2 3.35Å |
| 286 | V | 84.4 | Confident | 77.1 | Confident | 15 Ų | 15 | 51.1 Ų | 51.1 | 9% | 0.091 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 130.6 | 163.8 | 103.2 | 0 | 0 | 0 | 0 | 108.9 | T208 M209 L288 V298 L479 V481 | T208-V286 CarbonylContact C-O 3.51Å; T208-V286 WeakPolarHBondContact CA-O 3.37Å; M209-V286 HydrophobicContact CB-CG1 4.15Å; M209-V286 HydrophobicContact CE-CG1 3.43Å; M209-V286 VanDerWaalsContact CE-CG1 3.43Å; M209-V286 PolarHBondContact N-O 3.1Å; M209-V286 PolarHBondContact O-N 2.8Å; V286-L288 HydrophobicContact CG1-CD2 4.06Å; V286-L288 HydrophobicContact CG1-CG 4.24Å; V286-V298 HydrophobicContact CG1-CG1 4.17Å; V286-V298 HydrophobicContact CG1-CG2 4.24Å; V286-V298 HydrophobicContact CG2-CG1 4.43Å; V286-L479 HydrophobicContact CG2-CB 4.27Å; V286-L479 HydrophobicContact CG2-CD1 4.37Å; V286-V481 HydrophobicContact CB-CG2 3.69Å; V286-V481 HydrophobicContact CG2-CG2 3.42Å; V286-V481 VanDerWaalsContact CG2-CG2 3.42Å |
| 287 | I | 81.5 | Confident | 78.7 | Confident | 94 Ų | 94 | 51.6 Ų | 51.6 | 48% | 0.482 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 117 | 179.9 | -57.6 | 175.9 | 0 | 0 | 0 | 108.3 | L206 L207 T208 | L206-I287 HydrophobicContact CD1-CG2 3.69Å; L206-I287 HydrophobicContact CD2-CG2 3.66Å; L206-I287 HydrophobicContact CG-CG2 3.59Å; L207-I287 CarbonylContact O-C 3.55Å; L207-I287 WeakPolarHBondContact O-CA 3.44Å; T208-I287 HydrophobicContact CG2-CG1 4.28Å |
| 288 | L | 85.4 | Confident | 80.3 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 128.4 | 174.9 | -50.8 | -173.3 | 0 | 0 | 0 | 109.6 | F199 L202 L207 M209 V286 Y296 V298 L479 | F199-L288 HydrophobicContact CD2-CD1 4.13Å; F199-L288 HydrophobicContact CE2-CD1 4.4Å; L202-L288 HydrophobicContact CD1-CB 4.4Å; L202-L288 HydrophobicContact CD1-CD1 4.11Å; L202-L288 HydrophobicContact CD2-CD1 4.26Å; L207-L288 HydrophobicContact CB-CB 4.37Å; L207-L288 PolarHBondContact N-O 2.88Å; L207-L288 PolarHBondContact O-N 3.08Å; M209-L288 HydrophobicContact CE-CD1 3.27Å; M209-L288 HydrophobicContact CE-CD2 4.43Å; M209-L288 HydrophobicContact CE-CG 3.77Å; M209-L288 HydrophobicContact SD-CD1 4.03Å; V286-L288 HydrophobicContact CG1-CD2 4.06Å; V286-L288 HydrophobicContact CG1-CG 4.24Å; L288-Y296 HydrophobicContact CB-CD2 4.3Å; L288-Y296 HydrophobicContact CB-CE2 4.14Å; L288-Y296 HydrophobicContact CD1-CD2 4.35Å; L288-Y296 HydrophobicContact CD1-CG 4.2Å; L288-Y296 HydrophobicContact CD2-CD1 3.69Å; L288-Y296 HydrophobicContact CD2-CD2 4.36Å; L288-Y296 HydrophobicContact CD2-CE1 4.05Å; L288-Y296 HydrophobicContact CD2-CG 3.82Å; L288-Y296 HydrophobicContact CG-CG 4.44Å; L288-V298 HydrophobicContact CD1-CG2 4.4Å; L288-V298 HydrophobicContact CD2-CG2 4.16Å; L288-L479 HydrophobicContact CD2-CD1 3.3Å |
| 289 | D | 81.8 | Confident | 81.4 | Confident | 47 Ų | 47 | 45.2 Ų | 45.2 | 25% | 0.251 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 96.8 | 175.9 | -172.4 | -2.2 | 0 | 0 | 0 | 110.2 | L206 N291 T292 K293 Y296 | L206-D289 HydrophobicContact CD1-CB 4.27Å; D289-N291 PolarHBondContact O-N 3.2Å; D289-N291 VanDerWaalsContact OD1-CB 3.27Å; D289-N291 WeakPolarHBondContact OD1-CB 3.39Å; D289-N291 PolarHBondContact OD1-N 3.21Å; D289-N291 PolarHBondContact OD1-ND2 2.98Å; D289-T292 HydrophobicContact CB-CG2 4.16Å; D289-T292 PolarHBondContact O-N 3.2Å; D289-T292 PolarHBondContact O-OG1 3.13Å; D289-T292 WeakPolarHBondContact OD2-CG2 3.38Å; D289-K293 PolarHBondContact O-N 3.23Å; D289-Y296 PolarHBondContact N-OH 3.44Å; D289-Y296 PolarHBondContact O-OH 3.47Å |
| 290 | G | 78.7 | Confident | 82.1 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -3.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | A205 | A205-G290 PolarHBondContact O-N 3.27Š|
| 291 | N | 76.1 | Confident | 82.4 | Confident | 101 Ų | 101 | 39 Ų | 39 | 54% | 0.54 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -20.6 | 168.1 | -55.6 | -56.9 | 0 | 0 | 0 | 112.7 | D289 | D289-N291 PolarHBondContact O-N 3.2Å; D289-N291 VanDerWaalsContact OD1-CB 3.27Å; D289-N291 WeakPolarHBondContact OD1-CB 3.39Å; D289-N291 PolarHBondContact OD1-N 3.21Å; D289-N291 PolarHBondContact OD1-ND2 2.98Å |
| 292 | T | 78.1 | Confident | 81.8 | Confident | 93 Ų | 93 | 38.8 Ų | 38.8 | 57% | 0.571 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101 | -39 | -174.6 | 63.4 | 0 | 0 | 0 | 0 | 113.1 | D289 Y296 | D289-T292 HydrophobicContact CB-CG2 4.16Å; D289-T292 PolarHBondContact O-N 3.2Å; D289-T292 PolarHBondContact O-OG1 3.13Å; D289-T292 WeakPolarHBondContact OD2-CG2 3.38Å; T292-Y296 PolarHBondContact OG1-OH 3.43Å |
| 293 | K | 78.5 | Confident | 81.5 | Confident | 81 Ų | 81 | 37.6 Ų | 37.6 | 35% | 0.352 | 20% | 0.198 | S | C | . | . | trans | -146.7 | 129.6 | -175.5 | -168.1 | -175.2 | -171.6 | -178.5 | 0 | 109.4 | D289 N295 Y296 | D289-K293 PolarHBondContact O-N 3.23Å; K293-N295 WeakPolarHBondContact CD-O 3.17Å; K293-N295 WeakPolarHBondContact CE-O 3.25Å; K293-N295 VanDerWaalsContact CG-O 3.31Å; K293-N295 WeakPolarHBondContact CG-O 3.39Å; K293-Y296 HydrophobicContact CB-CD2 4.27Å; K293-Y296 HydrophobicContact CB-CE2 3.61Å; K293-Y296 HydrophobicContact CD-CD1 4.23Å; K293-Y296 HydrophobicContact CD-CD2 4.36Å; K293-Y296 HydrophobicContact CD-CE1 4.06Å; K293-Y296 HydrophobicContact CD-CE2 4.28Å; K293-Y296 HydrophobicContact CD-CG 4.42Å; K293-Y296 HydrophobicContact CG-CD2 4.42Å; K293-Y296 HydrophobicContact CG-CE2 4.22Å; K293-Y296 WeakPolarHBondContact O-CE2 3.14Å | ||
| 294 | D | 76 | Confident | 80.6 | Confident | 83 Ų | 83 | 40.9 Ų | 40.9 | 44% | 0.444 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -83.1 | -21 | -178.2 | -67.3 | -27.4 | 0 | 0 | 0 | 112.9 | K200 N201 L202 | K200-D294 CarbonylContact C-O 3.56Å; N201-D294 PolarHBondContact N-O 2.92Å; L202-D294 PolarHBondContact N-O 2.89Å; L202-D294 VanDerWaalsContact N-O 3.1Å |
| 295 | N | 82.2 | Confident | 79.6 | Confident | 82 Ų | 82 | 42 Ų | 42 | 44% | 0.439 | 22% | 0.224 | S | C | . | . | trans | -123 | 123.6 | -175.1 | -61.3 | -26.3 | 0 | 0 | 0 | 110.8 | F199 K200 K293 | F199-N295 WeakPolarHBondContact O-CA 3.46Å; K200-N295 WeakPolarHBondContact CA-OD1 3.37Å; K293-N295 WeakPolarHBondContact CD-O 3.17Å; K293-N295 WeakPolarHBondContact CE-O 3.25Å; K293-N295 VanDerWaalsContact CG-O 3.31Å; K293-N295 WeakPolarHBondContact CG-O 3.39Å | ||
| 296 | Y | 86.3 | Confident | 78.8 | Confident | 32 Ų | 32 | 41.2 Ų | 41.2 | 13% | 0.125 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 147.2 | 174.6 | -77.2 | -95.8 | 0 | 0 | 0 | 111 | F199 L202 L288 D289 T292 K293 L479 | F199-Y296 PolarHBondContact N-O 3.15Å; F199-Y296 PolarHBondContact O-N 3.25Å; L202-Y296 HydrophobicContact CD1-CD2 3.22Å; L202-Y296 HydrophobicContact CD1-CE2 3.76Å; L202-Y296 HydrophobicContact CD1-CG 4.22Å; L288-Y296 HydrophobicContact CB-CD2 4.3Å; L288-Y296 HydrophobicContact CB-CE2 4.14Å; L288-Y296 HydrophobicContact CD1-CD2 4.35Å; L288-Y296 HydrophobicContact CD1-CG 4.2Å; L288-Y296 HydrophobicContact CD2-CD1 3.69Å; L288-Y296 HydrophobicContact CD2-CD2 4.36Å; L288-Y296 HydrophobicContact CD2-CE1 4.05Å; L288-Y296 HydrophobicContact CD2-CG 3.82Å; L288-Y296 HydrophobicContact CG-CG 4.44Å; D289-Y296 PolarHBondContact N-OH 3.44Å; D289-Y296 PolarHBondContact O-OH 3.47Å; T292-Y296 PolarHBondContact OG1-OH 3.43Å; K293-Y296 HydrophobicContact CB-CD2 4.27Å; K293-Y296 HydrophobicContact CB-CE2 3.61Å; K293-Y296 HydrophobicContact CD-CD1 4.23Å; K293-Y296 HydrophobicContact CD-CD2 4.36Å; K293-Y296 HydrophobicContact CD-CE1 4.06Å; K293-Y296 HydrophobicContact CD-CE2 4.28Å; K293-Y296 HydrophobicContact CD-CG 4.42Å; K293-Y296 HydrophobicContact CG-CD2 4.42Å; K293-Y296 HydrophobicContact CG-CE2 4.22Å; K293-Y296 WeakPolarHBondContact O-CE2 3.14Å; Y296-L479 HydrophobicContact CD1-CD1 3.46Å; Y296-L479 VanDerWaalsContact CD1-CD1 3.46Å; Y296-L479 HydrophobicContact CD1-CG 4.35Å; Y296-L479 HydrophobicContact CE1-CD1 3.82Å; Y296-L479 HydrophobicContact CG-CD1 4.49Å |
| 297 | E | 87.9 | Confident | 77.8 | Confident | 25 Ų | 25 | 46.2 Ų | 46.2 | 12% | 0.117 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 123.6 | 169.5 | -178.7 | 165.9 | -134.1 | 0 | 0 | 107.3 | R196 R198 N475 A478 L479 | R196-E297 VanDerWaalsContact CD-OE1 3.32Å; R196-E297 WeakPolarHBondContact CD-OE1 3.46Å; R196-E297 HydrophobicContact CG-CG 4.26Å; R198-E297 HydrophobicContact CG-CB 4.36Å; R198-E297 HydrophobicContact CG-CG 4.07Å; R198-E297 IonicContact CZ-OE1 2.74Å; R198-E297 IonicContact NE-OE1 3.77Å; R198-E297 PolarHBondContact NE-OE1 2.79Å; R198-E297 IonicContact NH2-OE1 3.79Å; R198-E297 PolarHBondContact NH2-OE1 2.81Å; E297-N475 PolarHBondContact OE2-ND2 3.46Å; E297-A478 HydrophobicContact CB-CB 4.24Å; E297-A478 HydrophobicContact CG-CB 3.98Å; E297-A478 WeakPolarHBondContact O-CA 3.43Å; E297-L479 PolarHBondContact O-N 3.36Å |
| 298 | V | 87.9 | Confident | 76.8 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 130.2 | -178.4 | -177.9 | 0 | 0 | 0 | 0 | 108.8 | R196 V197 F199 M209 V286 L288 F300 L479 V481 | R196-V298 CarbonylContact C-O 3.54Å; R196-V298 WeakPolarHBondContact CA-O 3.36Å; V197-V298 PolarHBondContact N-O 3.34Å; V197-V298 PolarHBondContact O-N 3.47Å; F199-V298 HydrophobicContact CD2-CG2 4.19Å; F199-V298 HydrophobicContact CE2-CB 4.19Å; F199-V298 HydrophobicContact CE2-CG2 3.81Å; M209-V298 HydrophobicContact CE-CG2 3.97Å; V286-V298 HydrophobicContact CG1-CG1 4.17Å; V286-V298 HydrophobicContact CG1-CG2 4.24Å; V286-V298 HydrophobicContact CG2-CG1 4.43Å; L288-V298 HydrophobicContact CD1-CG2 4.4Å; L288-V298 HydrophobicContact CD2-CG2 4.16Å; V298-F300 HydrophobicContact CG1-CD2 4.42Å; V298-F300 HydrophobicContact CG1-CE1 4.27Å; V298-F300 HydrophobicContact CG1-CE2 3.95Å; V298-F300 HydrophobicContact CG1-CZ 3.88Å; V298-L479 CarbonylContact C-O 3.53Å; V298-L479 WeakPolarHBondContact CA-O 3.42Å; V298-L479 HydrophobicContact CG2-CB 4.41Å; V298-V481 HydrophobicContact CG1-CG2 3.56Å |
| 299 | V | 86.2 | Confident | 75.6 | Confident | 6 Ų | 6 | 52.8 Ų | 52.8 | 4% | 0.036 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 109.2 | 178.6 | -175.9 | 0 | 0 | 0 | 0 | 109.2 | N194 L195 R196 T301 L466 A478 L479 Y480 V481 | N194-V299 HydrophobicContact CB-CG1 4.49Å; L195-V299 CarbonylContact O-C 3.52Å; L195-V299 WeakPolarHBondContact O-CA 3.41Å; R196-V299 HydrophobicContact CB-CG2 4.26Å; R196-V299 HydrophobicContact CG-CG2 4.21Å; V299-T301 HydrophobicContact CG1-CG2 4.11Å; V299-L466 HydrophobicContact CG1-CD1 4.14Å; V299-A478 HydrophobicContact CG2-CB 4.35Å; V299-L479 PolarHBondContact N-O 3.5Å; V299-Y480 HydrophobicContact CB-CD1 3.78Å; V299-Y480 HydrophobicContact CB-CE1 3.82Å; V299-Y480 HydrophobicContact CG1-CD1 4Å; V299-Y480 HydrophobicContact CG1-CE1 3.91Å; V299-Y480 HydrophobicContact CG2-CD1 4.48Å; V299-Y480 HydrophobicContact CG2-CE1 4.1Å; V299-Y480 CarbonylContact O-C 3.53Å; V299-Y480 WeakPolarHBondContact O-CA 3.03Å; V299-V481 PolarHBondContact O-N 3.13Å |
| 300 | F | 87.2 | Confident | 74.7 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 118.7 | 172.1 | -57.5 | -82.9 | 0 | 0 | 0 | 109.2 | N194 L195 V197 L211 T283 V298 L303 L315 V481 | N194-F300 CarbonylContact C-O 3.41Å; N194-F300 VanDerWaalsContact CA-O 3.27Å; N194-F300 WeakPolarHBondContact CA-O 3.16Å; L195-F300 HydrophobicContact CB-CB 4.26Å; L195-F300 HydrophobicContact CB-CD2 4.38Å; L195-F300 HydrophobicContact CD2-CD2 4.06Å; L195-F300 HydrophobicContact CG-CD2 4.49Å; L195-F300 PolarHBondContact N-O 3Å; L195-F300 PolarHBondContact O-N 3.06Å; V197-F300 HydrophobicContact CG2-CD2 4.33Å; V197-F300 HydrophobicContact CG2-CE2 3.97Å; L211-F300 HydrophobicContact CD1-CB 3.9Å; L211-F300 HydrophobicContact CD1-CD1 3.91Å; L211-F300 HydrophobicContact CD1-CD2 3.82Å; L211-F300 HydrophobicContact CD1-CE1 4.37Å; L211-F300 HydrophobicContact CD1-CE2 4.3Å; L211-F300 HydrophobicContact CD1-CG 3.59Å; L211-F300 HydrophobicContact CD2-CE2 4.41Å; L211-F300 HydrophobicContact CD2-CZ 4.47Å; L211-F300 HydrophobicContact CG-CD1 4.03Å; L211-F300 HydrophobicContact CG-CD2 4.25Å; L211-F300 HydrophobicContact CG-CE1 4.01Å; L211-F300 HydrophobicContact CG-CE2 4.24Å; L211-F300 HydrophobicContact CG-CG 4.14Å; L211-F300 HydrophobicContact CG-CZ 4.11Å; T283-F300 HydrophobicContact CG2-CB 4.3Å; T283-F300 HydrophobicContact CG2-CD1 3.65Å; T283-F300 HydrophobicContact CG2-CE1 4.42Å; T283-F300 HydrophobicContact CG2-CG 4.34Å; V298-F300 HydrophobicContact CG1-CD2 4.42Å; V298-F300 HydrophobicContact CG1-CE1 4.27Å; V298-F300 HydrophobicContact CG1-CE2 3.95Å; V298-F300 HydrophobicContact CG1-CZ 3.88Å; F300-L303 HydrophobicContact CB-CD1 4.09Å; F300-L303 HydrophobicContact CB-CG 4.43Å; F300-L315 HydrophobicContact CZ-CD1 4.26Å; F300-V481 HydrophobicContact CD1-CB 3.61Å; F300-V481 HydrophobicContact CD1-CG1 3.78Å; F300-V481 HydrophobicContact CD1-CG2 4.02Å; F300-V481 HydrophobicContact CE1-CB 4.02Å; F300-V481 HydrophobicContact CE1-CG1 3.99Å; F300-V481 HydrophobicContact CE1-CG2 4.01Å; F300-V481 HydrophobicContact CG-CB 4.43Å |
| 301 | T | 79.3 | Confident | 74.4 | Confident | 22 Ų | 22 | 57.2 Ų | 57.2 | 14% | 0.135 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 147.6 | -172.7 | 55.3 | 0 | 0 | 0 | 0 | 112.9 | N194 V299 Y480 V481 | N194-T301 WeakPolarHBondContact OD1-CA 3.45Å; V299-T301 HydrophobicContact CG1-CG2 4.11Å; T301-Y480 HydrophobicContact CG2-CD1 3.87Å; T301-V481 PolarHBondContact N-O 3.07Å; T301-V481 PolarHBondContact OG1-O 3.13Å; T301-V481 VanDerWaalsContact OG1-O 3.14Å |
| 302 | N | 69.8 | Low | 74.6 | Confident | 33 Ų | 33 | 52.4 Ų | 52.4 | 18% | 0.176 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 59.5 | 43.9 | 171.1 | -58.8 | -15.5 | 0 | 0 | 0 | 114.2 | N194 R483 V494 | N194-N302 PolarHBondContact OD1-N 3.21Å; N302-R483 WeakPolarHBondContact O-CD 2.92Å; N302-V494 WeakPolarHBondContact ND2-CG2 3.4Å |
| 303 | L | 74.2 | Confident | 75 | Confident | 5 Ų | 5 | 48.1 Ų | 48.1 | 3% | 0.026 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 132.5 | 174.7 | -61.3 | 175.3 | 0 | 0 | 0 | 110.1 | P192 F193 L195 L211 L282 T283 F300 | P192-L303 CarbonylContact C-O 3.57Å; P192-L303 WeakPolarHBondContact CA-O 3.38Å; F193-L303 HydrophobicContact CD1-CB 4.32Å; F193-L303 HydrophobicContact CD2-CB 4.31Å; F193-L303 HydrophobicContact CD2-CD1 4.31Å; F193-L303 HydrophobicContact CE1-CB 3.97Å; F193-L303 HydrophobicContact CE2-CB 3.97Å; F193-L303 HydrophobicContact CE2-CD1 3.66Å; F193-L303 HydrophobicContact CE2-CG 4.44Å; F193-L303 HydrophobicContact CG-CB 4.49Å; F193-L303 HydrophobicContact CZ-CB 3.79Å; F193-L303 HydrophobicContact CZ-CD1 4.05Å; F193-L303 PolarHBondContact N-O 3.22Å; F193-L303 WeakPolarHBondContact O-CB 3.32Å; F193-L303 PolarHBondContact O-N 2.81Å; L195-L303 HydrophobicContact CB-CD1 3.84Å; L211-L303 HydrophobicContact CD1-CD1 3.63Å; L211-L303 HydrophobicContact CD1-CD2 4.11Å; L282-L303 HydrophobicContact CB-CD2 4.39Å; T283-L303 HydrophobicContact CG2-CD2 3.63Å; F300-L303 HydrophobicContact CB-CD1 4.09Å; F300-L303 HydrophobicContact CB-CG 4.43Å |
| 304 | D | 67.7 | Low | 75.4 | Confident | 70 Ų | 70 | 44.2 Ų | 44.2 | 37% | 0.374 | 21% | 0.212 | S | C | . | . | P | Polyproline II helix | trans | -64.8 | 145.5 | 175.8 | -89.7 | -7.3 | 0 | 0 | 0 | 111.4 | F193 F306 R483 | F193-D304 WeakPolarHBondContact CE1-O 3.47Å; D304-F306 PolarHBondContact O-N 3.28Å; D304-R483 VanDerWaalsContact CG-CZ 3.44Å; D304-R483 VanDerWaalsContact CG-NH2 3.3Å; D304-R483 IonicContact OD1-CZ 2.93Å; D304-R483 IonicContact OD1-NH1 3.94Å; D304-R483 PolarHBondContact OD1-NH1 2.92Å; D304-R483 IonicContact OD1-NH2 2.81Å; D304-R483 IonicContact OD2-CZ 2.71Å; D304-R483 IonicContact OD2-NH1 3.92Å; D304-R483 PolarHBondContact OD2-NH1 3.26Å; D304-R483 VanDerWaalsContact OD2-NH1 3.13Å; D304-R483 IonicContact OD2-NH2 3.51Å; D304-R483 PolarHBondContact OD2-NH2 3.35Å |
| 305 | P | 61.6 | Low | 76.1 | Confident | 43 Ų | 43 | 40.3 Ų | 40.3 | 28% | 0.279 | 19% | 0.191 | S | C | . | . | P | Polyproline II helix | trans | -58.1 | 134.3 | 166 | 22 | -29.1 | 0 | 0 | 0 | 110.8 | A189 | A189-P305 WeakPolarHBondContact O-CB 3.25Š|
| 306 | F | 63.4 | Low | 76.4 | Confident | 33 Ų | 33 | 36.5 Ų | 36.5 | 15% | 0.145 | 17% | 0.171 | C | C | . | . | trans | -119.4 | 142.9 | -179.8 | 72.4 | -78.5 | 0 | 0 | 0 | 111 | F193 D304 Y308 K311 I313 T365 I368 F372 | F193-F306 HydrophobicContact CE1-CD1 4.34Å; F193-F306 HydrophobicContact CZ-CD1 4.31Å; F193-F306 HydrophobicContact CZ-CE1 4.24Å; D304-F306 PolarHBondContact O-N 3.28Å; F306-Y308 PolarHBondContact O-N 3.46Å; F306-K311 WeakPolarHBondContact CD2-O 3.41Å; F306-I313 HydrophobicContact CD1-CD1 3.33Å; F306-I313 HydrophobicContact CD1-CG1 3.94Å; F306-I313 HydrophobicContact CD2-CD1 4.47Å; F306-I313 HydrophobicContact CD2-CG1 4.18Å; F306-I313 HydrophobicContact CE1-CD1 3.2Å; F306-I313 HydrophobicContact CE1-CG1 3.8Å; F306-I313 HydrophobicContact CE2-CD1 4.38Å; F306-I313 HydrophobicContact CE2-CG1 4.06Å; F306-I313 HydrophobicContact CG-CD1 3.99Å; F306-I313 HydrophobicContact CG-CG1 4.12Å; F306-I313 HydrophobicContact CZ-CD1 3.78Å; F306-I313 HydrophobicContact CZ-CG1 3.87Å; F306-T365 HydrophobicContact CE2-CG2 3.91Å; F306-T365 HydrophobicContact CZ-CG2 4.07Å; F306-I368 HydrophobicContact CE1-CG2 4.47Å; F306-F372 AromaticContact CE1-CE2 3.89Å; F306-F372 HydrophobicContact CE1-CE2 3.89Å; F306-F372 HydrophobicContact CZ-CE2 4.46Å | ||
| 307 | K | 63.2 | Low | 76.5 | Confident | 120 Ų | 120 | 35.1 Ų | 35.1 | 52% | 0.522 | 17% | 0.165 | S | C | . | . | trans | -80.7 | 104 | 173.6 | -69.3 | 179.7 | 178.7 | 178.5 | 0 | 109.4 | K309 E310 K311 | K307-K309 PolarHBondContact O-N 3.14Å; K307-K309 VanDerWaalsContact O-N 3.17Å; K307-E310 HydrophobicContact CB-CB 4.34Å; K307-E310 HydrophobicContact CB-CG 4.39Å; K307-E310 WeakPolarHBondContact CD-OE1 3.31Å; K307-E310 IonicContact NZ-OE1 2.95Å; K307-E310 PolarHBondContact O-N 2.88Å; K307-K311 PolarHBondContact O-N 3.46Å | ||
| 308 | Y | 61.8 | Low | 76.4 | Confident | 79 Ų | 79 | 34.3 Ų | 34.3 | 31% | 0.31 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -35.8 | -174.9 | 67.3 | -89.8 | 0 | 0 | 0 | 113 | F306 E310 K311 L369 W426 | F306-Y308 PolarHBondContact O-N 3.46Å; Y308-E310 PolarHBondContact O-N 3.27Å; Y308-E310 VanDerWaalsContact O-N 3.13Å; Y308-K311 WeakPolarHBondContact CA-O 3.39Å; Y308-K311 PolarHBondContact O-N 2.98Å; Y308-K311 VanDerWaalsContact O-O 3.1Å; Y308-L369 HydrophobicContact CD1-CD2 3.91Å; Y308-L369 HydrophobicContact CD2-CD2 4.04Å; Y308-L369 HydrophobicContact CE1-CD2 4.37Å; Y308-L369 HydrophobicContact CG-CD2 3.74Å; Y308-W426 VanDerWaalsContact C-CZ3 3.49Å; Y308-W426 HydrophobicContact CD2-CD2 4.41Å; Y308-W426 AromaticContact CD2-CE3 3.52Å; Y308-W426 HydrophobicContact CD2-CE3 3.52Å; Y308-W426 HydrophobicContact CD2-CH2 4.32Å; Y308-W426 AromaticContact CD2-CZ3 3.49Å; Y308-W426 HydrophobicContact CD2-CZ3 3.49Å; Y308-W426 VanDerWaalsContact CD2-CZ3 3.49Å; Y308-W426 HydrophobicContact CE2-CE3 4.07Å; Y308-W426 HydrophobicContact CE2-CZ3 4.4Å; Y308-W426 HydrophobicContact CG-CZ3 4.3Å; Y308-W426 WeakPolarHBondContact O-CH2 3.47Å; Y308-W426 WeakPolarHBondContact O-CZ3 3.43Å |
| 309 | K | 60.4 | Low | 76.2 | Confident | 152 Ų | 152 | 34.7 Ų | 34.7 | 66% | 0.661 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -25 | 176.1 | -67.3 | -172.8 | 179.2 | -179.7 | 0 | 114.3 | K307 | K307-K309 PolarHBondContact O-N 3.14Å; K307-K309 VanDerWaalsContact O-N 3.17Å |
| 310 | E | 63 | Low | 75.9 | Confident | 94 Ų | 94 | 34.9 Ų | 34.9 | 44% | 0.439 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | -27.3 | -176.5 | -63.7 | 170.8 | -162.7 | 0 | 0 | 112.2 | V215 L216 K307 Y308 | V215-E310 WeakPolarHBondContact CA-O 3.49Å; L216-E310 PolarHBondContact N-O 2.85Å; K307-E310 HydrophobicContact CB-CB 4.34Å; K307-E310 HydrophobicContact CB-CG 4.39Å; K307-E310 WeakPolarHBondContact CD-OE1 3.31Å; K307-E310 IonicContact NZ-OE1 2.95Å; K307-E310 PolarHBondContact O-N 2.88Å; Y308-E310 PolarHBondContact O-N 3.27Å; Y308-E310 VanDerWaalsContact O-N 3.13Å |
| 311 | K | 71.9 | Confident | 75.5 | Confident | 47 Ų | 47 | 38.3 Ų | 38.3 | 20% | 0.204 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 139.6 | -171.1 | -64.3 | 177.3 | -178.3 | -177.9 | 0 | 112 | Q214 V215 F306 K307 Y308 | Q214-K311 CarbonylContact O-C 3.56Å; Q214-K311 WeakPolarHBondContact O-CA 3.28Å; V215-K311 HydrophobicContact CG2-CG 4.27Å; F306-K311 WeakPolarHBondContact CD2-O 3.41Å; K307-K311 PolarHBondContact O-N 3.46Å; Y308-K311 WeakPolarHBondContact CA-O 3.39Å; Y308-K311 PolarHBondContact O-N 2.98Å; Y308-K311 VanDerWaalsContact O-O 3.1Å |
| 312 | R | 81.2 | Confident | 75.2 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 145.6 | 168.6 | 66.7 | 174 | -177.6 | 170.9 | 0.6 | 111.8 | S213 Q214 L216 L314 D363 T365 I418 T421 | S213-R312 WeakPolarHBondContact CA-O 3.32Å; Q214-R312 HydrophobicContact CB-CG 3.95Å; Q214-R312 PolarHBondContact N-O 3.18Å; Q214-R312 PolarHBondContact O-N 3.49Å; L216-R312 HydrophobicContact CD2-CG 4.44Å; R312-L314 HydrophobicContact CG-CD2 4.15Å; R312-L314 HydrophobicContact CG-CG 4.32Å; R312-D363 WeakPolarHBondContact CD-OD2 3.31Å; R312-D363 IonicContact NH1-OD2 3.97Å; R312-T365 WeakPolarHBondContact CB-OG1 3.24Å; R312-I418 PolarHBondContact NH2-O 2.92Å; R312-T421 PolarHBondContact NH1-O 2.88Å |
| 313 | I | 85.5 | Confident | 75.4 | Confident | 3 Ų | 3 | 39.5 Ų | 39.5 | 2% | 0.015 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 123.3 | 175.7 | -61.6 | -172.8 | 0 | 0 | 0 | 109.6 | F193 L211 L282 F306 I364 T365 I368 | F193-I313 HydrophobicContact CZ-CD1 4.16Å; L211-I313 HydrophobicContact CD2-CG2 4.23Å; L282-I313 HydrophobicContact CD1-CD1 4.35Å; L282-I313 HydrophobicContact CD1-CG1 4.32Å; L282-I313 HydrophobicContact CD1-CG2 4.38Å; F306-I313 HydrophobicContact CD1-CD1 3.33Å; F306-I313 HydrophobicContact CD1-CG1 3.94Å; F306-I313 HydrophobicContact CD2-CD1 4.47Å; F306-I313 HydrophobicContact CD2-CG1 4.18Å; F306-I313 HydrophobicContact CE1-CD1 3.2Å; F306-I313 HydrophobicContact CE1-CG1 3.8Å; F306-I313 HydrophobicContact CE2-CD1 4.38Å; F306-I313 HydrophobicContact CE2-CG1 4.06Å; F306-I313 HydrophobicContact CG-CD1 3.99Å; F306-I313 HydrophobicContact CG-CG1 4.12Å; F306-I313 HydrophobicContact CZ-CD1 3.78Å; F306-I313 HydrophobicContact CZ-CG1 3.87Å; I313-I364 HydrophobicContact CB-CG1 4.31Å; I313-I364 HydrophobicContact CG2-CD1 3.83Å; I313-I364 HydrophobicContact CG2-CG1 3.84Å; I313-I364 WeakPolarHBondContact O-CG1 3.45Å; I313-I364 PolarHBondContact O-N 3.34Å; I313-T365 PolarHBondContact N-OG1 2.86Å; I313-T365 PolarHBondContact O-OG1 3.25Å; I313-I368 HydrophobicContact CB-CD1 4.47Å; I313-I368 HydrophobicContact CD1-CD1 4.27Å; I313-I368 HydrophobicContact CG2-CD1 4.49Å |
| 314 | L | 87.9 | Confident | 75.2 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 132 | -179.8 | -56.9 | 177.9 | 0 | 0 | 0 | 109.9 | L211 V212 Q214 L279 R312 L362 D363 I418 | L211-L314 WeakPolarHBondContact CA-O 3.41Å; V212-L314 PolarHBondContact N-O 3.34Å; V212-L314 PolarHBondContact O-N 2.86Å; Q214-L314 HydrophobicContact CB-CD1 4.06Å; L279-L314 HydrophobicContact CD2-CD1 4.32Å; R312-L314 HydrophobicContact CG-CD2 4.15Å; R312-L314 HydrophobicContact CG-CG 4.32Å; L314-L362 WeakPolarHBondContact CA-O 3.37Å; L314-D363 HydrophobicContact CD2-CB 3.89Å; L314-I418 HydrophobicContact CD1-CD1 4.45Å; L314-I418 HydrophobicContact CD1-CG1 4.1Å; L314-I418 HydrophobicContact CD1-CG2 3.87Å |
| 315 | L | 90.1 | Very high | 75.3 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 114.5 | 165.8 | 176.2 | 65.5 | 0 | 0 | 0 | 108.4 | M209 L211 F300 V317 C361 L362 I364 I460 | M209-L315 HydrophobicContact CB-CD1 4.43Å; L211-L315 HydrophobicContact CD2-CB 4.12Å; L211-L315 HydrophobicContact CD2-CD1 3.87Å; F300-L315 HydrophobicContact CZ-CD1 4.26Å; L315-V317 HydrophobicContact CD2-CG2 4.45Å; L315-V317 HydrophobicContact CG-CG2 4.1Å; L315-C361 WeakPolarHBondContact O-CA 3.31Å; L315-L362 HydrophobicContact CB-CB 4.41Å; L315-L362 PolarHBondContact N-O 3.47Å; L315-L362 PolarHBondContact O-N 3.48Å; L315-I364 HydrophobicContact CB-CD1 4.4Å; L315-I364 HydrophobicContact CB-CG2 4.05Å; L315-I460 HydrophobicContact CD2-CD1 4.05Å |
| 316 | L | 88.6 | Confident | 75.5 | Confident | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 132.8 | 177.9 | -64.2 | 171.7 | 0 | 0 | 0 | 109.5 | M209 Y210 V212 C361 L414 I418 | M209-L316 VanDerWaalsContact CA-O 3.28Å; M209-L316 WeakPolarHBondContact CA-O 3.46Å; Y210-L316 HydrophobicContact CD2-CD1 4.37Å; Y210-L316 HydrophobicContact CE1-CB 4.28Å; Y210-L316 HydrophobicContact CE2-CB 4.24Å; Y210-L316 HydrophobicContact CE2-CD1 3.57Å; Y210-L316 PolarHBondContact N-O 2.98Å; Y210-L316 PolarHBondContact O-N 3.08Å; V212-L316 HydrophobicContact CB-CD1 3.98Å; V212-L316 HydrophobicContact CG2-CD1 3.45Å; V212-L316 VanDerWaalsContact CG2-CD1 3.45Å; V212-L316 HydrophobicContact CG2-CG 4.42Å; L316-C361 HydrophobicContact CD2-CB 3.78Å; L316-L414 HydrophobicContact CB-CD1 4.22Å; L316-L414 HydrophobicContact CD1-CD1 4.19Å; L316-L414 HydrophobicContact CD1-CD2 3.74Å; L316-L414 HydrophobicContact CD1-CG 4.32Å; L316-L414 HydrophobicContact CD2-CD1 4.2Å; L316-L414 HydrophobicContact CD2-CD2 3.97Å; L316-L414 HydrophobicContact CD2-CG 3.94Å; L316-L414 HydrophobicContact CG-CD1 4.44Å; L316-L414 HydrophobicContact CG-CD2 4.44Å; L316-I418 HydrophobicContact CD1-CD1 4.41Å; L316-I418 HydrophobicContact CD2-CD1 3.92Å; L316-I418 HydrophobicContact CD2-CG1 3.82Å |
| 317 | V | 87.8 | Confident | 75.1 | Confident | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.018 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 129.3 | -178.5 | -176.4 | 0 | 0 | 0 | 0 | 109.2 | L207 T208 M209 L315 V359 A360 F402 L458 | L207-V317 HydrophobicContact CB-CG1 4.39Å; L207-V317 HydrophobicContact CD2-CG1 3.89Å; T208-V317 WeakPolarHBondContact O-CA 3.24Å; M209-V317 HydrophobicContact CB-CG2 4.33Å; M209-V317 HydrophobicContact CG-CB 4.28Å; M209-V317 HydrophobicContact CG-CG1 3.89Å; M209-V317 HydrophobicContact CG-CG2 3.87Å; M209-V317 HydrophobicContact SD-CG1 4.33Å; M209-V317 HydrophobicContact SD-CG2 4Å; L315-V317 HydrophobicContact CD2-CG2 4.45Å; L315-V317 HydrophobicContact CG-CG2 4.1Å; V317-V359 CarbonylContact O-C 3.13Å; V317-V359 WeakPolarHBondContact O-CA 3.4Å; V317-A360 HydrophobicContact CB-CB 4.24Å; V317-A360 PolarHBondContact N-O 3.26Å; V317-A360 PolarHBondContact O-N 2.92Å; V317-F402 HydrophobicContact CB-CE1 4.35Å; V317-F402 HydrophobicContact CG1-CE1 3.77Å; V317-F402 HydrophobicContact CG1-CZ 3.75Å; V317-L458 HydrophobicContact CB-CD2 4.43Å; V317-L458 HydrophobicContact CG1-CD2 4.11Å; V317-L458 HydrophobicContact CG2-CD2 4.02Å |
| 318 | T | 85 | Confident | 74.3 | Confident | 7 Ų | 7 | 49.3 Ų | 49.3 | 4% | 0.043 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 129.4 | 179.7 | 66 | 0 | 0 | 0 | 0 | 109.6 | L207 T208 V359 L410 L414 | L207-T318 VanDerWaalsContact CA-O 3.31Å; L207-T318 WeakPolarHBondContact CA-O 3.24Å; T208-T318 WeakPolarHBondContact CB-OG1 3.39Å; T208-T318 PolarHBondContact N-O 2.91Å; T208-T318 PolarHBondContact O-N 3.48Å; T208-T318 PolarHBondContact O-OG1 3.25Å; T318-V359 HydrophobicContact CG2-CG1 4.26Å; T318-L410 HydrophobicContact CG2-CD1 3.77Å; T318-L410 HydrophobicContact CG2-CD2 4.24Å; T318-L410 HydrophobicContact CG2-CG 4.33Å; T318-L414 HydrophobicContact CG2-CD1 4Å |
| 319 | L | 84.7 | Confident | 73.3 | Confident | 8 Ų | 8 | 57.1 Ų | 57.1 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 113.2 | 178.8 | -167.1 | 95.2 | 0 | 0 | 0 | 108.2 | P203 A205 L207 V357 G358 F402 P456 | P203-L319 HydrophobicContact CB-CD1 4.18Å; P203-L319 HydrophobicContact CG-CD1 3.67Å; A205-L319 HydrophobicContact CB-CD1 3.61Å; A205-L319 HydrophobicContact CB-CD2 4.38Å; A205-L319 HydrophobicContact CB-CG 3.83Å; L207-L319 HydrophobicContact CD1-CD1 4.43Å; L207-L319 HydrophobicContact CG-CD1 4.23Å; L319-V357 HydrophobicContact CD2-CB 4.07Å; L319-V357 HydrophobicContact CD2-CG1 4.03Å; L319-V357 PolarHBondContact O-N 3.22Å; L319-G358 WeakPolarHBondContact CB-O 3.18Å; L319-G358 PolarHBondContact N-O 3.21Å; L319-G358 PolarHBondContact O-N 3.49Å; L319-F402 HydrophobicContact CB-CD1 3.89Å; L319-F402 HydrophobicContact CB-CE1 3.77Å; L319-F402 HydrophobicContact CB-CZ 4.32Å; L319-F402 HydrophobicContact CD1-CE1 4.25Å; L319-F402 HydrophobicContact CD1-CE2 4.09Å; L319-F402 HydrophobicContact CD1-CZ 3.95Å; L319-P456 HydrophobicContact CD2-CG 3.85Å |
| 320 | T | 80.3 | Confident | 72.4 | Confident | 11 Ų | 11 | 56.3 Ų | 56.3 | 7% | 0.067 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 133.7 | 179.7 | 58.9 | 0 | 0 | 0 | 0 | 111.1 | L206 R355 | L206-T320 WeakPolarHBondContact CD2-OG1 3.35Å; L206-T320 PolarHBondContact N-O 3.3Å; L206-T320 PolarHBondContact O-N 2.81Å; L206-T320 PolarHBondContact O-OG1 2.84Å; L206-T320 VanDerWaalsContact O-OG1 3.1Å; T320-R355 CarbonylContact C-O 3.56Å; T320-R355 WeakPolarHBondContact CA-O 3.01Å |
| 321 | R | 77.6 | Confident | 71.3 | Confident | 71 Ų | 71 | 61.6 Ų | 61.6 | 27% | 0.268 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 137.4 | 174.5 | 176 | 178 | 172.6 | -117.4 | -7.7 | 109.3 | L327 R355 V357 | R321-L327 VanDerWaalsContact NH2-CD1 3.3Å; R321-R355 PolarHBondContact N-O 3.27Å; R321-R355 PolarHBondContact O-N 2.93Å; R321-V357 HydrophobicContact CB-CG2 3.39Å; R321-V357 HydrophobicContact CG-CG2 4.45Å |
| 322 | I | 73.1 | Confident | 69.4 | Low | 71 Ų | 71 | 65.4 Ų | 65.4 | 36% | 0.364 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 117.7 | 175.7 | -50 | 177.9 | 0 | 0 | 0 | 108.2 | M352 L353 K354 | I322-M352 HydrophobicContact CB-CE 4.37Å; I322-M352 HydrophobicContact CG2-CB 3.75Å; I322-M352 HydrophobicContact CG2-CE 3.65Å; I322-M352 HydrophobicContact CG2-CG 4.39Å; I322-L353 WeakPolarHBondContact CA-O 3.42Å; I322-K354 HydrophobicContact CG1-CG 4.46Å |
| 323 | G | 74.9 | Confident | 67.2 | Low | 9 Ų | 9 | 69 Ų | 69 | 9% | 0.093 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 165.7 | -168.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | S351 L353 | G323-S351 CarbonylContact C-O 3.39Å; G323-L353 PolarHBondContact N-O 3.25Å; G323-L353 WeakPolarHBondContact O-CB 3.05Å; G323-L353 PolarHBondContact O-N 3.38Å; G323-L353 VanDerWaalsContact O-N 3.08Å |
| 324 | P | 69.5 | Low | 64.6 | Low | 64 Ų | 64 | 72.7 Ų | 72.7 | 42% | 0.416 | 40% | 0.399 | S | S | . | . | trans | -69.8 | 157.7 | -176.9 | 27.2 | -34.4 | 0 | 0 | 0 | 113.6 | H326 | P324-H326 VanDerWaalsContact C-N 3.32Å; P324-H326 PolarHBondContact O-N 3.27Å | ||
| 325 | M | 69.5 | Low | 61.8 | Low | 7 Ų | 7 | 82.4 Ų | 82.4 | 3% | 0.034 | 44% | 0.441 | C | S | . | . | S | Bend | trans | -65 | -18.4 | -174.8 | -170.8 | 99 | 75.3 | 0 | 0 | 115.5 | L353 R355 N526 Y560 R644 S645 T646 | M325-L353 HydrophobicContact CB-CD1 4.13Å; M325-L353 HydrophobicContact CE-CD1 3.88Å; M325-L353 HydrophobicContact SD-CD1 4.11Å; M325-R355 VanDerWaalsContact C-NH1 3.31Å; M325-R355 PolarHBondContact O-NH1 3.06Å; M325-R355 PolarHBondContact O-NH2 3.3Å; M325-R355 VanDerWaalsContact O-NH2 3.13Å; M325-R355 PolarHBondContact SD-NH2 3.33Å; M325-N526 HydrophobicContact CE-CB 3.75Å; M325-N526 WeakPolarHBondContact CE-ND2 3.41Å; M325-N526 HydrophobicContact SD-CB 3.98Å; M325-Y560 HydrophobicContact CG-CD2 4.22Å; M325-Y560 HydrophobicContact SD-CD2 4.31Å; M325-R644 HydrophobicContact CE-CB 3.76Å; M325-R644 WeakPolarHBondContact CE-O 3.43Å; M325-S645 VanDerWaalsContact CE-O 3.24Å; M325-S645 WeakPolarHBondContact CE-O 3.38Å; M325-T646 HydrophobicContact CB-CG2 4.47Å; M325-T646 HydrophobicContact CE-CG2 4.2Å; M325-T646 HydrophobicContact CG-CG2 3.52Å; M325-T646 HydrophobicContact SD-CG2 4.37Å |
| 326 | H | 65.4 | Low | 59 | Low | 98 Ų | 98 | 87.1 Ų | 87.1 | 45% | 0.454 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -129.7 | 138.4 | 174.1 | -77.3 | -66.7 | 0 | 0 | 0 | 110.7 | P324 Y560 T646 | P324-H326 VanDerWaalsContact C-N 3.32Å; P324-H326 PolarHBondContact O-N 3.27Å; H326-Y560 AromaticContact CE1-CE2 3.6Å; H326-Y560 AromaticContact CE1-CZ 3.59Å; H326-Y560 PolarHBondContact CE1-OH 3.14Å; H326-Y560 AromaticContact NE2-CE2 3.71Å; H326-Y560 AromaticContact NE2-CZ 3.98Å; H326-T646 WeakPolarHBondContact NE2-CG2 3.28Å |
| 327 | L | 55.6 | Low | 56.3 | Low | 107 Ų | 107 | 92 Ų | 92 | 56% | 0.56 | 50% | 0.5 | S | S | * | . | trans | -82.7 | 116.8 | 166.5 | -141.9 | 79.2 | 0 | 0 | 0 | 107.2 | R321 R329 | R321-L327 VanDerWaalsContact NH2-CD1 3.3Å; L327-R329 PolarHBondContact O-N 3.46Å | ||
| 328 | K | 47.4 | Very low | 53.7 | Low | 201 Ų | 201 | 96 Ų | 96 | 87% | 0.874 | 53% | 0.527 | S | S | * | . | trans | -64.2 | 109.6 | 172.4 | -83.3 | -176.2 | 176.8 | 178.3 | 0 | 108.4 | T330 | K328-T330 PolarHBondContact O-N 2.88Š| ||
| 329 | R | 40.4 | Very low | 51.3 | Low | 244 Ų | 244 | 101.1 Ų | 101.1 | 92% | 0.921 | 55% | 0.554 | S | S | * | * | trans | -71.7 | 105.7 | 172.5 | -132.1 | 179.3 | -170.6 | -174.5 | 2.3 | 108.2 | L327 | L327-R329 PolarHBondContact O-N 3.46Š| ||
| 330 | T | 41.1 | Very low | 48.8 | Very low | 135 Ų | 135 | 104.3 Ų | 104.3 | 83% | 0.828 | 58% | 0.577 | S | S | * | * | trans | -72.4 | 124.5 | 172.4 | 41.4 | 0 | 0 | 0 | 0 | 109.4 | K328 | K328-T330 PolarHBondContact O-N 2.88Š| ||
| 331 | K | 39.2 | Very low | 46.5 | Very low | 204 Ų | 204 | 110 Ų | 110 | 89% | 0.887 | 61% | 0.612 | S | S | * | * | trans | -72.9 | 127.4 | 178.9 | -73.3 | -178.9 | 175.6 | -179.5 | 0 | 110.7 | ||||
| 332 | S | 33.6 | Very low | 44.3 | Very low | 128 Ų | 128 | 114 Ų | 114 | 90% | 0.895 | 64% | 0.638 | S | S | * | * | S | Bend | trans | 64.5 | 120.3 | 157.4 | -164.7 | 0 | 0 | 0 | 0 | 119.4 | ||
| 333 | G | 34.6 | Very low | 42.3 | Very low | 75 Ų | 75 | 118.7 Ų | 118.7 | 77% | 0.773 | 66% | 0.659 | S | S | * | * | trans | 113.6 | 100.4 | 162.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 334 | G | 31.2 | Very low | 40.1 | Very low | 80 Ų | 80 | 125.7 Ų | 125.7 | 83% | 0.825 | 69% | 0.694 | S | S | * | * | trans | -61.1 | 132.3 | -166.2 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 335 | K | 29.3 | Very low | 38.3 | Very low | 204 Ų | 204 | 132.2 Ų | 132.2 | 89% | 0.887 | 72% | 0.715 | S | S | * | * | trans | -167.6 | 129.4 | 143.2 | -101.4 | 166 | -174.3 | -179 | 0 | 107.6 | ||||
| 336 | S | 31.3 | Very low | 36.4 | Very low | 101 Ų | 101 | 138 Ų | 138 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | trans | -17.3 | 130.7 | 178.4 | 54.4 | 0 | 0 | 0 | 0 | 118.1 | S338 | S336-S338 PolarHBondContact O-N 3.15Š| ||
| 337 | I | 31.7 | Very low | 34.8 | Very low | 105 Ų | 105 | 141.9 Ų | 141.9 | 54% | 0.538 | 78% | 0.775 | S | S | . | * | trans | -66.2 | 100.2 | 168.8 | -61.9 | -179.2 | 0 | 0 | 0 | 109.4 | E454 | I337-E454 WeakPolarHBondContact CB-OE1 3.38Å; I337-E454 WeakPolarHBondContact CD1-OE2 3.46Å; I337-E454 WeakPolarHBondContact CG1-OE1 3.38Å; I337-E454 WeakPolarHBondContact CG1-OE2 3.2Å; I337-E454 PolarHBondContact N-OE1 3.45Å | ||
| 338 | S | 31.5 | Very low | 33.8 | Very low | 85 Ų | 85 | 144.8 Ų | 144.8 | 59% | 0.594 | 79% | 0.786 | S | S | * | * | trans | -84 | 119.8 | 163.1 | 71.1 | 0 | 0 | 0 | 0 | 109.3 | S336 S340 | S336-S338 PolarHBondContact O-N 3.15Å; S338-S340 PolarHBondContact O-N 3.44Å; S338-S340 PolarHBondContact OG-OG 3.02Å | ||
| 339 | L | 36.3 | Very low | 33.4 | Very low | 116 Ų | 116 | 140 Ų | 140 | 61% | 0.607 | 78% | 0.775 | S | S | * | * | trans | -73.7 | 37.9 | 170.9 | -74.1 | 160.4 | 0 | 0 | 0 | 111.9 | ||||
| 340 | S | 30.7 | Very low | 33.6 | Very low | 74 Ų | 74 | 133.4 Ų | 133.4 | 52% | 0.517 | 76% | 0.758 | S | S | . | * | trans | -85 | 114.3 | 179.9 | 51.5 | 0 | 0 | 0 | 0 | 110.5 | S338 N342 | S338-S340 PolarHBondContact O-N 3.44Å; S338-S340 PolarHBondContact OG-OG 3.02Å; S340-N342 PolarHBondContact O-N 3.33Å | ||
| 341 | V | 33.7 | Very low | 34.3 | Very low | 132 Ų | 132 | 130.5 Ų | 130.5 | 80% | 0.8 | 74% | 0.743 | S | S | * | * | trans | -64.2 | 108.7 | 165.6 | 177.4 | 0 | 0 | 0 | 0 | 107.3 | E343 | V341-E343 PolarHBondContact O-N 3.08Š| ||
| 342 | N | 29.8 | Very low | 35.5 | Very low | 155 Ų | 155 | 126.5 Ų | 126.5 | 83% | 0.829 | 73% | 0.729 | S | S | * | * | trans | -69.7 | 98.2 | 170.6 | -110.3 | -0.5 | 0 | 0 | 0 | 108 | S340 N344 | S340-N342 PolarHBondContact O-N 3.33Å; N342-N344 PolarHBondContact O-N 3.05Å; N342-N344 VanDerWaalsContact O-N 3.09Å | ||
| 343 | E | 32 | Very low | 37.6 | Very low | 169 Ų | 169 | 121.1 Ų | 121.1 | 79% | 0.79 | 69% | 0.69 | S | S | * | * | trans | -64.4 | 102.1 | 163.3 | -68.5 | -174.3 | 159.8 | 0 | 0 | 107.7 | V341 | V341-E343 PolarHBondContact O-N 3.08Š| ||
| 344 | N | 28.9 | Very low | 39.8 | Very low | 156 Ų | 156 | 120.9 Ų | 120.9 | 83% | 0.834 | 67% | 0.668 | S | S | * | * | trans | 165.4 | 79.8 | 148.8 | -81.8 | -27.6 | 0 | 0 | 0 | 109.8 | N342 | N342-N344 PolarHBondContact O-N 3.05Å; N342-N344 VanDerWaalsContact O-N 3.09Å | ||
| 345 | K | 31 | Very low | 42.1 | Very low | 200 Ų | 200 | 119 Ų | 119 | 87% | 0.87 | 64% | 0.636 | S | S | * | * | trans | 178.6 | 112.4 | 140.1 | -98.4 | 166 | -174 | -176.5 | 0 | 108 | Q347 | K345-Q347 PolarHBondContact O-N 3.45Š| ||
| 346 | S | 30.8 | Very low | 44.4 | Very low | 128 Ų | 128 | 110 Ų | 110 | 90% | 0.895 | 60% | 0.599 | S | S | * | * | trans | -54.9 | 94.7 | 174.9 | 50.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 347 | Q | 30.7 | Very low | 46.6 | Very low | 180 Ų | 180 | 107.6 Ų | 107.6 | 84% | 0.841 | 58% | 0.579 | S | S | * | * | trans | -129 | 130.7 | 158.9 | -76.2 | -173.9 | -14.1 | 0 | 0 | 107.9 | K345 | K345-Q347 PolarHBondContact O-N 3.45Š| ||
| 348 | Q | 34.9 | Very low | 49 | Very low | 169 Ų | 169 | 102.6 Ų | 102.6 | 79% | 0.79 | 55% | 0.553 | S | S | * | * | trans | -49.1 | 141.2 | -168.2 | -73.2 | 172.2 | -34 | 0 | 0 | 114.5 | N350 | Q348-N350 PolarHBondContact O-N 3.29Š| ||
| 349 | P | 39.4 | Very low | 51.6 | Low | 100 Ų | 100 | 98.6 Ų | 98.6 | 65% | 0.649 | 53% | 0.525 | S | S | * | . | trans | -86.6 | 61.3 | -171.2 | 37.6 | -36.2 | 0 | 0 | 0 | 112.3 | M352 | P349-M352 HydrophobicContact CB-SD 4.41Š| ||
| 350 | N | 45.1 | Very low | 54.1 | Low | 106 Ų | 106 | 93.2 Ų | 93.2 | 57% | 0.567 | 50% | 0.498 | S | S | * | . | trans | -103.9 | 21 | -172.4 | -82.1 | -5.7 | 0 | 0 | 0 | 116.1 | Q348 | Q348-N350 PolarHBondContact O-N 3.29Š| ||
| 351 | S | 54 | Low | 56.7 | Low | 73 Ų | 73 | 90.5 Ų | 90.5 | 51% | 0.51 | 48% | 0.479 | S | S | . | . | trans | -138.1 | 36.5 | 173.8 | 87.8 | 0 | 0 | 0 | 0 | 114.9 | G323 L353 | G323-S351 CarbonylContact C-O 3.39Å; S351-L353 PolarHBondContact O-N 2.97Å | ||
| 352 | M | 65.9 | Low | 59.2 | Low | 121 Ų | 121 | 85.6 Ų | 85.6 | 60% | 0.596 | 45% | 0.448 | S | S | * | . | trans | -84.4 | 86.5 | 179.5 | -68.5 | -168.3 | 88 | 0 | 0 | 111.3 | I322 P349 | I322-M352 HydrophobicContact CB-CE 4.37Å; I322-M352 HydrophobicContact CG2-CB 3.75Å; I322-M352 HydrophobicContact CG2-CE 3.65Å; I322-M352 HydrophobicContact CG2-CG 4.39Å; P349-M352 HydrophobicContact CB-SD 4.41Å | ||
| 353 | L | 76.5 | Confident | 61.9 | Low | 15 Ų | 15 | 78.6 Ų | 78.6 | 8% | 0.079 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 137.9 | 175.1 | -59.5 | 173.4 | 0 | 0 | 0 | 110.6 | I322 G323 M325 S351 V558 R644 | I322-L353 WeakPolarHBondContact CA-O 3.42Å; G323-L353 PolarHBondContact N-O 3.25Å; G323-L353 WeakPolarHBondContact O-CB 3.05Å; G323-L353 PolarHBondContact O-N 3.38Å; G323-L353 VanDerWaalsContact O-N 3.08Å; M325-L353 HydrophobicContact CB-CD1 4.13Å; M325-L353 HydrophobicContact CE-CD1 3.88Å; M325-L353 HydrophobicContact SD-CD1 4.11Å; S351-L353 PolarHBondContact O-N 2.97Å; L353-V558 HydrophobicContact CD2-CG2 4.28Å; L353-R644 HydrophobicContact CD1-CB 4.17Å; L353-R644 HydrophobicContact CD2-CB 4.18Å; L353-R644 HydrophobicContact CD2-CG 3.66Å |
| 354 | K | 82.5 | Confident | 64.5 | Low | 70 Ų | 70 | 70.5 Ų | 70.5 | 30% | 0.304 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 129.2 | 172.2 | -65.3 | -179.6 | -175.6 | 172.1 | 0 | 110.1 | I322 K555 V557 V558 | I322-K354 HydrophobicContact CG1-CG 4.46Å; K354-K555 PolarHBondContact NZ-O 3.37Å; K354-V557 HydrophobicContact CB-CG2 4.14Å; K354-V558 PolarHBondContact O-N 3.12Å |
| 355 | R | 77.8 | Confident | 67 | Low | 41 Ų | 41 | 63.1 Ų | 63.1 | 16% | 0.155 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 137.1 | 179.8 | -69.2 | -176.7 | 139.2 | -158 | -0.9 | 111.7 | T320 R321 M325 | T320-R355 CarbonylContact C-O 3.56Å; T320-R355 WeakPolarHBondContact CA-O 3.01Å; R321-R355 PolarHBondContact N-O 3.27Å; R321-R355 PolarHBondContact O-N 2.93Å; M325-R355 VanDerWaalsContact C-NH1 3.31Å; M325-R355 PolarHBondContact O-NH1 3.06Å; M325-R355 PolarHBondContact O-NH2 3.3Å; M325-R355 VanDerWaalsContact O-NH2 3.13Å; M325-R355 PolarHBondContact SD-NH2 3.33Å |
| 356 | P | 78.7 | Confident | 69 | Low | 15 Ų | 15 | 55.5 Ų | 55.5 | 10% | 0.097 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 126.4 | 175.3 | 30.6 | -18.1 | 0 | 0 | 0 | 108 | T405 L410 V557 Y559 | P356-T405 HydrophobicContact CB-CG2 4.44Å; P356-T405 PolarHBondContact O-OG1 3.42Å; P356-L410 HydrophobicContact CB-CD1 3.9Å; P356-V557 HydrophobicContact CB-CG1 4.47Å; P356-V557 HydrophobicContact CG-CG1 3.77Å; P356-Y559 HydrophobicContact CG-CD1 4.18Å; P356-Y559 HydrophobicContact CG-CE1 3.58Å |
| 357 | V | 76.2 | Confident | 71 | Confident | 49 Ų | 49 | 50.1 Ų | 50.1 | 30% | 0.297 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | -34.4 | -179.1 | 174.3 | 0 | 0 | 0 | 0 | 111.2 | L319 R321 L404 T405 | L319-V357 HydrophobicContact CD2-CB 4.07Å; L319-V357 HydrophobicContact CD2-CG1 4.03Å; L319-V357 PolarHBondContact O-N 3.22Å; R321-V357 HydrophobicContact CB-CG2 3.39Å; R321-V357 HydrophobicContact CG-CG2 4.45Å; V357-L404 HydrophobicContact CG1-CD2 4.03Å; V357-L404 WeakPolarHBondContact O-CA 3.34Å; V357-L404 WeakPolarHBondContact O-CD2 3.38Å; V357-T405 PolarHBondContact O-N 3.06Å; V357-T405 PolarHBondContact O-OG1 2.91Å |
| 358 | G | 82.8 | Confident | 73 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 157.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L319 K403 | L319-G358 WeakPolarHBondContact CB-O 3.18Å; L319-G358 PolarHBondContact N-O 3.21Å; L319-G358 PolarHBondContact O-N 3.49Å; G358-K403 CarbonylContact C-O 3.52Å; G358-K403 WeakPolarHBondContact CA-O 3.38Å |
| 359 | V | 87.1 | Confident | 74.6 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 149.8 | 173.3 | -66.8 | 0 | 0 | 0 | 0 | 109.9 | V317 T318 K403 T405 L410 A413 A417 | V317-V359 CarbonylContact O-C 3.13Å; V317-V359 WeakPolarHBondContact O-CA 3.4Å; T318-V359 HydrophobicContact CG2-CG1 4.26Å; V359-K403 HydrophobicContact CG2-CB 4.33Å; V359-K403 PolarHBondContact N-O 3.32Å; V359-K403 PolarHBondContact O-N 3.12Å; V359-T405 HydrophobicContact CG1-CG2 3.87Å; V359-T405 HydrophobicContact CG2-CG2 4.36Å; V359-L410 HydrophobicContact CG1-CD1 3.36Å; V359-L410 HydrophobicContact CG1-CG 4.5Å; V359-A413 HydrophobicContact CG1-CB 4.39Å; V359-A413 HydrophobicContact CG2-CB 3.76Å; V359-A417 HydrophobicContact CG2-CB 4.15Å |
| 360 | A | 86.9 | Confident | 75.8 | Confident | 4 Ų | 4 | 31.9 Ų | 31.9 | 3% | 0.033 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 143.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | V317 V400 F402 | V317-A360 HydrophobicContact CB-CB 4.24Å; V317-A360 PolarHBondContact N-O 3.26Å; V317-A360 PolarHBondContact O-N 2.92Å; A360-V400 HydrophobicContact CB-CG1 3.66Å; A360-F402 HydrophobicContact CB-CD1 3.81Å; A360-F402 HydrophobicContact CB-CE1 3.88Å; A360-F402 HydrophobicContact CB-CG 4.37Å |
| 361 | C | 86.6 | Confident | 76.5 | Confident | 16 Ų | 16 | 32.4 Ų | 32.4 | 11% | 0.108 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 131.2 | 174.5 | 174.7 | 0 | 0 | 0 | 0 | 107.1 | L315 L316 A417 I418 T421 | L315-C361 WeakPolarHBondContact O-CA 3.31Å; L316-C361 HydrophobicContact CD2-CB 3.78Å; C361-A417 HydrophobicContact CB-CB 3.86Å; C361-I418 HydrophobicContact CB-CG1 4.31Å; C361-T421 PolarHBondContact SG-OG1 3.04Å |
| 362 | L | 86.8 | Confident | 76.7 | Confident | 30 Ų | 30 | 31 Ų | 31 | 16% | 0.157 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 124.3 | 176.4 | 179.4 | 67.4 | 0 | 0 | 0 | 109.4 | L314 L315 I364 V400 I460 I463 | L314-L362 WeakPolarHBondContact CA-O 3.37Å; L315-L362 HydrophobicContact CB-CB 4.41Å; L315-L362 PolarHBondContact N-O 3.47Å; L315-L362 PolarHBondContact O-N 3.48Å; L362-I364 HydrophobicContact CB-CG2 4.42Å; L362-I364 HydrophobicContact CD2-CG2 3.66Å; L362-I364 HydrophobicContact CG-CG2 3.78Å; L362-I364 PolarHBondContact O-N 2.86Å; L362-V400 HydrophobicContact CD1-CG2 4.35Å; L362-V400 HydrophobicContact CD2-CG2 4.16Å; L362-I460 HydrophobicContact CD2-CD1 3.42Å; L362-I460 VanDerWaalsContact CD2-CD1 3.42Å; L362-I463 HydrophobicContact CD2-CD1 4.36Å |
| 363 | D | 86.3 | Confident | 76 | Confident | 7 Ų | 7 | 28.5 Ų | 28.5 | 4% | 0.037 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 107.7 | 166.9 | -168.1 | -18 | 0 | 0 | 0 | 109 | R312 L314 T365 T421 | R312-D363 WeakPolarHBondContact CD-OD2 3.31Å; R312-D363 IonicContact NH1-OD2 3.97Å; L314-D363 HydrophobicContact CD2-CB 3.89Å; D363-T365 WeakPolarHBondContact OD1-CB 3.37Å; D363-T365 PolarHBondContact OD1-N 3.22Å; D363-T365 PolarHBondContact OD1-OG1 2.94Å; D363-T421 HydrophobicContact CB-CG2 3.89Å |
| 364 | I | 84.9 | Confident | 74.3 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -94.8 | -1.4 | 179.9 | 59.3 | 169.9 | 0 | 0 | 0 | 112.1 | L195 L211 I313 L315 L362 S366 S367 I368 I463 | L195-I364 HydrophobicContact CD2-CD1 3.55Å; L211-I364 HydrophobicContact CD2-CD1 3.71Å; I313-I364 HydrophobicContact CB-CG1 4.31Å; I313-I364 HydrophobicContact CG2-CD1 3.83Å; I313-I364 HydrophobicContact CG2-CG1 3.84Å; I313-I364 WeakPolarHBondContact O-CG1 3.45Å; I313-I364 PolarHBondContact O-N 3.34Å; L315-I364 HydrophobicContact CB-CD1 4.4Å; L315-I364 HydrophobicContact CB-CG2 4.05Å; L362-I364 HydrophobicContact CB-CG2 4.42Å; L362-I364 HydrophobicContact CD2-CG2 3.66Å; L362-I364 HydrophobicContact CG-CG2 3.78Å; L362-I364 PolarHBondContact O-N 2.86Å; I364-S366 VanDerWaalsContact C-N 3.29Å; I364-S366 PolarHBondContact O-N 3.4Å; I364-S367 WeakPolarHBondContact O-CA 3.32Å; I364-S367 WeakPolarHBondContact O-CB 3.49Å; I364-S367 PolarHBondContact O-N 2.91Å; I364-S367 PolarHBondContact O-OG 2.89Å; I364-I368 HydrophobicContact CB-CD1 4.48Å; I364-I368 HydrophobicContact CD1-CD1 3.83Å; I364-I368 HydrophobicContact CG1-CD1 3.88Å; I364-I368 WeakPolarHBondContact O-CG1 3.18Å; I364-I368 PolarHBondContact O-N 2.87Å; I364-I463 HydrophobicContact CB-CD1 4.38Å; I364-I463 HydrophobicContact CG2-CD1 3.7Å | ||
| 365 | T | 83.3 | Confident | 72.2 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -55.1 | -42.9 | -175 | -49.1 | 0 | 0 | 0 | 0 | 112 | F306 R312 I313 D363 S367 I368 L369 W426 | F306-T365 HydrophobicContact CE2-CG2 3.91Å; F306-T365 HydrophobicContact CZ-CG2 4.07Å; R312-T365 WeakPolarHBondContact CB-OG1 3.24Å; I313-T365 PolarHBondContact N-OG1 2.86Å; I313-T365 PolarHBondContact O-OG1 3.25Å; D363-T365 WeakPolarHBondContact OD1-CB 3.37Å; D363-T365 PolarHBondContact OD1-N 3.22Å; D363-T365 PolarHBondContact OD1-OG1 2.94Å; T365-S367 VanDerWaalsContact C-N 3.26Å; T365-S367 PolarHBondContact O-N 3.35Å; T365-I368 PolarHBondContact O-N 3.17Å; T365-L369 HydrophobicContact CG2-CD1 4.05Å; T365-L369 HydrophobicContact CG2-CG 4.25Å; T365-L369 WeakPolarHBondContact O-CB 3.28Å; T365-L369 VanDerWaalsContact O-CG 3.3Å; T365-L369 WeakPolarHBondContact O-CG 3.39Å; T365-L369 PolarHBondContact O-N 3.45Å; T365-W426 HydrophobicContact CG2-CH2 4.25Å; T365-W426 HydrophobicContact CG2-CZ2 3.77Å |
| 366 | S | 72.3 | Confident | 70.2 | Confident | 41 Ų | 41 | 36.4 Ų | 36.4 | 29% | 0.287 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -67.1 | -21.7 | 177.7 | 62.7 | 0 | 0 | 0 | 0 | 114.5 | I364 P370 | I364-S366 VanDerWaalsContact C-N 3.29Å; I364-S366 PolarHBondContact O-N 3.4Å; S366-P370 WeakPolarHBondContact O-CD 3.45Å |
| 367 | S | 71.9 | Confident | 68 | Low | 15 Ų | 15 | 42.6 Ų | 42.6 | 11% | 0.105 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -83.2 | -27.9 | 177.2 | -30.7 | 0 | 0 | 0 | 0 | 111.4 | I364 T365 Y371 R398 | I364-S367 WeakPolarHBondContact O-CA 3.32Å; I364-S367 WeakPolarHBondContact O-CB 3.49Å; I364-S367 PolarHBondContact O-N 2.91Å; I364-S367 PolarHBondContact O-OG 2.89Å; T365-S367 VanDerWaalsContact C-N 3.26Å; T365-S367 PolarHBondContact O-N 3.35Å; S367-Y371 WeakPolarHBondContact O-CD2 3.45Å; S367-Y371 WeakPolarHBondContact O-CE2 3.35Å; S367-R398 PolarHBondContact OG-NH1 3.4Å; S367-R398 PolarHBondContact OG-NH2 3.35Å |
| 368 | I | 73.5 | Confident | 66.1 | Low | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -87.8 | -34.8 | 179.7 | -52.5 | 171.2 | 0 | 0 | 0 | 109.7 | F193 L195 F306 I313 I364 T365 Y371 F372 V465 | F193-I368 HydrophobicContact CE2-CG2 4.34Å; L195-I368 HydrophobicContact CD1-CD1 4.1Å; L195-I368 HydrophobicContact CD1-CG1 3.97Å; L195-I368 HydrophobicContact CD2-CD1 4.49Å; F306-I368 HydrophobicContact CE1-CG2 4.47Å; I313-I368 HydrophobicContact CB-CD1 4.47Å; I313-I368 HydrophobicContact CD1-CD1 4.27Å; I313-I368 HydrophobicContact CG2-CD1 4.49Å; I364-I368 HydrophobicContact CB-CD1 4.48Å; I364-I368 HydrophobicContact CD1-CD1 3.83Å; I364-I368 HydrophobicContact CG1-CD1 3.88Å; I364-I368 WeakPolarHBondContact O-CG1 3.18Å; I364-I368 PolarHBondContact O-N 2.87Å; T365-I368 PolarHBondContact O-N 3.17Å; I368-Y371 WeakPolarHBondContact O-CB 3.4Å; I368-Y371 PolarHBondContact O-N 3.41Å; I368-F372 HydrophobicContact CB-CE2 4.38Å; I368-F372 HydrophobicContact CG2-CD2 3.92Å; I368-F372 HydrophobicContact CG2-CE2 3.22Å; I368-F372 HydrophobicContact CG2-CZ 3.92Å; I368-V465 HydrophobicContact CB-CG2 4.2Å; I368-V465 HydrophobicContact CG1-CG2 4.37Å; I368-V465 HydrophobicContact CG2-CG2 3.56Å |
| 369 | L | 67.6 | Low | 63.7 | Low | 13 Ų | 13 | 50.1 Ų | 50.1 | 7% | 0.068 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -52.7 | -44.4 | -178.2 | -91.2 | 168.1 | 0 | 0 | 0 | 115.2 | Y308 T365 Y371 F372 N373 W426 | Y308-L369 HydrophobicContact CD1-CD2 3.91Å; Y308-L369 HydrophobicContact CD2-CD2 4.04Å; Y308-L369 HydrophobicContact CE1-CD2 4.37Å; Y308-L369 HydrophobicContact CG-CD2 3.74Å; T365-L369 HydrophobicContact CG2-CD1 4.05Å; T365-L369 HydrophobicContact CG2-CG 4.25Å; T365-L369 WeakPolarHBondContact O-CB 3.28Å; T365-L369 VanDerWaalsContact O-CG 3.3Å; T365-L369 WeakPolarHBondContact O-CG 3.39Å; T365-L369 PolarHBondContact O-N 3.45Å; L369-Y371 PolarHBondContact O-N 3.49Å; L369-F372 CarbonylContact O-C 3.49Å; L369-F372 WeakPolarHBondContact O-CA 3.32Å; L369-F372 PolarHBondContact O-N 2.94Å; L369-N373 WeakPolarHBondContact O-CB 3.32Å; L369-N373 PolarHBondContact O-N 3.05Å; L369-W426 HydrophobicContact CD1-CD2 4.33Å; L369-W426 HydrophobicContact CD1-CG 4.47Å |
| 370 | P | 64.6 | Low | 60.8 | Low | 53 Ų | 53 | 55 Ų | 55 | 34% | 0.344 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -57.1 | -32.5 | 177.4 | -27.3 | 34.1 | 0 | 0 | 0 | 112.9 | S366 F372 N373 R374 | S366-P370 WeakPolarHBondContact O-CD 3.45Å; P370-F372 VanDerWaalsContact C-N 3.28Å; P370-F372 PolarHBondContact O-N 2.97Å; P370-N373 PolarHBondContact O-N 3.45Å; P370-R374 WeakPolarHBondContact O-CB 3.31Å; P370-R374 VanDerWaalsContact O-CG 3.24Å; P370-R374 WeakPolarHBondContact O-CG 3.28Å; P370-R374 PolarHBondContact O-N 3.02Å |
| 371 | Y | 60 | Low | 58 | Low | 116 Ų | 116 | 64.4 Ų | 64.4 | 46% | 0.455 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -69.7 | -27.2 | 176.3 | -65 | -90.4 | 0 | 0 | 0 | 112.2 | S367 I368 L369 V465 | S367-Y371 WeakPolarHBondContact O-CD2 3.45Å; S367-Y371 WeakPolarHBondContact O-CE2 3.35Å; I368-Y371 WeakPolarHBondContact O-CB 3.4Å; I368-Y371 PolarHBondContact O-N 3.41Å; L369-Y371 PolarHBondContact O-N 3.49Å; Y371-V465 HydrophobicContact CD1-CB 3.99Å; Y371-V465 HydrophobicContact CD1-CG2 4.45Å; Y371-V465 HydrophobicContact CD2-CB 4.04Å; Y371-V465 HydrophobicContact CD2-CG2 3.59Å; Y371-V465 HydrophobicContact CE1-CB 4.44Å; Y371-V465 HydrophobicContact CE2-CB 4.48Å; Y371-V465 HydrophobicContact CE2-CG2 4.15Å; Y371-V465 HydrophobicContact CG-CB 3.77Å; Y371-V465 HydrophobicContact CG-CG2 3.77Å |
| 372 | F | 58.6 | Low | 55.2 | Low | 43 Ų | 43 | 66.1 Ų | 66.1 | 19% | 0.189 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -91.2 | -26.4 | 174.3 | -59.5 | -58.7 | 0 | 0 | 0 | 113.7 | F193 F306 I368 L369 P370 S375 | F193-F372 HydrophobicContact CD1-CE1 4.5Å; F193-F372 AromaticContact CD1-CZ 3.92Å; F193-F372 HydrophobicContact CD1-CZ 3.92Å; F193-F372 AromaticContact CE1-CZ 3.88Å; F193-F372 HydrophobicContact CE1-CZ 3.88Å; F193-F372 HydrophobicContact CG-CZ 4.33Å; F193-F372 HydrophobicContact CZ-CZ 4.26Å; F306-F372 AromaticContact CE1-CE2 3.89Å; F306-F372 HydrophobicContact CE1-CE2 3.89Å; F306-F372 HydrophobicContact CZ-CE2 4.46Å; I368-F372 HydrophobicContact CB-CE2 4.38Å; I368-F372 HydrophobicContact CG2-CD2 3.92Å; I368-F372 HydrophobicContact CG2-CE2 3.22Å; I368-F372 HydrophobicContact CG2-CZ 3.92Å; L369-F372 CarbonylContact O-C 3.49Å; L369-F372 WeakPolarHBondContact O-CA 3.32Å; L369-F372 PolarHBondContact O-N 2.94Å; P370-F372 VanDerWaalsContact C-N 3.28Å; P370-F372 PolarHBondContact O-N 2.97Å; F372-S375 PolarHBondContact O-OG 3.07Å |
| 373 | N | 50.6 | Low | 52.3 | Low | 70 Ų | 70 | 68.2 Ų | 68.2 | 37% | 0.374 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -94.8 | -19.5 | -176.4 | -80.3 | -11.5 | 0 | 0 | 0 | 114.5 | L369 P370 S375 | L369-N373 WeakPolarHBondContact O-CB 3.32Å; L369-N373 PolarHBondContact O-N 3.05Å; P370-N373 PolarHBondContact O-N 3.45Å; N373-S375 PolarHBondContact O-N 2.97Å |
| 374 | R | 40.2 | Very low | 49.5 | Very low | 147 Ų | 147 | 72 Ų | 72 | 56% | 0.555 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -68.3 | 5.6 | 179 | -84.7 | -175.3 | -177.6 | -166.5 | 2.3 | 114.3 | P370 S376 Q377 | P370-R374 WeakPolarHBondContact O-CB 3.31Å; P370-R374 VanDerWaalsContact O-CG 3.24Å; P370-R374 WeakPolarHBondContact O-CG 3.28Å; P370-R374 PolarHBondContact O-N 3.02Å; R374-S376 PolarHBondContact O-N 3.4Å; R374-S376 VanDerWaalsContact O-N 3.09Å; R374-Q377 CarbonylContact O-C 3.54Å; R374-Q377 PolarHBondContact O-N 3.24Å; R374-Q377 VanDerWaalsContact O-N 3.11Å |
| 375 | S | 38.8 | Very low | 46.7 | Very low | 38 Ų | 38 | 80 Ų | 80 | 27% | 0.266 | 43% | 0.43 | S | S | . | . | G | 310 helix | trans | -58.3 | -14.8 | 169.9 | 37.9 | 0 | 0 | 0 | 0 | 115.3 | A185 F372 N373 | A185-S375 WeakPolarHBondContact O-CB 3.26Å; F372-S375 PolarHBondContact O-OG 3.07Å; N373-S375 PolarHBondContact O-N 2.97Å |
| 376 | S | 35.6 | Very low | 44.1 | Very low | 107 Ų | 107 | 85.5 Ų | 85.5 | 75% | 0.748 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -90.4 | -10.8 | 174.1 | 62.4 | 0 | 0 | 0 | 0 | 115.1 | R374 | R374-S376 PolarHBondContact O-N 3.4Å; R374-S376 VanDerWaalsContact O-N 3.09Å |
| 377 | Q | 34.1 | Very low | 42 | Very low | 145 Ų | 145 | 90 Ų | 90 | 68% | 0.678 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -127 | 84.8 | 176.3 | -70.8 | -178.6 | -6 | 0 | 0 | 108.7 | R374 F379 | R374-Q377 CarbonylContact O-C 3.54Å; R374-Q377 PolarHBondContact O-N 3.24Å; R374-Q377 VanDerWaalsContact O-N 3.11Å; Q377-F379 PolarHBondContact O-N 3.29Å |
| 378 | L | 35.3 | Very low | 40.1 | Very low | 65 Ų | 65 | 97.2 Ų | 97.2 | 34% | 0.34 | 51% | 0.512 | S | S | . | . | trans | -71.7 | 109.8 | -166.3 | -150.2 | 88.8 | 0 | 0 | 0 | 112.7 | A185 | A185-L378 HydrophobicContact CB-CD1 4.28Š| ||
| 379 | F | 32.6 | Very low | 38.1 | Very low | 142 Ų | 142 | 103.2 Ų | 103.2 | 62% | 0.623 | 54% | 0.544 | S | S | * | . | trans | 32.7 | 104.6 | 137.7 | -67.8 | -91.4 | 0 | 0 | 0 | 122.6 | Q377 | Q377-F379 PolarHBondContact O-N 3.29Š| ||
| 380 | D | 27.2 | Very low | 36.3 | Very low | 104 Ų | 104 | 109 Ų | 109 | 56% | 0.556 | 58% | 0.576 | S | S | * | * | trans | -95.2 | 121.6 | 159.5 | -174.9 | -1.5 | 0 | 0 | 0 | 110 | G382 | D380-G382 PolarHBondContact OD1-N 3.27Š| ||
| 381 | W | 27.1 | Very low | 35.1 | Very low | 200 Ų | 200 | 112.2 Ų | 112.2 | 76% | 0.758 | 59% | 0.59 | S | S | * | * | trans | -115.9 | 12.7 | -174.7 | -128.2 | 42.8 | 0 | 0 | 0 | 113.9 | ||||
| 382 | G | 27.8 | Very low | 34 | Very low | 53 Ų | 53 | 111.4 Ų | 111.4 | 55% | 0.546 | 60% | 0.601 | S | S | . | * | trans | -108.5 | -19.5 | -166.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | D380 G384 | D380-G382 PolarHBondContact OD1-N 3.27Å; G382-G384 PolarHBondContact O-N 3.16Å | ||
| 383 | S | 25.9 | Very low | 33 | Very low | 73 Ų | 73 | 115.8 Ų | 115.8 | 51% | 0.51 | 63% | 0.625 | S | S | . | * | trans | -93 | 84.9 | -174.9 | -176.1 | 0 | 0 | 0 | 0 | 111.9 | K385 | S383-K385 PolarHBondContact O-N 3.44Å; S383-K385 PolarHBondContact OG-N 2.71Å; S383-K385 PolarHBondContact OG-O 3.06Å | ||
| 384 | G | 28.5 | Very low | 32.6 | Very low | 86 Ų | 86 | 118.7 Ų | 118.7 | 89% | 0.887 | 64% | 0.64 | S | S | * | * | trans | -62.2 | 9.4 | 160.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | G382 T386 | G382-G384 PolarHBondContact O-N 3.16Å; G384-T386 PolarHBondContact O-N 3.38Å | ||
| 385 | K | 25.1 | Very low | 32.4 | Very low | 170 Ų | 170 | 116.7 Ų | 116.7 | 74% | 0.739 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -86.7 | 103.9 | 160.2 | -69.1 | 178.7 | 179.3 | 175.9 | 0 | 107 | S383 I387 | S383-K385 PolarHBondContact O-N 3.44Å; S383-K385 PolarHBondContact OG-N 2.71Å; S383-K385 PolarHBondContact OG-O 3.06Å; K385-I387 VanDerWaalsContact C-N 3.34Å; K385-I387 PolarHBondContact O-N 3.47Å |
| 386 | T | 28.2 | Very low | 32.9 | Very low | 114 Ų | 114 | 120.5 Ų | 120.5 | 70% | 0.699 | 65% | 0.654 | S | S | * | * | trans | -42.9 | 103.8 | 158.2 | 52.7 | 0 | 0 | 0 | 0 | 107.3 | G384 K388 | G384-T386 PolarHBondContact O-N 3.38Å; T386-K388 PolarHBondContact O-N 3.18Å | ||
| 387 | I | 29.2 | Very low | 33.8 | Very low | 137 Ų | 137 | 120.7 Ų | 120.7 | 70% | 0.703 | 64% | 0.641 | S | S | * | * | trans | -65.3 | 86 | 162.4 | -63.7 | 173.1 | 0 | 0 | 0 | 103.4 | K385 D389 | K385-I387 VanDerWaalsContact C-N 3.34Å; K385-I387 PolarHBondContact O-N 3.47Å; I387-D389 PolarHBondContact O-N 2.93Å | ||
| 388 | K | 30.5 | Very low | 35.5 | Very low | 166 Ų | 166 | 117.3 Ų | 117.3 | 72% | 0.722 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | 125.4 | 160.1 | -76.4 | -176.7 | 173.3 | -178.4 | 0 | 104.9 | T386 | T386-K388 PolarHBondContact O-N 3.18Š|
| 389 | D | 32 | Very low | 37.3 | Very low | 125 Ų | 125 | 118.1 Ų | 118.1 | 67% | 0.668 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 94.4 | 36.6 | 154.1 | -46.6 | -27.9 | 0 | 0 | 0 | 118.8 | I387 | I387-D389 PolarHBondContact O-N 2.93Š|
| 390 | D | 30.5 | Very low | 39.3 | Very low | 136 Ų | 136 | 112.2 Ų | 112.2 | 73% | 0.727 | 60% | 0.601 | S | S | * | * | trans | -120.8 | 50.2 | 146.9 | -83.2 | -29.3 | 0 | 0 | 0 | 110.6 | S392 | D390-S392 PolarHBondContact O-N 3.4Å; D390-S392 VanDerWaalsContact O-N 3.09Å | ||
| 391 | N | 38.8 | Very low | 41.8 | Very low | 120 Ų | 120 | 111.8 Ų | 111.8 | 64% | 0.642 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | 14.4 | 176.3 | -83.9 | -15.1 | 0 | 0 | 0 | 114.2 | ||
| 392 | S | 38.1 | Very low | 44.3 | Very low | 99 Ų | 99 | 102.5 Ų | 102.5 | 69% | 0.692 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -11.1 | -173.5 | 58.7 | 0 | 0 | 0 | 0 | 115.3 | D390 | D390-S392 PolarHBondContact O-N 3.4Å; D390-S392 VanDerWaalsContact O-N 3.09Å |
| 393 | I | 37.5 | Very low | 46.8 | Very low | 135 Ų | 135 | 104.4 Ų | 104.4 | 69% | 0.692 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.2 | -11.3 | -170.5 | -68.9 | 176.3 | 0 | 0 | 0 | 115.2 | ||
| 394 | L | 40.6 | Very low | 49.3 | Very low | 131 Ų | 131 | 105.6 Ų | 105.6 | 69% | 0.686 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.5 | 4.6 | 178 | -79.7 | 167.8 | 0 | 0 | 0 | 115.8 | H396 | L394-H396 PolarHBondContact O-N 3.27Š|
| 395 | D | 36.3 | Very low | 51.4 | Low | 104 Ų | 104 | 101.6 Ų | 101.6 | 56% | 0.556 | 52% | 0.516 | S | S | * | . | trans | -80.5 | 54.3 | 179.2 | -130.7 | 8.7 | 0 | 0 | 0 | 111.3 | K397 | D395-K397 VanDerWaalsContact C-N 3.31Å; D395-K397 PolarHBondContact O-N 3.02Å | ||
| 396 | H | 49.8 | Very low | 53.5 | Low | 119 Ų | 119 | 96.6 Ų | 96.6 | 55% | 0.551 | 51% | 0.512 | S | S | * | . | trans | -81.9 | 82.2 | 174.2 | -63.6 | -30.2 | 0 | 0 | 0 | 109.2 | L394 R398 | L394-H396 PolarHBondContact O-N 3.27Å; H396-R398 WeakPolarHBondContact O-CG 3.48Å; H396-R398 PolarHBondContact O-N 2.85Å | ||
| 397 | K | 55.4 | Low | 55 | Low | 110 Ų | 110 | 97.9 Ų | 97.9 | 48% | 0.478 | 51% | 0.51 | S | S | . | . | trans | -51.6 | 107.7 | 163.8 | -176.6 | 178.9 | 178.4 | -178.1 | 0 | 108.7 | D395 E459 | D395-K397 VanDerWaalsContact C-N 3.31Å; D395-K397 PolarHBondContact O-N 3.02Å; K397-E459 WeakPolarHBondContact CE-OE1 3.4Å; K397-E459 WeakPolarHBondContact CE-OE2 3.5Å; K397-E459 IonicContact NZ-OE1 3.66Å; K397-E459 PolarHBondContact NZ-OE1 2.83Å; K397-E459 IonicContact NZ-OE2 3.67Å; K397-E459 PolarHBondContact NZ-OE2 3.07Å | ||
| 398 | R | 69.4 | Low | 56.7 | Low | 74 Ų | 74 | 94.2 Ų | 94.2 | 28% | 0.279 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 112.9 | -179.3 | -64.6 | -170.4 | -175 | -168.2 | 4.5 | 109.3 | S367 H396 I460 | S367-R398 PolarHBondContact OG-NH1 3.4Å; S367-R398 PolarHBondContact OG-NH2 3.35Å; H396-R398 WeakPolarHBondContact O-CG 3.48Å; H396-R398 PolarHBondContact O-N 2.85Å; R398-I460 HydrophobicContact CB-CB 4.38Å; R398-I460 PolarHBondContact N-O 2.89Å; R398-I460 PolarHBondContact O-N 2.61Å |
| 399 | I | 72 | Confident | 58.4 | Low | 83 Ų | 83 | 87.6 Ų | 87.6 | 43% | 0.426 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 112 | 173 | -58.8 | 177.3 | 0 | 0 | 0 | 107.6 | K457 L458 | I399-K457 HydrophobicContact CG2-CB 3.91Å; I399-K457 HydrophobicContact CG2-CD 3.89Å; I399-K457 HydrophobicContact CG2-CG 4.07Å; I399-L458 WeakPolarHBondContact CA-O 3.49Å |
| 400 | V | 75.9 | Confident | 60.3 | Low | 17 Ų | 17 | 82.7 Ų | 82.7 | 10% | 0.103 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 117.1 | 176.4 | -170 | 0 | 0 | 0 | 0 | 108.6 | A360 L362 L458 I460 | A360-V400 HydrophobicContact CB-CG1 3.66Å; L362-V400 HydrophobicContact CD1-CG2 4.35Å; L362-V400 HydrophobicContact CD2-CG2 4.16Å; V400-L458 HydrophobicContact CB-CB 4.31Å; V400-L458 PolarHBondContact N-O 2.88Å; V400-L458 PolarHBondContact O-N 2.75Å; V400-I460 HydrophobicContact CG2-CD1 3.84Å |
| 401 | N | 79.6 | Confident | 62 | Low | 96 Ų | 96 | 77.4 Ų | 77.4 | 51% | 0.513 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 129.5 | 176.7 | -64.9 | -37.3 | 0 | 0 | 0 | 109.6 | ||
| 402 | F | 79.3 | Confident | 63.5 | Low | 5 Ų | 5 | 75.7 Ų | 75.7 | 2% | 0.022 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 131.7 | 173 | -76.3 | -87.2 | 0 | 0 | 0 | 110.8 | P203 L207 V317 L319 A360 V455 P456 L458 | P203-F402 HydrophobicContact CG-CE2 3.99Å; L207-F402 HydrophobicContact CD2-CZ 3.92Å; V317-F402 HydrophobicContact CB-CE1 4.35Å; V317-F402 HydrophobicContact CG1-CE1 3.77Å; V317-F402 HydrophobicContact CG1-CZ 3.75Å; L319-F402 HydrophobicContact CB-CD1 3.89Å; L319-F402 HydrophobicContact CB-CE1 3.77Å; L319-F402 HydrophobicContact CB-CZ 4.32Å; L319-F402 HydrophobicContact CD1-CE1 4.25Å; L319-F402 HydrophobicContact CD1-CE2 4.09Å; L319-F402 HydrophobicContact CD1-CZ 3.95Å; A360-F402 HydrophobicContact CB-CD1 3.81Å; A360-F402 HydrophobicContact CB-CE1 3.88Å; A360-F402 HydrophobicContact CB-CG 4.37Å; F402-V455 VanDerWaalsContact O-CG1 3.22Å; F402-V455 WeakPolarHBondContact O-CG1 3.5Å; F402-P456 HydrophobicContact CB-CG 4.44Å; F402-P456 HydrophobicContact CD2-CB 4.47Å; F402-P456 HydrophobicContact CD2-CG 4.41Å; F402-P456 WeakPolarHBondContact CD2-O 3.47Å; F402-L458 HydrophobicContact CE2-CB 3.68Å; F402-L458 HydrophobicContact CZ-CB 4.17Å; F402-L458 HydrophobicContact CZ-CD2 4.46Å |
| 403 | K | 80.4 | Confident | 65.4 | Low | 92 Ų | 92 | 71.2 Ų | 71.2 | 40% | 0.4 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 118 | 164.2 | -74.3 | -179.6 | 178 | 173 | 0 | 108.5 | G358 V359 T405 D420 | G358-K403 CarbonylContact C-O 3.52Å; G358-K403 WeakPolarHBondContact CA-O 3.38Å; V359-K403 HydrophobicContact CG2-CB 4.33Å; V359-K403 PolarHBondContact N-O 3.32Å; V359-K403 PolarHBondContact O-N 3.12Å; K403-T405 PolarHBondContact O-N 3.05Å; K403-D420 IonicContact NZ-OD2 2.81Å; K403-D420 PolarHBondContact NZ-OD2 2.83Å |
| 404 | L | 78.2 | Confident | 67.3 | Low | 98 Ų | 98 | 65.4 Ų | 65.4 | 51% | 0.513 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 127.6 | 175.7 | -65.7 | 171.2 | 0 | 0 | 0 | 109.4 | V357 G406 | V357-L404 HydrophobicContact CG1-CD2 4.03Å; V357-L404 WeakPolarHBondContact O-CA 3.34Å; V357-L404 WeakPolarHBondContact O-CD2 3.38Å; L404-G406 VanDerWaalsContact C-N 3.27Å; L404-G406 PolarHBondContact O-N 3Å |
| 405 | T | 71.9 | Confident | 68.9 | Low | 3 Ų | 3 | 62.5 Ų | 62.5 | 2% | 0.018 | 32% | 0.321 | C | S | . | . | trans | -70 | -25.4 | -177.6 | 48.9 | 0 | 0 | 0 | 0 | 112.3 | P356 V357 V359 K403 E407 Q408 A413 | P356-T405 HydrophobicContact CB-CG2 4.44Å; P356-T405 PolarHBondContact O-OG1 3.42Å; V357-T405 PolarHBondContact O-N 3.06Å; V357-T405 PolarHBondContact O-OG1 2.91Å; V359-T405 HydrophobicContact CG1-CG2 3.87Å; V359-T405 HydrophobicContact CG2-CG2 4.36Å; K403-T405 PolarHBondContact O-N 3.05Å; T405-E407 PolarHBondContact O-N 3.41Å; T405-Q408 VanDerWaalsContact O-CB 3.25Å; T405-Q408 WeakPolarHBondContact O-CB 3.22Å; T405-Q408 WeakPolarHBondContact O-CG 3.36Å; T405-Q408 PolarHBondContact O-N 3.1Å; T405-A413 HydrophobicContact CG2-CB 3.76Å | ||
| 406 | G | 69.4 | Low | 70.9 | Confident | 65 Ų | 65 | 62.8 Ų | 62.8 | 67% | 0.67 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | -122.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | L404 | L404-G406 VanDerWaalsContact C-N 3.27Å; L404-G406 PolarHBondContact O-N 3Å |
| 407 | E | 60.9 | Low | 72.3 | Confident | 140 Ų | 140 | 57.3 Ų | 57.3 | 65% | 0.654 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | 8.6 | 174.3 | -60.5 | -170.7 | 160.1 | 0 | 0 | 113.4 | T405 K562 | T405-E407 PolarHBondContact O-N 3.41Å; E407-K562 WeakPolarHBondContact O-CE 3.16Å; E407-K562 PolarHBondContact O-NZ 2.72Å |
| 408 | Q | 65.1 | Low | 73.3 | Confident | 60 Ų | 60 | 52.1 Ų | 52.1 | 28% | 0.28 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -77.4 | 156 | -178.3 | -61.2 | 165.6 | 19.7 | 0 | 0 | 111.6 | T405 A413 R416 | T405-Q408 VanDerWaalsContact O-CB 3.25Å; T405-Q408 WeakPolarHBondContact O-CB 3.22Å; T405-Q408 WeakPolarHBondContact O-CG 3.36Å; T405-Q408 PolarHBondContact O-N 3.1Å; Q408-A413 HydrophobicContact CB-CB 4.45Å; Q408-R416 VanDerWaalsContact OE1-NH1 3.09Å |
| 409 | F | 65.7 | Low | 73.7 | Confident | 27 Ų | 27 | 52.6 Ų | 52.6 | 12% | 0.118 | 28% | 0.275 | C | S | . | . | trans | -65.6 | 147.4 | 171.8 | -64 | -66.4 | 0 | 0 | 0 | 110.1 | S411 E412 A413 Y559 K562 Q564 | F409-S411 PolarHBondContact O-N 2.93Å; F409-E412 HydrophobicContact CB-CB 4.25Å; F409-E412 HydrophobicContact CB-CG 4.21Å; F409-E412 HydrophobicContact CD2-CG 4.14Å; F409-E412 WeakPolarHBondContact CD2-OE1 3.15Å; F409-E412 PolarHBondContact O-N 3.25Å; F409-A413 WeakPolarHBondContact O-CB 3.39Å; F409-A413 PolarHBondContact O-N 2.85Å; F409-Y559 HydrophobicContact CD1-CD1 4.43Å; F409-Y559 HydrophobicContact CD1-CD2 4.35Å; F409-Y559 HydrophobicContact CD1-CE1 4.42Å; F409-Y559 HydrophobicContact CD1-CE2 4.33Å; F409-Y559 HydrophobicContact CD1-CG 4.38Å; F409-K562 HydrophobicContact CD1-CD 3.92Å; F409-K562 HydrophobicContact CE1-CB 4.16Å; F409-K562 HydrophobicContact CE1-CD 3.14Å; F409-K562 HydrophobicContact CE1-CG 4.25Å; F409-K562 HydrophobicContact CE2-CD 4Å; F409-K562 HydrophobicContact CZ-CD 3.22Å; F409-K562 HydrophobicContact CZ-CG 4.47Å; F409-Q564 WeakPolarHBondContact CE1-O 3.35Å; F409-Q564 WeakPolarHBondContact CZ-O 3.32Å | ||
| 410 | L | 70.6 | Confident | 73.8 | Confident | 22 Ų | 22 | 53 Ų | 53 | 12% | 0.115 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -54.7 | -42.4 | 176.1 | -178 | 68.4 | 0 | 0 | 0 | 110.4 | T318 P356 V359 A413 L414 Y559 | T318-L410 HydrophobicContact CG2-CD1 3.77Å; T318-L410 HydrophobicContact CG2-CD2 4.24Å; T318-L410 HydrophobicContact CG2-CG 4.33Å; P356-L410 HydrophobicContact CB-CD1 3.9Å; V359-L410 HydrophobicContact CG1-CD1 3.36Å; V359-L410 HydrophobicContact CG1-CG 4.5Å; L410-A413 PolarHBondContact O-N 3.1Å; L410-L414 WeakPolarHBondContact O-CB 3.13Å; L410-L414 PolarHBondContact O-N 2.81Å; L410-Y559 HydrophobicContact CB-CE1 4.45Å; L410-Y559 WeakPolarHBondContact CB-OH 3.42Å; L410-Y559 PolarHBondContact N-OH 3.45Å |
| 411 | S | 68 | Low | 73.9 | Confident | 25 Ų | 25 | 53.3 Ų | 53.3 | 18% | 0.175 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.9 | -47.6 | 176.7 | 54.7 | 0 | 0 | 0 | 0 | 113.3 | F409 A413 L414 L415 Y566 | F409-S411 PolarHBondContact O-N 2.93Å; S411-A413 VanDerWaalsContact C-N 3.33Å; S411-A413 PolarHBondContact O-N 2.82Å; S411-L414 CarbonylContact O-C 3.47Å; S411-L414 PolarHBondContact O-N 2.94Å; S411-L415 WeakPolarHBondContact O-CB 3.48Å; S411-L415 PolarHBondContact O-N 2.84Å; S411-Y566 WeakPolarHBondContact OG-CD1 2.99Å |
| 412 | E | 70.4 | Confident | 73.4 | Confident | 85 Ų | 85 | 54.2 Ų | 54.2 | 40% | 0.397 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.4 | -41.7 | 177.2 | -76.7 | 179.7 | 178.4 | 0 | 0 | 112.1 | F409 L414 L415 R416 | F409-E412 HydrophobicContact CB-CB 4.25Å; F409-E412 HydrophobicContact CB-CG 4.21Å; F409-E412 HydrophobicContact CD2-CG 4.14Å; F409-E412 WeakPolarHBondContact CD2-OE1 3.15Å; F409-E412 PolarHBondContact O-N 3.25Å; E412-L414 VanDerWaalsContact C-N 3.32Å; E412-L415 PolarHBondContact O-N 2.84Å; E412-R416 WeakPolarHBondContact O-CB 3.49Å; E412-R416 PolarHBondContact O-N 3.25Å |
| 413 | A | 76.1 | Confident | 72.6 | Confident | 5 Ų | 5 | 56.3 Ų | 56.3 | 4% | 0.041 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.9 | -39.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | V359 T405 Q408 F409 L410 S411 R416 A417 | V359-A413 HydrophobicContact CG1-CB 4.39Å; V359-A413 HydrophobicContact CG2-CB 3.76Å; T405-A413 HydrophobicContact CG2-CB 3.76Å; Q408-A413 HydrophobicContact CB-CB 4.45Å; F409-A413 WeakPolarHBondContact O-CB 3.39Å; F409-A413 PolarHBondContact O-N 2.85Å; L410-A413 PolarHBondContact O-N 3.1Å; S411-A413 VanDerWaalsContact C-N 3.33Å; S411-A413 PolarHBondContact O-N 2.82Å; A413-R416 PolarHBondContact O-N 2.8Å; A413-A417 WeakPolarHBondContact O-CB 3.25Å; A413-A417 PolarHBondContact O-N 3.22Å |
| 414 | L | 78.7 | Confident | 71.4 | Confident | 13 Ų | 13 | 56 Ų | 56 | 7% | 0.068 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -71.1 | -39 | 177.8 | -170.9 | 139.5 | 0 | 0 | 0 | 111.3 | L316 T318 L410 S411 E412 A417 I418 | L316-L414 HydrophobicContact CB-CD1 4.22Å; L316-L414 HydrophobicContact CD1-CD1 4.19Å; L316-L414 HydrophobicContact CD1-CD2 3.74Å; L316-L414 HydrophobicContact CD1-CG 4.32Å; L316-L414 HydrophobicContact CD2-CD1 4.2Å; L316-L414 HydrophobicContact CD2-CD2 3.97Å; L316-L414 HydrophobicContact CD2-CG 3.94Å; L316-L414 HydrophobicContact CG-CD1 4.44Å; L316-L414 HydrophobicContact CG-CD2 4.44Å; T318-L414 HydrophobicContact CG2-CD1 4Å; L410-L414 WeakPolarHBondContact O-CB 3.13Å; L410-L414 PolarHBondContact O-N 2.81Å; S411-L414 CarbonylContact O-C 3.47Å; S411-L414 PolarHBondContact O-N 2.94Å; E412-L414 VanDerWaalsContact C-N 3.32Å; L414-A417 CarbonylContact O-C 3.31Å; L414-A417 WeakPolarHBondContact O-CB 3.17Å; L414-A417 PolarHBondContact O-N 2.83Å; L414-I418 HydrophobicContact CD2-CD1 3.55Å; L414-I418 HydrophobicContact CD2-CG1 4.41Å; L414-I418 HydrophobicContact CG-CD1 4.47Å; L414-I418 WeakPolarHBondContact O-CB 3.1Å; L414-I418 WeakPolarHBondContact O-CG1 3.47Å; L414-I418 PolarHBondContact O-N 2.84Å |
| 415 | L | 74.1 | Confident | 70.1 | Confident | 70 Ų | 70 | 55.6 Ų | 55.6 | 37% | 0.366 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.9 | -39.1 | 174.5 | -147.7 | 124.5 | 0 | 0 | 0 | 110.8 | S411 E412 I418 N419 | S411-L415 WeakPolarHBondContact O-CB 3.48Å; S411-L415 PolarHBondContact O-N 2.84Å; E412-L415 PolarHBondContact O-N 2.84Å; L415-I418 PolarHBondContact O-N 2.88Å; L415-N419 VanDerWaalsContact O-CB 3.31Å; L415-N419 WeakPolarHBondContact O-CB 3.28Å; L415-N419 PolarHBondContact O-N 2.88Å; L415-N419 PolarHBondContact O-ND2 2.78Å; L415-N419 PolarHBondContact O-OD1 2.8Å |
| 416 | R | 77.2 | Confident | 68.9 | Low | 110 Ų | 110 | 59.5 Ų | 59.5 | 42% | 0.415 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.6 | -45 | 167.5 | -98.7 | -176.9 | -97.3 | -176.5 | -7 | 112 | Q408 E412 A413 I418 N419 D420 | Q408-R416 VanDerWaalsContact OE1-NH1 3.09Å; E412-R416 WeakPolarHBondContact O-CB 3.49Å; E412-R416 PolarHBondContact O-N 3.25Å; A413-R416 PolarHBondContact O-N 2.8Å; R416-I418 VanDerWaalsContact C-N 3.27Å; R416-I418 PolarHBondContact O-N 2.81Å; R416-N419 PolarHBondContact O-N 2.79Å; R416-D420 WeakPolarHBondContact O-CB 3.3Å; R416-D420 PolarHBondContact O-N 2.87Å |
| 417 | A | 79.6 | Confident | 67.3 | Low | 3 Ų | 3 | 61 Ų | 61 | 3% | 0.025 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.4 | -42.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111 | V359 C361 A413 L414 T421 | V359-A417 HydrophobicContact CG2-CB 4.15Å; C361-A417 HydrophobicContact CB-CB 3.86Å; A413-A417 WeakPolarHBondContact O-CB 3.25Å; A413-A417 PolarHBondContact O-N 3.22Å; L414-A417 CarbonylContact O-C 3.31Å; L414-A417 WeakPolarHBondContact O-CB 3.17Å; L414-A417 PolarHBondContact O-N 2.83Å; A417-T421 PolarHBondContact O-N 3.21Å; A417-T421 PolarHBondContact O-OG1 2.8Å |
| 418 | I | 77.8 | Confident | 66.1 | Low | 1 Ų | 1 | 61.4 Ų | 61.4 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.2 | -47 | 175.9 | -69.2 | 168 | 0 | 0 | 0 | 111.9 | L279 R312 L314 L316 C361 L414 L415 R416 D420 T421 | L279-I418 HydrophobicContact CD1-CD1 3.37Å; L279-I418 HydrophobicContact CD2-CD1 3.89Å; L279-I418 HydrophobicContact CG-CD1 4.28Å; R312-I418 PolarHBondContact NH2-O 2.92Å; L314-I418 HydrophobicContact CD1-CD1 4.45Å; L314-I418 HydrophobicContact CD1-CG1 4.1Å; L314-I418 HydrophobicContact CD1-CG2 3.87Å; L316-I418 HydrophobicContact CD1-CD1 4.41Å; L316-I418 HydrophobicContact CD2-CD1 3.92Å; L316-I418 HydrophobicContact CD2-CG1 3.82Å; C361-I418 HydrophobicContact CB-CG1 4.31Å; L414-I418 HydrophobicContact CD2-CD1 3.55Å; L414-I418 HydrophobicContact CD2-CG1 4.41Å; L414-I418 HydrophobicContact CG-CD1 4.47Å; L414-I418 WeakPolarHBondContact O-CB 3.1Å; L414-I418 WeakPolarHBondContact O-CG1 3.47Å; L414-I418 PolarHBondContact O-N 2.84Å; L415-I418 PolarHBondContact O-N 2.88Å; R416-I418 VanDerWaalsContact C-N 3.27Å; R416-I418 PolarHBondContact O-N 2.81Å; I418-D420 VanDerWaalsContact C-N 3.3Å; I418-D420 PolarHBondContact O-N 3.43Å; I418-T421 WeakPolarHBondContact O-CB 3.49Å; I418-T421 PolarHBondContact O-N 2.67Å; I418-T421 VanDerWaalsContact O-N 3.1Å |
| 419 | N | 76.5 | Confident | 64.4 | Low | 85 Ų | 85 | 65 Ų | 65 | 46% | 0.455 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.7 | -35.4 | -179.7 | -71.2 | -10.3 | 0 | 0 | 0 | 111.9 | L415 R416 T421 | L415-N419 VanDerWaalsContact O-CB 3.31Å; L415-N419 WeakPolarHBondContact O-CB 3.28Å; L415-N419 PolarHBondContact O-N 2.88Å; L415-N419 PolarHBondContact O-ND2 2.78Å; L415-N419 PolarHBondContact O-OD1 2.8Å; R416-N419 PolarHBondContact O-N 2.79Å; N419-T421 VanDerWaalsContact C-N 3.29Å |
| 420 | D | 75.3 | Confident | 63 | Low | 91 Ų | 91 | 71.8 Ų | 71.8 | 49% | 0.487 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -79.1 | -14.7 | 175.5 | -63.6 | -20.1 | 0 | 0 | 0 | 112.2 | K403 R416 I418 Q422 | K403-D420 IonicContact NZ-OD2 2.81Å; K403-D420 PolarHBondContact NZ-OD2 2.83Å; R416-D420 WeakPolarHBondContact O-CB 3.3Å; R416-D420 PolarHBondContact O-N 2.87Å; I418-D420 VanDerWaalsContact C-N 3.3Å; I418-D420 PolarHBondContact O-N 3.43Å; D420-Q422 PolarHBondContact O-N 2.91Å |
| 421 | T | 76.7 | Confident | 61.1 | Low | 24 Ų | 24 | 78.2 Ų | 78.2 | 15% | 0.147 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -75.3 | 96.7 | 173.7 | -54.2 | 0 | 0 | 0 | 0 | 107.9 | R312 C361 D363 A417 I418 N419 V423 | R312-T421 PolarHBondContact NH1-O 2.88Å; C361-T421 PolarHBondContact SG-OG1 3.04Å; D363-T421 HydrophobicContact CB-CG2 3.89Å; A417-T421 PolarHBondContact O-N 3.21Å; A417-T421 PolarHBondContact O-OG1 2.8Å; I418-T421 WeakPolarHBondContact O-CB 3.49Å; I418-T421 PolarHBondContact O-N 2.67Å; I418-T421 VanDerWaalsContact O-N 3.1Å; N419-T421 VanDerWaalsContact C-N 3.29Å; T421-V423 PolarHBondContact O-N 2.86Å |
| 422 | Q | 68.6 | Low | 59.2 | Low | 115 Ų | 115 | 81.2 Ų | 81.2 | 54% | 0.537 | 43% | 0.432 | S | S | . | . | trans | -49.4 | 134.4 | -178.8 | -69 | -173.7 | 0.2 | 0 | 0 | 111.3 | D420 L424 | D420-Q422 PolarHBondContact O-N 2.91Å; Q422-L424 PolarHBondContact O-N 2.87Å | ||
| 423 | V | 63.8 | Low | 57.2 | Low | 48 Ų | 48 | 81 Ų | 81 | 29% | 0.291 | 45% | 0.452 | S | S | . | . | trans | -71.1 | 99.5 | 167.8 | -177.2 | 0 | 0 | 0 | 0 | 106.4 | L216 P275 T421 S425 | L216-V423 HydrophobicContact CD2-CG2 4.46Å; P275-V423 HydrophobicContact CG-CG2 4.42Å; T421-V423 PolarHBondContact O-N 2.86Å; V423-S425 PolarHBondContact O-N 2.88Å | ||
| 424 | L | 54.9 | Low | 54.7 | Low | 85 Ų | 85 | 90.5 Ų | 90.5 | 45% | 0.445 | 49% | 0.489 | S | S | . | . | trans | -59 | 126.6 | 177.3 | -73.1 | 164.6 | 0 | 0 | 0 | 109.1 | Q422 W426 | Q422-L424 PolarHBondContact O-N 2.87Å; L424-W426 PolarHBondContact O-N 2.9Å; L424-W426 PolarHBondContact O-NE1 2.8Å | ||
| 425 | S | 50.1 | Low | 52.4 | Low | 90 Ų | 90 | 95.1 Ų | 95.1 | 63% | 0.629 | 52% | 0.52 | S | S | * | . | trans | -68.6 | 124.7 | 179.9 | 57.7 | 0 | 0 | 0 | 0 | 111.4 | V423 S427 | V423-S425 PolarHBondContact O-N 2.88Å; S425-S427 PolarHBondContact O-N 2.78Å | ||
| 426 | W | 46.7 | Very low | 50.3 | Low | 86 Ų | 86 | 99.4 Ų | 99.4 | 33% | 0.326 | 54% | 0.543 | S | S | . | . | trans | -96.3 | 66.3 | 179.6 | -49.9 | -27.8 | 0 | 0 | 0 | 111.3 | L216 Y308 T365 L369 L424 | L216-W426 HydrophobicContact CD1-CH2 4.1Å; Y308-W426 VanDerWaalsContact C-CZ3 3.49Å; Y308-W426 HydrophobicContact CD2-CD2 4.41Å; Y308-W426 AromaticContact CD2-CE3 3.52Å; Y308-W426 HydrophobicContact CD2-CE3 3.52Å; Y308-W426 HydrophobicContact CD2-CH2 4.32Å; Y308-W426 AromaticContact CD2-CZ3 3.49Å; Y308-W426 HydrophobicContact CD2-CZ3 3.49Å; Y308-W426 VanDerWaalsContact CD2-CZ3 3.49Å; Y308-W426 HydrophobicContact CE2-CE3 4.07Å; Y308-W426 HydrophobicContact CE2-CZ3 4.4Å; Y308-W426 HydrophobicContact CG-CZ3 4.3Å; Y308-W426 WeakPolarHBondContact O-CH2 3.47Å; Y308-W426 WeakPolarHBondContact O-CZ3 3.43Å; T365-W426 HydrophobicContact CG2-CH2 4.25Å; T365-W426 HydrophobicContact CG2-CZ2 3.77Å; L369-W426 HydrophobicContact CD1-CD2 4.33Å; L369-W426 HydrophobicContact CD1-CG 4.47Å; L424-W426 PolarHBondContact O-N 2.9Å; L424-W426 PolarHBondContact O-NE1 2.8Å | ||
| 427 | S | 36.6 | Very low | 47.9 | Very low | 96 Ų | 96 | 100.7 Ų | 100.7 | 67% | 0.671 | 56% | 0.555 | S | S | * | * | trans | -88.1 | 118.8 | 178.3 | 58 | 0 | 0 | 0 | 0 | 111.6 | S425 N429 | S425-S427 PolarHBondContact O-N 2.78Å; S427-N429 PolarHBondContact O-N 2.96Å | ||
| 428 | N | 35.5 | Very low | 45.6 | Very low | 148 Ų | 148 | 105.2 Ų | 105.2 | 79% | 0.791 | 58% | 0.579 | S | S | * | * | trans | -80.9 | 41.6 | -175.9 | -128.5 | 17.2 | 0 | 0 | 0 | 113.3 | ||||
| 429 | N | 29.9 | Very low | 43.5 | Very low | 135 Ų | 135 | 110.8 Ų | 110.8 | 72% | 0.722 | 61% | 0.608 | S | S | * | * | trans | -100.8 | 98.7 | -176 | -113.8 | -1.7 | 0 | 0 | 0 | 111.2 | S427 N431 | S427-N429 PolarHBondContact O-N 2.96Å; N429-N431 VanDerWaalsContact C-N 3.35Å; N429-N431 PolarHBondContact O-N 3.14Å | ||
| 430 | Q | 35.4 | Very low | 41.4 | Very low | 171 Ų | 171 | 110.9 Ų | 110.9 | 80% | 0.799 | 61% | 0.612 | S | S | * | * | trans | -84.2 | 5.7 | 178.8 | -74.4 | -170.7 | -7.8 | 0 | 0 | 114.9 | ||||
| 431 | N | 31.8 | Very low | 39.3 | Very low | 157 Ų | 157 | 110.3 Ų | 110.3 | 84% | 0.84 | 61% | 0.612 | S | S | * | * | trans | -119.8 | 12.5 | -170.7 | -84.6 | 5.7 | 0 | 0 | 0 | 117.1 | N429 G433 | N429-N431 VanDerWaalsContact C-N 3.35Å; N429-N431 PolarHBondContact O-N 3.14Å; N431-G433 PolarHBondContact O-N 2.83Å | ||
| 432 | S | 28.4 | Very low | 37.2 | Very low | 88 Ų | 88 | 113.7 Ų | 113.7 | 62% | 0.615 | 63% | 0.628 | S | S | * | * | trans | -88.2 | 95.7 | 166.5 | 59.2 | 0 | 0 | 0 | 0 | 109.8 | Y434 | S432-Y434 PolarHBondContact O-N 2.94Š| ||
| 433 | G | 27.5 | Very low | 35.3 | Very low | 80 Ų | 80 | 115.2 Ų | 115.2 | 83% | 0.825 | 64% | 0.639 | S | S | * | * | trans | -70.3 | 65.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | N431 | N431-G433 PolarHBondContact O-N 2.83Š| ||
| 434 | Y | 24.3 | Very low | 33.5 | Very low | 205 Ų | 205 | 116.7 Ų | 116.7 | 80% | 0.804 | 65% | 0.651 | S | S | * | * | trans | -101.4 | 118.9 | 157.4 | -84.9 | -82.3 | 0 | 0 | 0 | 107.9 | S432 | S432-Y434 PolarHBondContact O-N 2.94Š| ||
| 435 | P | 30.8 | Very low | 32.2 | Very low | 110 Ų | 110 | 117.8 Ų | 117.8 | 71% | 0.714 | 66% | 0.657 | S | S | * | * | trans | -70.2 | 137.8 | 178.3 | 30.4 | -31.3 | 0 | 0 | 0 | 109.2 | M437 | P435-M437 PolarHBondContact O-N 3.17Š| ||
| 436 | D | 29.2 | Very low | 31 | Very low | 159 Ų | 159 | 118.8 Ų | 118.8 | 85% | 0.85 | 66% | 0.661 | S | S | * | * | trans | 38 | 67 | 158.1 | -64.6 | -25.6 | 0 | 0 | 0 | 115.7 | D438 | D436-D438 PolarHBondContact O-N 2.9Š| ||
| 437 | M | 27.2 | Very low | 30.1 | Very low | 138 Ų | 138 | 119.8 Ų | 119.8 | 68% | 0.68 | 68% | 0.681 | S | S | * | * | trans | -68.3 | 90.7 | 148.2 | -100.8 | -94.2 | -82.3 | 0 | 0 | 106.7 | P435 L439 I442 | P435-M437 PolarHBondContact O-N 3.17Å; M437-L439 PolarHBondContact O-N 3.34Å; M437-I442 HydrophobicContact CE-CD1 4.35Å; M437-I442 HydrophobicContact CE-CG1 4.43Å | ||
| 438 | D | 30.5 | Very low | 29.8 | Very low | 98 Ų | 98 | 122.2 Ų | 122.2 | 52% | 0.524 | 69% | 0.685 | S | S | . | * | trans | -46.3 | 112.5 | 174.8 | -166.4 | 3.6 | 0 | 0 | 0 | 108.8 | D436 T440 T441 | D436-D438 PolarHBondContact O-N 2.9Å; D438-T440 PolarHBondContact O-N 2.85Å; D438-T440 WeakPolarHBondContact OD1-CG2 3.08Å; D438-T440 PolarHBondContact OD1-OG1 2.73Å; D438-T440 PolarHBondContact OD2-OG1 2.8Å; D438-T441 WeakPolarHBondContact O-CB 3.4Å; D438-T441 PolarHBondContact O-N 3.09Å; D438-T441 PolarHBondContact O-OG1 2.91Å | ||
| 439 | L | 33.4 | Very low | 29.4 | Very low | 118 Ų | 118 | 120.7 Ų | 120.7 | 62% | 0.618 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59 | -13.3 | -177.2 | -96.7 | 151.1 | 0 | 0 | 0 | 112.3 | M437 T441 I442 L443 | M437-L439 PolarHBondContact O-N 3.34Å; L439-T441 PolarHBondContact O-N 3.15Å; L439-I442 PolarHBondContact O-N 3.13Å; L439-L443 PolarHBondContact O-N 2.73Å |
| 440 | T | 33.3 | Very low | 29.5 | Very low | 86 Ų | 86 | 121.1 Ų | 121.1 | 53% | 0.528 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -59 | -31.5 | 167.1 | 62.1 | 0 | 0 | 0 | 0 | 112.3 | D438 L443 S444 | D438-T440 PolarHBondContact O-N 2.85Å; D438-T440 WeakPolarHBondContact OD1-CG2 3.08Å; D438-T440 PolarHBondContact OD1-OG1 2.73Å; D438-T440 PolarHBondContact OD2-OG1 2.8Å; T440-L443 PolarHBondContact O-N 3.35Å; T440-S444 PolarHBondContact O-N 3.25Å |
| 441 | T | 31.7 | Very low | 29.2 | Very low | 79 Ų | 79 | 120.3 Ų | 120.3 | 49% | 0.485 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -76.6 | -29.2 | -177.5 | -24.1 | 0 | 0 | 0 | 0 | 113.4 | D438 L439 S444 | D438-T441 WeakPolarHBondContact O-CB 3.4Å; D438-T441 PolarHBondContact O-N 3.09Å; D438-T441 PolarHBondContact O-OG1 2.91Å; L439-T441 PolarHBondContact O-N 3.15Å; T441-S444 PolarHBondContact O-OG 3.3Å |
| 442 | I | 31.9 | Very low | 29.3 | Very low | 95 Ų | 95 | 119.1 Ų | 119.1 | 49% | 0.487 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -79.5 | -25.7 | 174 | -60.2 | 177.6 | 0 | 0 | 0 | 110.6 | M437 L439 | M437-I442 HydrophobicContact CE-CD1 4.35Å; M437-I442 HydrophobicContact CE-CG1 4.43Å; L439-I442 PolarHBondContact O-N 3.13Å |
| 443 | L | 29.4 | Very low | 29.7 | Very low | 147 Ų | 147 | 119 Ų | 119 | 77% | 0.77 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -82.1 | -9.4 | 173.9 | -71 | 171.5 | 0 | 0 | 0 | 113.8 | L439 T440 I445 | L439-L443 PolarHBondContact O-N 2.73Å; T440-L443 PolarHBondContact O-N 3.35Å; L443-I445 PolarHBondContact O-N 2.66Å |
| 444 | S | 25.7 | Very low | 31.1 | Very low | 79 Ų | 79 | 120 Ų | 120 | 55% | 0.552 | 68% | 0.675 | S | S | * | * | trans | -81.9 | 57.1 | 164.9 | 61.2 | 0 | 0 | 0 | 0 | 111.5 | T440 T441 | T440-S444 PolarHBondContact O-N 3.25Å; T441-S444 PolarHBondContact O-OG 3.3Å | ||
| 445 | I | 28.1 | Very low | 32.6 | Very low | 109 Ų | 109 | 113.7 Ų | 113.7 | 56% | 0.559 | 66% | 0.658 | S | S | * | * | trans | -60.8 | 126.9 | 154 | -62 | 173.7 | 0 | 0 | 0 | 104.8 | L443 S447 | L443-I445 PolarHBondContact O-N 2.66Å; I445-S447 PolarHBondContact O-N 3.25Å | ||
| 446 | P | 24.5 | Very low | 34.3 | Very low | 111 Ų | 111 | 110.2 Ų | 110.2 | 72% | 0.721 | 64% | 0.635 | S | S | * | * | trans | -54.7 | 109 | -174.5 | 21.3 | -31.4 | 0 | 0 | 0 | 107.7 | I448 | P446-I448 VanDerWaalsContact C-N 3.32Å; P446-I448 PolarHBondContact O-N 3.13Å | ||
| 447 | S | 28 | Very low | 36.6 | Very low | 107 Ų | 107 | 108.2 Ų | 108.2 | 75% | 0.748 | 62% | 0.619 | S | S | * | * | trans | -55.2 | 107.1 | 168.2 | 50.6 | 0 | 0 | 0 | 0 | 104.8 | I445 S449 | I445-S447 PolarHBondContact O-N 3.25Å; S447-S449 PolarHBondContact O-N 3.03Å | ||
| 448 | I | 30.4 | Very low | 39.1 | Very low | 147 Ų | 147 | 101.7 Ų | 101.7 | 75% | 0.754 | 59% | 0.586 | S | S | * | * | trans | -46.3 | 113.2 | 163.8 | -61.5 | 168.9 | 0 | 0 | 0 | 103.7 | P446 L450 | P446-I448 VanDerWaalsContact C-N 3.32Å; P446-I448 PolarHBondContact O-N 3.13Å; I448-L450 HydrophobicContact CG2-CD1 3.68Å; I448-L450 PolarHBondContact O-N 3.2Å | ||
| 449 | S | 26.7 | Very low | 41.5 | Very low | 116 Ų | 116 | 98.5 Ų | 98.5 | 81% | 0.811 | 57% | 0.568 | S | S | * | * | trans | -67.4 | 80.6 | -173 | 60.1 | 0 | 0 | 0 | 0 | 108.6 | S447 | S447-S449 PolarHBondContact O-N 3.03Š| ||
| 450 | L | 31.2 | Very low | 43.9 | Very low | 143 Ų | 143 | 93 Ų | 93 | 75% | 0.749 | 54% | 0.54 | S | S | * | . | trans | -91.6 | 127.1 | 156.1 | -91.6 | 82.5 | 0 | 0 | 0 | 105.9 | I448 S452 | I448-L450 HydrophobicContact CG2-CD1 3.68Å; I448-L450 PolarHBondContact O-N 3.2Å; L450-S452 PolarHBondContact O-N 3.22Å | ||
| 451 | D | 28.8 | Very low | 46.1 | Very low | 155 Ų | 155 | 91.3 Ų | 91.3 | 83% | 0.829 | 53% | 0.526 | S | S | * | . | trans | -30.1 | 115.3 | -176.8 | -79.6 | -37.2 | 0 | 0 | 0 | 113.3 | S453 | D451-S453 PolarHBondContact O-N 3.19Š| ||
| 452 | S | 35.3 | Very low | 48.5 | Very low | 131 Ų | 131 | 90 Ų | 90 | 92% | 0.916 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -74.2 | 23 | -169 | 44.2 | 0 | 0 | 0 | 0 | 115.1 | L450 | L450-S452 PolarHBondContact O-N 3.22Š|
| 453 | S | 36.3 | Very low | 50.9 | Low | 87 Ų | 87 | 86.6 Ų | 86.6 | 61% | 0.608 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -101.6 | 116.8 | 168.9 | 66.8 | 0 | 0 | 0 | 0 | 110.3 | D451 | D451-S453 PolarHBondContact O-N 3.19Š|
| 454 | E | 56 | Low | 53.4 | Low | 100 Ų | 100 | 80.3 Ų | 80.3 | 47% | 0.467 | 47% | 0.465 | S | S | . | . | trans | 101.7 | 25.3 | 157.4 | -52.2 | 174.9 | 169.3 | 0 | 0 | 120.5 | I337 P456 | I337-E454 WeakPolarHBondContact CB-OE1 3.38Å; I337-E454 WeakPolarHBondContact CD1-OE2 3.46Å; I337-E454 WeakPolarHBondContact CG1-OE1 3.38Å; I337-E454 WeakPolarHBondContact CG1-OE2 3.2Å; I337-E454 PolarHBondContact N-OE1 3.45Å; E454-P456 WeakPolarHBondContact O-CD 3.31Å | ||
| 455 | V | 56.8 | Low | 55.7 | Low | 73 Ų | 73 | 77.5 Ų | 77.5 | 44% | 0.442 | 44% | 0.444 | S | S | . | . | trans | -84.3 | 119.7 | 164.9 | -176 | 0 | 0 | 0 | 0 | 110.4 | F402 | F402-V455 VanDerWaalsContact O-CG1 3.22Å; F402-V455 WeakPolarHBondContact O-CG1 3.5Å | ||
| 456 | P | 66.5 | Low | 57.7 | Low | 36 Ų | 36 | 74 Ų | 74 | 23% | 0.234 | 43% | 0.426 | C | S | . | . | trans | -63.9 | 141.9 | 175.8 | 23.7 | -29.8 | 0 | 0 | 0 | 110.7 | P203 L319 F402 E454 | P203-P456 HydrophobicContact CB-CB 3.91Å; L319-P456 HydrophobicContact CD2-CG 3.85Å; F402-P456 HydrophobicContact CB-CG 4.44Å; F402-P456 HydrophobicContact CD2-CB 4.47Å; F402-P456 HydrophobicContact CD2-CG 4.41Å; F402-P456 WeakPolarHBondContact CD2-O 3.47Å; E454-P456 WeakPolarHBondContact O-CD 3.31Å | ||
| 457 | K | 76.4 | Confident | 59.3 | Low | 118 Ų | 118 | 73.5 Ų | 73.5 | 51% | 0.513 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 136 | -178.8 | -67.3 | 179.2 | 174.1 | -178.2 | 0 | 109.3 | I399 | I399-K457 HydrophobicContact CG2-CB 3.91Å; I399-K457 HydrophobicContact CG2-CD 3.89Å; I399-K457 HydrophobicContact CG2-CG 4.07Å |
| 458 | L | 80.7 | Confident | 60.5 | Low | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 121.9 | 171 | 178 | 65.5 | 0 | 0 | 0 | 109.1 | F199 L202 L207 V317 I399 V400 F402 I460 | F199-L458 HydrophobicContact CD1-CD1 3.89Å; F199-L458 HydrophobicContact CD1-CD2 4.47Å; F199-L458 HydrophobicContact CD1-CG 4.34Å; F199-L458 HydrophobicContact CE1-CD1 4.4Å; F199-L458 HydrophobicContact CE1-CD2 4.21Å; L202-L458 HydrophobicContact CD2-CD1 3.45Å; L202-L458 VanDerWaalsContact CD2-CD1 3.45Å; L207-L458 HydrophobicContact CD2-CD1 3.78Å; V317-L458 HydrophobicContact CB-CD2 4.43Å; V317-L458 HydrophobicContact CG1-CD2 4.11Å; V317-L458 HydrophobicContact CG2-CD2 4.02Å; I399-L458 WeakPolarHBondContact CA-O 3.49Å; V400-L458 HydrophobicContact CB-CB 4.31Å; V400-L458 PolarHBondContact N-O 2.88Å; V400-L458 PolarHBondContact O-N 2.75Å; F402-L458 HydrophobicContact CE2-CB 3.68Å; F402-L458 HydrophobicContact CZ-CB 4.17Å; F402-L458 HydrophobicContact CZ-CD2 4.46Å; L458-I460 HydrophobicContact CD2-CG1 4.39Å; L458-I460 HydrophobicContact CG-CG1 4.37Å |
| 459 | E | 80.9 | Confident | 61.3 | Low | 31 Ų | 31 | 71 Ų | 71 | 15% | 0.145 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 111.8 | 174.2 | -47 | -171.2 | 141.4 | 0 | 0 | 110.5 | K200 N201 K397 | K200-E459 PolarHBondContact N-O 3.32Å; K200-E459 VanDerWaalsContact N-O 3.16Å; K200-E459 WeakPolarHBondContact O-CB 3.45Å; N201-E459 PolarHBondContact ND2-OE2 3.2Å; K397-E459 WeakPolarHBondContact CE-OE1 3.4Å; K397-E459 WeakPolarHBondContact CE-OE2 3.5Å; K397-E459 IonicContact NZ-OE1 3.66Å; K397-E459 PolarHBondContact NZ-OE1 2.83Å; K397-E459 IonicContact NZ-OE2 3.67Å; K397-E459 PolarHBondContact NZ-OE2 3.07Å |
| 460 | I | 83 | Confident | 62.1 | Low | 3 Ų | 3 | 69.6 Ų | 69.6 | 2% | 0.015 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 114 | 169 | -60.4 | 168.5 | 0 | 0 | 0 | 106.9 | V197 F199 L315 L362 R398 V400 L458 I463 | V197-I460 HydrophobicContact CG1-CG2 3.92Å; F199-I460 HydrophobicContact CD1-CG1 3.94Å; F199-I460 HydrophobicContact CE1-CD1 4.32Å; F199-I460 HydrophobicContact CE1-CG1 3.73Å; L315-I460 HydrophobicContact CD2-CD1 4.05Å; L362-I460 HydrophobicContact CD2-CD1 3.42Å; L362-I460 VanDerWaalsContact CD2-CD1 3.42Å; R398-I460 HydrophobicContact CB-CB 4.38Å; R398-I460 PolarHBondContact N-O 2.89Å; R398-I460 PolarHBondContact O-N 2.61Å; V400-I460 HydrophobicContact CG2-CD1 3.84Å; L458-I460 HydrophobicContact CD2-CG1 4.39Å; L458-I460 HydrophobicContact CG-CG1 4.37Å; I460-I463 HydrophobicContact CG2-CD1 4.1Å; I460-I463 HydrophobicContact CG2-CG1 3.76Å |
| 461 | H | 80.1 | Confident | 62.7 | Low | 51 Ų | 51 | 66.4 Ų | 66.4 | 24% | 0.236 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | -41.7 | -177.1 | -175.6 | 41.3 | 0 | 0 | 0 | 111.5 | R198 K200 | R198-H461 HydrophobicContact CB-CB 4.41Å; R198-H461 PolarHBondContact O-N 3.03Å; K200-H461 HydrophobicContact CD-CB 4.07Å; K200-H461 VanDerWaalsContact CE-CD2 3.42Å; K200-H461 WeakPolarHBondContact CE-CD2 3.35Å; K200-H461 HydrophobicContact CG-CB 4.06Å; K200-H461 PolarHBondContact NZ-CD2 3.24Å; K200-H461 VanDerWaalsContact NZ-CD2 3.33Å; K200-H461 PolarHBondContact NZ-CE1 3.43Å; K200-H461 PolarHBondContact NZ-NE2 3.27Å |
| 462 | E | 82.6 | Confident | 63.4 | Low | 51 Ų | 51 | 64.9 Ų | 64.9 | 24% | 0.238 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 141.2 | -172.1 | -167.9 | -173.6 | 158 | 0 | 0 | 111.2 | R196 V197 R198 T464 | R196-E462 IonicContact CZ-OE1 3.57Å; R196-E462 IonicContact NH2-OE1 3.41Å; R196-E462 PolarHBondContact NH2-OE1 3.31Å; V197-E462 WeakPolarHBondContact CA-O 3.47Å; R198-E462 HydrophobicContact CB-CB 4.19Å; R198-E462 WeakPolarHBondContact CD-OE2 3.17Å; R198-E462 IonicContact CZ-OE2 3.81Å; R198-E462 PolarHBondContact N-O 3.45Å; R198-E462 IonicContact NE-OE2 3.76Å; R198-E462 IonicContact NH1-OE1 3.15Å; R198-E462 IonicContact NH1-OE2 3.75Å; R198-E462 PolarHBondContact NH1-OE2 3.43Å; R198-E462 PolarHBondContact O-N 2.79Å; E462-T464 HydrophobicContact CG-CG2 3.94Å; E462-T464 WeakPolarHBondContact OE1-CG2 3.45Å |
| 463 | I | 82.4 | Confident | 64 | Low | 23 Ų | 23 | 64.3 Ų | 64.3 | 12% | 0.118 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 119.4 | 169.4 | -58.4 | 174.4 | 0 | 0 | 0 | 107.5 | L195 R196 V197 L362 I364 I460 | L195-I463 HydrophobicContact CD1-CG2 3.84Å; R196-I463 WeakPolarHBondContact O-CA 3.35Å; V197-I463 HydrophobicContact CG1-CG1 4.23Å; V197-I463 HydrophobicContact CG2-CG1 4.46Å; V197-I463 HydrophobicContact CG2-CG2 4.5Å; L362-I463 HydrophobicContact CD2-CD1 4.36Å; I364-I463 HydrophobicContact CB-CD1 4.38Å; I364-I463 HydrophobicContact CG2-CD1 3.7Å; I460-I463 HydrophobicContact CG2-CD1 4.1Å; I460-I463 HydrophobicContact CG2-CG1 3.76Å |
| 464 | T | 80.4 | Confident | 64.6 | Low | 16 Ų | 16 | 65.3 Ų | 65.3 | 10% | 0.098 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 135.8 | -178.8 | 46 | 0 | 0 | 0 | 0 | 111.1 | R196 E462 | R196-T464 WeakPolarHBondContact CB-OG1 3.3Å; R196-T464 PolarHBondContact N-O 2.79Å; R196-T464 PolarHBondContact NE-OG1 2.98Å; R196-T464 PolarHBondContact NH2-OG1 3.06Å; R196-T464 PolarHBondContact O-N 3.22Å; E462-T464 HydrophobicContact CG-CG2 3.94Å; E462-T464 WeakPolarHBondContact OE1-CG2 3.45Å |
| 465 | V | 75.6 | Confident | 64.6 | Low | 19 Ų | 19 | 64.3 Ų | 64.3 | 12% | 0.115 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 124 | 169.6 | -176.2 | 0 | 0 | 0 | 0 | 107.9 | F193 L195 I368 Y371 | F193-V465 HydrophobicContact CB-CG1 4.09Å; F193-V465 HydrophobicContact CD2-CG1 3.9Å; F193-V465 HydrophobicContact CG-CG1 4.27Å; L195-V465 HydrophobicContact CD1-CG2 4.17Å; I368-V465 HydrophobicContact CB-CG2 4.2Å; I368-V465 HydrophobicContact CG1-CG2 4.37Å; I368-V465 HydrophobicContact CG2-CG2 3.56Å; Y371-V465 HydrophobicContact CD1-CB 3.99Å; Y371-V465 HydrophobicContact CD1-CG2 4.45Å; Y371-V465 HydrophobicContact CD2-CB 4.04Å; Y371-V465 HydrophobicContact CD2-CG2 3.59Å; Y371-V465 HydrophobicContact CE1-CB 4.44Å; Y371-V465 HydrophobicContact CE2-CB 4.48Å; Y371-V465 HydrophobicContact CE2-CG2 4.15Å; Y371-V465 HydrophobicContact CG-CB 3.77Å; Y371-V465 HydrophobicContact CG-CG2 3.77Å |
| 466 | L | 68.3 | Low | 64.7 | Low | 37 Ų | 37 | 71.8 Ų | 71.8 | 19% | 0.194 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 133.2 | 176.4 | -62 | 176.6 | 0 | 0 | 0 | 108.8 | N194 R196 V299 | N194-L466 HydrophobicContact CB-CB 3.9Å; N194-L466 PolarHBondContact N-O 2.95Å; N194-L466 PolarHBondContact O-N 3.46Å; R196-L466 HydrophobicContact CB-CD1 3.73Å; R196-L466 HydrophobicContact CB-CG 3.99Å; V299-L466 HydrophobicContact CG1-CD1 4.14Å |
| 467 | N | 58.9 | Low | 64.8 | Low | 100 Ų | 100 | 75.4 Ų | 75.4 | 54% | 0.535 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 130.9 | 172.1 | -83.1 | -23.9 | 0 | 0 | 0 | 109.9 | L469 E470 | N467-L469 PolarHBondContact O-N 3.27Å; N467-L469 VanDerWaalsContact O-N 3.13Å; N467-E470 HydrophobicContact CB-CG 4.27Å; N467-E470 PolarHBondContact O-N 3.37Å; N467-E470 VanDerWaalsContact O-N 3.15Å |
| 468 | S | 52.7 | Low | 64.9 | Low | 36 Ų | 36 | 70.3 Ų | 70.3 | 25% | 0.252 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -22.8 | -179.5 | -67.4 | 0 | 0 | 0 | 0 | 114 | P192 | P192-S468 PolarHBondContact O-OG 3.49Š|
| 469 | L | 47.6 | Very low | 64.8 | Low | 166 Ų | 166 | 73.2 Ų | 73.2 | 87% | 0.869 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -18 | 178.6 | -84.6 | 103.4 | 0 | 0 | 0 | 114.5 | N467 G471 | N467-L469 PolarHBondContact O-N 3.27Å; N467-L469 VanDerWaalsContact O-N 3.13Å; L469-G471 PolarHBondContact O-N 3.2Å |
| 470 | E | 43.3 | Very low | 64.7 | Low | 86 Ų | 86 | 76.3 Ų | 76.3 | 40% | 0.402 | 40% | 0.397 | S | S | . | . | trans | -78.5 | 94.9 | 178.5 | -77.2 | 175.3 | 179.2 | 0 | 0 | 108.6 | N467 H472 | N467-E470 HydrophobicContact CB-CG 4.27Å; N467-E470 PolarHBondContact O-N 3.37Å; N467-E470 VanDerWaalsContact O-N 3.15Å; E470-H472 PolarHBondContact O-N 3.49Å | ||
| 471 | G | 43.4 | Very low | 64.6 | Low | 76 Ų | 76 | 76.3 Ų | 76.3 | 78% | 0.784 | 40% | 0.398 | S | S | * | . | trans | -65.5 | 58.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L469 | L469-G471 PolarHBondContact O-N 3.2Š| ||
| 472 | H | 44.5 | Very low | 64.5 | Low | 123 Ų | 123 | 78.3 Ų | 78.3 | 57% | 0.569 | 40% | 0.403 | S | S | * | . | trans | -58.8 | 128.3 | 169.7 | -87.5 | -58.4 | 0 | 0 | 0 | 108.4 | E470 F474 | E470-H472 PolarHBondContact O-N 3.49Å; H472-F474 PolarHBondContact O-N 3.38Å | ||
| 473 | P | 47 | Very low | 64.3 | Low | 119 Ų | 119 | 78 Ų | 78 | 77% | 0.773 | 40% | 0.399 | S | S | * | . | trans | -56.5 | 115.9 | 179 | 21.6 | -30.9 | 0 | 0 | 0 | 108.3 | N475 | P473-N475 PolarHBondContact O-N 2.79Š| ||
| 474 | F | 49.5 | Very low | 63.8 | Low | 107 Ų | 107 | 78.4 Ų | 78.4 | 47% | 0.469 | 40% | 0.4 | S | S | . | . | trans | -47 | 115 | -175.9 | -62.5 | -90.8 | 0 | 0 | 0 | 109.6 | H472 R476 Y480 | H472-F474 PolarHBondContact O-N 3.38Å; F474-R476 PolarHBondContact O-N 3.4Å; F474-Y480 AromaticContact CD1-CE1 3.87Å; F474-Y480 HydrophobicContact CD1-CE1 3.87Å; F474-Y480 HydrophobicContact CD1-CE2 4.23Å; F474-Y480 AromaticContact CD1-CZ 3.58Å; F474-Y480 WeakPolarHBondContact CD1-OH 3.46Å; F474-Y480 HydrophobicContact CE1-CE1 4.27Å | ||
| 475 | N | 56.8 | Low | 63 | Low | 79 Ų | 79 | 79.4 Ų | 79.4 | 42% | 0.422 | 41% | 0.41 | S | S | . | . | trans | -64 | 114.4 | 173.5 | -172.9 | 5.1 | 0 | 0 | 0 | 106.7 | E297 P473 D477 A478 | E297-N475 PolarHBondContact OE2-ND2 3.46Å; P473-N475 PolarHBondContact O-N 2.79Å; N475-D477 PolarHBondContact O-N 3.46Å; N475-A478 HydrophobicContact CB-CB 4.24Å; N475-A478 WeakPolarHBondContact O-CB 3.3Å; N475-A478 PolarHBondContact O-N 3.02Å | ||
| 476 | R | 58.9 | Low | 62.1 | Low | 231 Ų | 231 | 79.7 Ų | 79.7 | 87% | 0.872 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -18.3 | -174.9 | -73.8 | -172.8 | 178.4 | -172.7 | -0.1 | 113.1 | F474 | F474-R476 PolarHBondContact O-N 3.4Š|
| 477 | D | 67.9 | Low | 61.2 | Low | 111 Ų | 111 | 80.8 Ų | 80.8 | 59% | 0.594 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -1.9 | -179.7 | -70.1 | -11.3 | 0 | 0 | 0 | 114.7 | N475 | N475-D477 PolarHBondContact O-N 3.46Š|
| 478 | A | 77.7 | Confident | 60.8 | Low | 11 Ų | 11 | 82.9 Ų | 82.9 | 9% | 0.091 | 42% | 0.423 | C | S | . | . | trans | -86.5 | 138.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | E297 V299 N475 Y480 | E297-A478 HydrophobicContact CB-CB 4.24Å; E297-A478 HydrophobicContact CG-CB 3.98Å; E297-A478 WeakPolarHBondContact O-CA 3.43Å; V299-A478 HydrophobicContact CG2-CB 4.35Å; N475-A478 HydrophobicContact CB-CB 4.24Å; N475-A478 WeakPolarHBondContact O-CB 3.3Å; N475-A478 PolarHBondContact O-N 3.02Å; A478-Y480 HydrophobicContact CB-CE2 3.95Å; A478-Y480 WeakPolarHBondContact O-CD2 3.49Å; A478-Y480 WeakPolarHBondContact O-CE2 3.44Å | ||
| 479 | L | 80.3 | Confident | 60.4 | Low | 62 Ų | 62 | 84.2 Ų | 84.2 | 33% | 0.325 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 113.5 | 176.6 | -68.8 | 170.9 | 0 | 0 | 0 | 110.1 | V286 L288 Y296 E297 V298 V299 | V286-L479 HydrophobicContact CG2-CB 4.27Å; V286-L479 HydrophobicContact CG2-CD1 4.37Å; L288-L479 HydrophobicContact CD2-CD1 3.3Å; Y296-L479 HydrophobicContact CD1-CD1 3.46Å; Y296-L479 VanDerWaalsContact CD1-CD1 3.46Å; Y296-L479 HydrophobicContact CD1-CG 4.35Å; Y296-L479 HydrophobicContact CE1-CD1 3.82Å; Y296-L479 HydrophobicContact CG-CD1 4.49Å; E297-L479 PolarHBondContact O-N 3.36Å; V298-L479 CarbonylContact C-O 3.53Å; V298-L479 WeakPolarHBondContact CA-O 3.42Å; V298-L479 HydrophobicContact CG2-CB 4.41Å; V299-L479 PolarHBondContact N-O 3.5Å |
| 480 | Y | 78 | Confident | 60.2 | Low | 96 Ų | 96 | 80.9 Ų | 80.9 | 38% | 0.376 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 126.3 | 178.9 | -68 | -91.6 | 0 | 0 | 0 | 110.8 | V299 T301 F474 A478 | V299-Y480 HydrophobicContact CB-CD1 3.78Å; V299-Y480 HydrophobicContact CB-CE1 3.82Å; V299-Y480 HydrophobicContact CG1-CD1 4Å; V299-Y480 HydrophobicContact CG1-CE1 3.91Å; V299-Y480 HydrophobicContact CG2-CD1 4.48Å; V299-Y480 HydrophobicContact CG2-CE1 4.1Å; V299-Y480 CarbonylContact O-C 3.53Å; V299-Y480 WeakPolarHBondContact O-CA 3.03Å; T301-Y480 HydrophobicContact CG2-CD1 3.87Å; F474-Y480 AromaticContact CD1-CE1 3.87Å; F474-Y480 HydrophobicContact CD1-CE1 3.87Å; F474-Y480 HydrophobicContact CD1-CE2 4.23Å; F474-Y480 AromaticContact CD1-CZ 3.58Å; F474-Y480 WeakPolarHBondContact CD1-OH 3.46Å; F474-Y480 HydrophobicContact CE1-CE1 4.27Å; A478-Y480 HydrophobicContact CB-CE2 3.95Å; A478-Y480 WeakPolarHBondContact O-CD2 3.49Å; A478-Y480 WeakPolarHBondContact O-CE2 3.44Å |
| 481 | V | 79.9 | Confident | 60 | Low | 3 Ų | 3 | 80.2 Ų | 80.2 | 2% | 0.018 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 116.4 | -177.8 | -172.3 | 0 | 0 | 0 | 0 | 108.9 | E284 V286 V298 V299 F300 T301 | E284-V481 HydrophobicContact CB-CG1 4.08Å; E284-V481 WeakPolarHBondContact O-CG1 3.37Å; V286-V481 HydrophobicContact CB-CG2 3.69Å; V286-V481 HydrophobicContact CG2-CG2 3.42Å; V286-V481 VanDerWaalsContact CG2-CG2 3.42Å; V298-V481 HydrophobicContact CG1-CG2 3.56Å; V299-V481 PolarHBondContact O-N 3.13Å; F300-V481 HydrophobicContact CD1-CB 3.61Å; F300-V481 HydrophobicContact CD1-CG1 3.78Å; F300-V481 HydrophobicContact CD1-CG2 4.02Å; F300-V481 HydrophobicContact CE1-CB 4.02Å; F300-V481 HydrophobicContact CE1-CG1 3.99Å; F300-V481 HydrophobicContact CE1-CG2 4.01Å; F300-V481 HydrophobicContact CG-CB 4.43Å; T301-V481 PolarHBondContact N-O 3.07Å; T301-V481 PolarHBondContact OG1-O 3.13Å; T301-V481 VanDerWaalsContact OG1-O 3.14Å |
| 482 | R | 78.7 | Confident | 59.7 | Low | 93 Ų | 93 | 80.9 Ų | 80.9 | 35% | 0.351 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -75.6 | 154.4 | 179.2 | -64.7 | -179 | -64.7 | 173.4 | 4.7 | 110.6 | E284 R504 E506 | E284-R482 PolarHBondContact N-O 3.48Å; E284-R482 IonicContact OE1-NE 3.81Å; E284-R482 IonicContact OE1-NH2 3.81Å; E284-R482 IonicContact OE2-NE 2.94Å; R482-R504 VanDerWaalsContact NH2-NH2 3.12Å; R482-E506 IonicContact CZ-OE1 3.91Å; R482-E506 VanDerWaalsContact CZ-OE1 3.31Å; R482-E506 IonicContact CZ-OE2 3.75Å; R482-E506 IonicContact NH1-OE1 2.6Å; R482-E506 PolarHBondContact NH1-OE1 3.28Å; R482-E506 IonicContact NH1-OE2 3.47Å; R482-E506 VanDerWaalsContact NH2-CD 3.34Å; R482-E506 IonicContact NH2-OE1 2.86Å; R482-E506 PolarHBondContact NH2-OE1 3.33Å; R482-E506 IonicContact NH2-OE2 2.64Å; R482-E506 PolarHBondContact NH2-OE2 2.85Å; R482-E506 VanDerWaalsContact NH2-OE2 3.15Å |
| 483 | R | 78.5 | Confident | 59.5 | Low | 43 Ų | 43 | 78.1 Ų | 78.1 | 16% | 0.162 | 39% | 0.389 | C | S | . | . | B | Isolated β-bridge | trans | -65 | 138 | 173.8 | 174.8 | 171.6 | 172.8 | -177.8 | 5.4 | 111.6 | L282 N302 D304 R504 | L282-R483 WeakPolarHBondContact O-CG 3.06Å; N302-R483 WeakPolarHBondContact O-CD 2.92Å; D304-R483 VanDerWaalsContact CG-CZ 3.44Å; D304-R483 VanDerWaalsContact CG-NH2 3.3Å; D304-R483 IonicContact OD1-CZ 2.93Å; D304-R483 IonicContact OD1-NH1 3.94Å; D304-R483 PolarHBondContact OD1-NH1 2.92Å; D304-R483 IonicContact OD1-NH2 2.81Å; D304-R483 IonicContact OD2-CZ 2.71Å; D304-R483 IonicContact OD2-NH1 3.92Å; D304-R483 PolarHBondContact OD2-NH1 3.26Å; D304-R483 VanDerWaalsContact OD2-NH1 3.13Å; D304-R483 IonicContact OD2-NH2 3.51Å; D304-R483 PolarHBondContact OD2-NH2 3.35Å; R483-R504 PolarHBondContact O-NH1 2.94Å |
| 484 | Y | 71.1 | Confident | 59 | Low | 33 Ų | 33 | 76.1 Ų | 76.1 | 13% | 0.129 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | 131.8 | 170.5 | -179.1 | -104 | 0 | 0 | 0 | 109.4 | R281 L282 S486 Y508 L570 L765 | R281-Y484 HydrophobicContact CB-CD1 4.06Å; R281-Y484 HydrophobicContact CB-CE1 4.38Å; R281-Y484 HydrophobicContact CB-CG 4.43Å; R281-Y484 HydrophobicContact CG-CD1 4.46Å; R281-Y484 HydrophobicContact CG-CG 4.34Å; L282-Y484 PolarHBondContact O-N 2.99Å; Y484-S486 PolarHBondContact O-N 3.25Å; Y484-Y508 HydrophobicContact CD2-CD1 4.33Å; Y484-Y508 HydrophobicContact CD2-CE1 4.35Å; Y484-Y508 HydrophobicContact CE2-CD1 4.2Å; Y484-Y508 HydrophobicContact CE2-CG 4.31Å; Y484-L570 HydrophobicContact CD2-CD2 3.95Å; Y484-L570 HydrophobicContact CE2-CD1 3.9Å; Y484-L570 HydrophobicContact CE2-CD2 3.99Å; Y484-L765 HydrophobicContact CE1-CD2 4.42Å |
| 485 | A | 64 | Low | 58.5 | Low | 37 Ų | 37 | 75.3 Ų | 75.3 | 31% | 0.306 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 38.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | P487 L765 | A485-P487 WeakPolarHBondContact O-CD 3.26Å; A485-L765 HydrophobicContact CB-CD2 3.33Å |
| 486 | S | 57.6 | Low | 57.5 | Low | 25 Ų | 25 | 76.2 Ų | 76.2 | 18% | 0.175 | 38% | 0.379 | C | S | . | . | trans | -70.2 | 115.6 | 176.7 | -172.6 | 0 | 0 | 0 | 0 | 111.6 | Y484 Y488 | Y484-S486 PolarHBondContact O-N 3.25Å; S486-Y488 VanDerWaalsContact C-N 3.34Å | ||
| 487 | P | 49.6 | Very low | 56.7 | Low | 59 Ų | 59 | 71.4 Ų | 71.4 | 38% | 0.383 | 37% | 0.371 | S | S | . | . | trans | -82 | -13.6 | 174.5 | 33.2 | -31.9 | 0 | 0 | 0 | 112.7 | A485 F489 | A485-P487 WeakPolarHBondContact O-CD 3.26Å; P487-F489 PolarHBondContact O-N 3.39Å; P487-F489 VanDerWaalsContact O-N 3.12Å | ||
| 488 | Y | 48.7 | Very low | 55.1 | Low | 145 Ų | 145 | 73.3 Ų | 73.3 | 57% | 0.569 | 38% | 0.381 | S | S | * | . | trans | -87.9 | 80.3 | -175.9 | -56.1 | -76.3 | 0 | 0 | 0 | 109.7 | S486 | S486-Y488 VanDerWaalsContact C-N 3.34Š| ||
| 489 | F | 46.2 | Very low | 53.2 | Low | 64 Ų | 64 | 75.5 Ų | 75.5 | 28% | 0.281 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -7.3 | -169 | -150 | -89.6 | 0 | 0 | 0 | 114.7 | P487 P503 R504 | P487-F489 PolarHBondContact O-N 3.39Å; P487-F489 VanDerWaalsContact O-N 3.12Å; F489-P503 HydrophobicContact CE1-CB 4.36Å; F489-R504 HydrophobicContact CE2-CB 3.41Å; F489-R504 VanDerWaalsContact CE2-CB 3.41Å; F489-R504 VanDerWaalsContact CE2-CD 3.44Å; F489-R504 HydrophobicContact CE2-CG 3.41Å; F489-R504 VanDerWaalsContact CE2-CG 3.41Å; F489-R504 HydrophobicContact CZ-CB 3.53Å; F489-R504 HydrophobicContact CZ-CG 3.52Å |
| 490 | N | 42 | Very low | 51 | Low | 96 Ų | 96 | 77.3 Ų | 77.3 | 51% | 0.513 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.5 | 25.3 | -175.7 | -67.5 | -10.2 | 0 | 0 | 0 | 113.7 | P492 V858 I862 | N490-P492 WeakPolarHBondContact O-CD 3.24Å; N490-V858 HydrophobicContact CB-CG1 4.4Å; N490-I862 HydrophobicContact CB-CD1 4.48Å; N490-I862 WeakPolarHBondContact ND2-CD1 3.16Å |
| 491 | D | 39.8 | Very low | 49.4 | Very low | 72 Ų | 72 | 76.1 Ų | 76.1 | 39% | 0.385 | 42% | 0.421 | S | S | . | . | trans | -77.6 | 110.5 | 171.4 | -147.2 | -9 | 0 | 0 | 0 | 108.1 | T493 | D491-T493 PolarHBondContact O-N 2.9Š| ||
| 492 | P | 37.7 | Very low | 48 | Very low | 90 Ų | 90 | 83.2 Ų | 83.2 | 58% | 0.584 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | 11.7 | -173.8 | 29.2 | -35 | 0 | 0 | 0 | 113.6 | N490 I495 | N490-P492 WeakPolarHBondContact O-CD 3.24Å; P492-I495 WeakPolarHBondContact O-CG1 3.39Å |
| 493 | T | 39.1 | Very low | 47.1 | Very low | 64 Ų | 64 | 81 Ų | 81 | 39% | 0.393 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -15.7 | -171.6 | 53.2 | 0 | 0 | 0 | 0 | 114.2 | D491 I495 | D491-T493 PolarHBondContact O-N 2.9Å; T493-I495 VanDerWaalsContact C-N 3.27Å; T493-I495 PolarHBondContact O-N 3.33Å; T493-I495 VanDerWaalsContact O-N 3.09Å |
| 494 | V | 37.9 | Very low | 46.6 | Very low | 77 Ų | 77 | 80 Ų | 80 | 47% | 0.467 | 45% | 0.448 | S | S | . | . | trans | -88.6 | 71.7 | 171.4 | -169.6 | 0 | 0 | 0 | 0 | 109.7 | N302 N496 | N302-V494 WeakPolarHBondContact ND2-CG2 3.4Å; V494-N496 PolarHBondContact O-N 3.33Å | ||
| 495 | I | 37.2 | Very low | 46.8 | Very low | 90 Ų | 90 | 80.3 Ų | 80.3 | 46% | 0.462 | 45% | 0.449 | S | S | . | . | trans | -77.3 | 104.5 | 175 | -61.7 | 171.3 | 0 | 0 | 0 | 107.8 | P492 T493 | P492-I495 WeakPolarHBondContact O-CG1 3.39Å; T493-I495 VanDerWaalsContact C-N 3.27Å; T493-I495 PolarHBondContact O-N 3.33Å; T493-I495 VanDerWaalsContact O-N 3.09Å | ||
| 496 | N | 36.7 | Very low | 47.6 | Very low | 99 Ų | 99 | 79.3 Ų | 79.3 | 53% | 0.529 | 44% | 0.437 | S | S | . | . | trans | -63.3 | 154 | 154.4 | -99 | -16.4 | 0 | 0 | 0 | 108.2 | V494 N498 G499 | V494-N496 PolarHBondContact O-N 3.33Å; N496-N498 CarbonylContact O-C 3.49Å; N496-N498 PolarHBondContact O-N 3.02Å; N496-G499 PolarHBondContact O-N 3.45Å | ||
| 497 | N | 42 | Very low | 48.8 | Very low | 129 Ų | 129 | 78.1 Ų | 78.1 | 69% | 0.69 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.3 | -12.3 | -173.3 | -70.2 | -20.4 | 0 | 0 | 0 | 117 | ||
| 498 | N | 35.4 | Very low | 50.5 | Low | 152 Ų | 152 | 75.4 Ų | 75.4 | 81% | 0.813 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.8 | 15.7 | 176.9 | -64.1 | 5.7 | 0 | 0 | 0 | 115 | N496 V500 | N496-N498 CarbonylContact O-C 3.49Å; N496-N498 PolarHBondContact O-N 3.02Å; N498-V500 VanDerWaalsContact C-N 3.33Å; N498-V500 PolarHBondContact O-N 2.96Å |
| 499 | G | 35.8 | Very low | 52.3 | Low | 56 Ų | 56 | 68.5 Ų | 68.5 | 58% | 0.577 | 38% | 0.384 | S | S | * | . | S | Bend | trans | 77.7 | 3.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | N496 | N496-G499 PolarHBondContact O-N 3.45Š|
| 500 | V | 35.5 | Very low | 54.3 | Low | 100 Ų | 100 | 65.7 Ų | 65.7 | 61% | 0.606 | 37% | 0.373 | S | S | * | . | trans | -107.7 | 113.4 | -178.6 | -174.3 | 0 | 0 | 0 | 0 | 110.5 | N498 Q502 | N498-V500 VanDerWaalsContact C-N 3.33Å; N498-V500 PolarHBondContact O-N 2.96Å; V500-Q502 PolarHBondContact O-N 3.05Å | ||
| 501 | T | 44.6 | Very low | 56.6 | Low | 72 Ų | 72 | 61.1 Ų | 61.1 | 44% | 0.442 | 35% | 0.348 | S | S | . | . | trans | -67.5 | 112.3 | 169.1 | 50.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 502 | Q | 49.9 | Very low | 58.7 | Low | 151 Ų | 151 | 58.5 Ų | 58.5 | 71% | 0.706 | 33% | 0.334 | S | S | * | . | P | Polyproline II helix | trans | -74.4 | 133.3 | 175.2 | -80.3 | -176.6 | -7.2 | 0 | 0 | 110.9 | V500 | V500-Q502 PolarHBondContact O-N 3.05Š|
| 503 | P | 60.3 | Low | 61.1 | Low | 48 Ų | 48 | 55.7 Ų | 55.7 | 31% | 0.312 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 135.4 | 173.7 | 24.9 | -31.5 | 0 | 0 | 0 | 112.1 | F489 S769 Y770 | F489-P503 HydrophobicContact CE1-CB 4.36Å; P503-S769 WeakPolarHBondContact CB-OG 3.33Å; P503-Y770 HydrophobicContact CB-CD2 4.42Å; P503-Y770 HydrophobicContact CB-CE2 3.53Å; P503-Y770 HydrophobicContact CG-CE2 3.8Å |
| 504 | R | 67 | Low | 63.5 | Low | 21 Ų | 21 | 52.9 Ų | 52.9 | 8% | 0.079 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -79.5 | 138 | 173.9 | -73.2 | 179.1 | 97.4 | 159.3 | 20.2 | 108.9 | E284 R482 R483 F489 E506 Y508 S768 S769 | E284-R504 IonicContact OE1-CZ 3.74Å; E284-R504 IonicContact OE1-NH2 3.31Å; E284-R504 PolarHBondContact OE1-NH2 2.58Å; R482-R504 VanDerWaalsContact NH2-NH2 3.12Å; R483-R504 PolarHBondContact O-NH1 2.94Å; F489-R504 HydrophobicContact CE2-CB 3.41Å; F489-R504 VanDerWaalsContact CE2-CB 3.41Å; F489-R504 VanDerWaalsContact CE2-CD 3.44Å; F489-R504 HydrophobicContact CE2-CG 3.41Å; F489-R504 VanDerWaalsContact CE2-CG 3.41Å; F489-R504 HydrophobicContact CZ-CB 3.53Å; F489-R504 HydrophobicContact CZ-CG 3.52Å; R504-E506 IonicContact CZ-OE2 2.69Å; R504-E506 IonicContact NE-OE1 3.56Å; R504-E506 IonicContact NE-OE2 3.42Å; R504-E506 PolarHBondContact NE-OE2 3.34Å; R504-E506 IonicContact NH2-OE2 3.59Å; R504-E506 PolarHBondContact NH2-OE2 3.13Å; R504-Y508 PolarHBondContact NH1-OH 3.16Å; R504-Y508 PolarHBondContact NH2-OH 3.47Å; R504-S768 WeakPolarHBondContact O-CA 2.94Å; R504-S769 PolarHBondContact O-N 3.08Å |
| 505 | R | 75 | Confident | 65.9 | Low | 40 Ų | 40 | 51.7 Ų | 51.7 | 15% | 0.151 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 65.8 | 174.6 | -58.2 | -173.7 | -160.8 | 149.1 | 8.4 | 107.2 | N574 L575 Y577 E581 | R505-N574 CarbonylContact O-C 3.42Å; R505-N574 WeakPolarHBondContact O-CA 3.44Å; R505-L575 HydrophobicContact CB-CB 4.19Å; R505-L575 WeakPolarHBondContact CB-O 3.43Å; R505-L575 PolarHBondContact O-N 3.21Å; R505-Y577 VanDerWaalsContact CZ-CD1 3.42Å; R505-Y577 VanDerWaalsContact NH2-CD1 3.34Å; R505-E581 IonicContact CZ-OE1 3.05Å; R505-E581 IonicContact CZ-OE2 2.75Å; R505-E581 VanDerWaalsContact CZ-OE2 3.23Å; R505-E581 IonicContact NE-OE1 3.53Å; R505-E581 PolarHBondContact NE-OE1 2.86Å; R505-E581 IonicContact NE-OE2 3.1Å; R505-E581 PolarHBondContact NE-OE2 2.9Å; R505-E581 IonicContact NH1-OE2 2.76Å; R505-E581 IonicContact NH2-OE1 3.75Å; R505-E581 PolarHBondContact NH2-OE1 2.93Å; R505-E581 IonicContact NH2-OE2 4Å; R505-E581 PolarHBondContact NH2-OE2 3.32Å |
| 506 | E | 81.1 | Confident | 68.3 | Low | 15 Ų | 15 | 47.7 Ų | 47.7 | 7% | 0.07 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 131.4 | -167.6 | -69.5 | 170.2 | -166.5 | 0 | 0 | 109.5 | R482 R504 I572 I573 C767 | R482-E506 IonicContact CZ-OE1 3.91Å; R482-E506 VanDerWaalsContact CZ-OE1 3.31Å; R482-E506 IonicContact CZ-OE2 3.75Å; R482-E506 IonicContact NH1-OE1 2.6Å; R482-E506 PolarHBondContact NH1-OE1 3.28Å; R482-E506 IonicContact NH1-OE2 3.47Å; R482-E506 VanDerWaalsContact NH2-CD 3.34Å; R482-E506 IonicContact NH2-OE1 2.86Å; R482-E506 PolarHBondContact NH2-OE1 3.33Å; R482-E506 IonicContact NH2-OE2 2.64Å; R482-E506 PolarHBondContact NH2-OE2 2.85Å; R482-E506 VanDerWaalsContact NH2-OE2 3.15Å; R504-E506 IonicContact CZ-OE2 2.69Å; R504-E506 IonicContact NE-OE1 3.56Å; R504-E506 IonicContact NE-OE2 3.42Å; R504-E506 PolarHBondContact NE-OE2 3.34Å; R504-E506 IonicContact NH2-OE2 3.59Å; R504-E506 PolarHBondContact NH2-OE2 3.13Å; E506-I572 HydrophobicContact CB-CG2 3.83Å; E506-I572 HydrophobicContact CG-CG2 3.88Å; E506-I573 CarbonylContact C-O 3.37Å; E506-I573 WeakPolarHBondContact CA-O 3.41Å; E506-C767 PolarHBondContact N-O 3.46Å; E506-C767 CarbonylContact O-C 3.55Å; E506-C767 WeakPolarHBondContact O-CA 3.44Å; E506-C767 PolarHBondContact O-N 3.02Å |
| 507 | L | 83.8 | Confident | 70.4 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 116 | 167.8 | 168.7 | 65.7 | 0 | 0 | 0 | 107.9 | V509 I573 L575 L663 L673 V766 | L507-V509 HydrophobicContact CD1-CG2 4.49Å; L507-V509 HydrophobicContact CD2-CG2 4.16Å; L507-V509 HydrophobicContact CG-CG2 3.9Å; L507-I573 HydrophobicContact CB-CB 4.25Å; L507-I573 HydrophobicContact CD2-CD1 4.04Å; L507-I573 HydrophobicContact CG-CD1 4.41Å; L507-I573 PolarHBondContact N-O 3.47Å; L507-I573 PolarHBondContact O-N 2.9Å; L507-L575 HydrophobicContact CB-CD1 4.27Å; L507-L575 HydrophobicContact CB-CD2 4.08Å; L507-L575 HydrophobicContact CB-CG 4.23Å; L507-L663 HydrophobicContact CD2-CD2 3.57Å; L507-L673 HydrophobicContact CD2-CD2 4.21Å; L507-V766 HydrophobicContact CD1-CG2 3.8Å |
| 508 | Y | 85.7 | Confident | 71.8 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 0% | 0.004 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 134.7 | 170.5 | -68.7 | -86.7 | 0 | 0 | 0 | 109.6 | E284 Y484 R504 L570 I572 T764 L765 C767 | E284-Y508 HydrophobicContact CG-CE1 4.09Å; E284-Y508 PolarHBondContact OE1-OH 3.33Å; Y484-Y508 HydrophobicContact CD2-CD1 4.33Å; Y484-Y508 HydrophobicContact CD2-CE1 4.35Å; Y484-Y508 HydrophobicContact CE2-CD1 4.2Å; Y484-Y508 HydrophobicContact CE2-CG 4.31Å; R504-Y508 PolarHBondContact NH1-OH 3.16Å; R504-Y508 PolarHBondContact NH2-OH 3.47Å; Y508-L570 HydrophobicContact CD1-CD1 3.9Å; Y508-L570 HydrophobicContact CD1-CD2 4.14Å; Y508-L570 HydrophobicContact CD1-CG 4.25Å; Y508-L570 HydrophobicContact CE1-CD2 4.43Å; Y508-L570 HydrophobicContact CG-CD1 4.47Å; Y508-I572 HydrophobicContact CD1-CD1 4.2Å; Y508-I572 HydrophobicContact CD1-CG1 3.73Å; Y508-I572 HydrophobicContact CE1-CD1 3.6Å; Y508-I572 HydrophobicContact CE1-CG1 3.67Å; Y508-T764 WeakPolarHBondContact O-CA 3.28Å; Y508-L765 HydrophobicContact CD2-CD2 4.39Å; Y508-L765 PolarHBondContact N-O 2.93Å; Y508-L765 PolarHBondContact O-N 3.39Å; Y508-C767 HydrophobicContact CD2-CB 3.93Å; Y508-C767 HydrophobicContact CE2-CB 3.59Å |
| 509 | V | 86.5 | Confident | 73.4 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 124.6 | 173.5 | -174.2 | 0 | 0 | 0 | 0 | 108.3 | L507 F571 I573 L637 I762 Q763 T764 | L507-V509 HydrophobicContact CD1-CG2 4.49Å; L507-V509 HydrophobicContact CD2-CG2 4.16Å; L507-V509 HydrophobicContact CG-CG2 3.9Å; V509-F571 HydrophobicContact CB-CD2 3.86Å; V509-F571 HydrophobicContact CB-CE1 4.08Å; V509-F571 HydrophobicContact CB-CE2 3.34Å; V509-F571 HydrophobicContact CB-CG 4.46Å; V509-F571 HydrophobicContact CB-CZ 3.46Å; V509-F571 VanDerWaalsContact CB-CZ 3.46Å; V509-F571 HydrophobicContact CG1-CE1 3.92Å; V509-F571 HydrophobicContact CG1-CE2 3.58Å; V509-F571 HydrophobicContact CG1-CZ 3.2Å; V509-F571 HydrophobicContact CG2-CD2 4.49Å; V509-F571 HydrophobicContact CG2-CE2 3.97Å; V509-F571 HydrophobicContact CG2-CZ 4.46Å; V509-F571 PolarHBondContact N-O 3.14Å; V509-F571 VanDerWaalsContact O-CD1 3.22Å; V509-F571 WeakPolarHBondContact O-CD1 3.42Å; V509-F571 WeakPolarHBondContact O-CE1 3.08Å; V509-F571 PolarHBondContact O-N 3.04Å; V509-I573 HydrophobicContact CG2-CD1 3.66Å; V509-L637 HydrophobicContact CG2-CD1 4.07Å; V509-I762 HydrophobicContact CG1-CB 4.49Å; V509-I762 HydrophobicContact CG1-CD1 4.49Å; V509-Q763 CarbonylContact C-O 3.55Å; V509-Q763 WeakPolarHBondContact CA-O 3.09Å; V509-T764 HydrophobicContact CG1-CG2 4.27Å; V509-T764 HydrophobicContact CG2-CG2 4.21Å |
| 510 | T | 87.3 | Confident | 75 | Confident | 6 Ų | 6 | 44.7 Ų | 44.7 | 4% | 0.037 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 115.6 | 175.3 | -52.3 | 0 | 0 | 0 | 0 | 108.9 | I512 E569 L570 I762 Q763 | T510-I512 HydrophobicContact CG2-CG1 4.11Å; T510-I512 PolarHBondContact O-N 3.25Å; T510-E569 CarbonylContact C-O 3.49Å; T510-E569 VanDerWaalsContact CA-O 3.28Å; T510-E569 WeakPolarHBondContact CA-O 3.28Å; T510-L570 WeakPolarHBondContact OG1-CD1 3.49Å; T510-I762 CarbonylContact O-C 3.49Å; T510-I762 VanDerWaalsContact O-CA 3.31Å; T510-I762 WeakPolarHBondContact O-CA 3.26Å; T510-Q763 PolarHBondContact N-O 3.14Å; T510-Q763 PolarHBondContact O-N 3.11Å |
| 511 | L | 89.2 | Confident | 76.3 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 104.7 | 169.9 | 175.8 | 63.9 | 0 | 0 | 0 | 108.7 | V529 W567 S568 E569 F571 L760 I762 | L511-V529 HydrophobicContact CD2-CB 4.04Å; L511-V529 HydrophobicContact CD2-CG1 4.25Å; L511-V529 HydrophobicContact CD2-CG2 4.38Å; L511-W567 HydrophobicContact CD1-CE3 3.92Å; L511-W567 HydrophobicContact CD1-CZ3 4.08Å; L511-W567 HydrophobicContact CD2-CB 4.28Å; L511-W567 HydrophobicContact CD2-CD2 3.86Å; L511-W567 HydrophobicContact CD2-CE3 3.87Å; L511-W567 HydrophobicContact CD2-CG 4.05Å; L511-W567 HydrophobicContact CD2-CZ3 4.4Å; L511-W567 HydrophobicContact CG-CB 4.16Å; L511-W567 HydrophobicContact CG-CD2 4.06Å; L511-W567 HydrophobicContact CG-CE3 3.66Å; L511-W567 HydrophobicContact CG-CG 4.3Å; L511-W567 HydrophobicContact CG-CZ3 4.29Å; L511-W567 WeakPolarHBondContact O-CB 3.23Å; L511-S568 CarbonylContact O-C 3.44Å; L511-S568 VanDerWaalsContact O-CA 3.24Å; L511-S568 WeakPolarHBondContact O-CA 3.44Å; L511-S568 PolarHBondContact O-N 3.48Å; L511-E569 PolarHBondContact N-O 3.43Å; L511-E569 PolarHBondContact O-N 3.26Å; L511-F571 HydrophobicContact CB-CE1 3.98Å; L511-L760 HydrophobicContact CD1-CD1 4.06Å; L511-L760 HydrophobicContact CD1-CD2 3.88Å; L511-L760 HydrophobicContact CD1-CG 3.96Å; L511-I762 HydrophobicContact CD1-CG2 3.87Å |
| 512 | I | 85.6 | Confident | 77.6 | Confident | 16 Ų | 16 | 46.4 Ų | 46.4 | 8% | 0.082 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | -60.6 | -172.4 | -62.4 | 173.5 | 0 | 0 | 0 | 110.7 | T510 Y566 W567 S568 H761 Q763 | T510-I512 HydrophobicContact CG2-CG1 4.11Å; T510-I512 PolarHBondContact O-N 3.25Å; I512-Y566 HydrophobicContact CG2-CD2 4.24Å; I512-Y566 HydrophobicContact CG2-CE2 3.5Å; I512-Y566 VanDerWaalsContact CG2-CE2 3.5Å; I512-Y566 CarbonylContact O-C 3.6Å; I512-Y566 WeakPolarHBondContact O-CA 3.33Å; I512-W567 PolarHBondContact O-N 3.15Å; I512-S568 PolarHBondContact O-N 3.46Å; I512-H761 HydrophobicContact CB-CB 4.44Å; I512-H761 PolarHBondContact N-O 2.88Å; I512-Q763 HydrophobicContact CD1-CB 3.67Å; I512-Q763 HydrophobicContact CG1-CB 4.42Å |
| 513 | S | 87.8 | Confident | 78.9 | Confident | 31 Ų | 31 | 46.6 Ų | 46.6 | 22% | 0.217 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 171.1 | -174.4 | 61.3 | 0 | 0 | 0 | 0 | 113 | P565 W567 H761 | S513-P565 CarbonylContact C-O 3.56Å; S513-P565 WeakPolarHBondContact CA-O 3.48Å; S513-P565 WeakPolarHBondContact CB-O 3.4Å; S513-W567 VanDerWaalsContact C-CZ3 3.41Å; S513-H761 PolarHBondContact N-O 2.76Å; S513-H761 PolarHBondContact O-N 2.55Å; S513-H761 WeakPolarHBondContact OG-CB 3.4Å |
| 514 | G | 89.1 | Confident | 79.9 | Confident | 5 Ų | 5 | 47.8 Ų | 47.8 | 5% | 0.052 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 153.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q564 P565 W567 T759 | G514-Q564 CarbonylContact O-C 3.6Å; G514-Q564 WeakPolarHBondContact O-CA 3.43Å; G514-P565 PolarHBondContact N-O 3.14Å; G514-P565 VanDerWaalsContact O-CD 3.3Å; G514-P565 WeakPolarHBondContact O-CD 3.03Å; G514-W567 VanDerWaalsContact N-CZ3 3.34Å; G514-T759 CarbonylContact C-O 3.6Å; G514-T759 WeakPolarHBondContact CA-O 3.47Å |
| 515 | N | 88.6 | Confident | 80.6 | Confident | 53 Ų | 53 | 47.5 Ų | 47.5 | 28% | 0.283 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 110.3 | -179.8 | -173.6 | 7.4 | 0 | 0 | 0 | 109.2 | Q564 D758 T759 | N515-Q564 WeakPolarHBondContact OD1-CG 3.12Å; N515-Q564 PolarHBondContact OD1-NE2 3.22Å; N515-D758 CarbonylContact O-C 3.51Å; N515-D758 VanDerWaalsContact O-CA 3.23Å; N515-D758 WeakPolarHBondContact O-CA 3.5Å; N515-T759 PolarHBondContact N-O 2.92Å; N515-T759 PolarHBondContact O-N 2.84Å; N515-T759 VanDerWaalsContact O-N 3.07Å |
| 516 | F | 87.4 | Confident | 81.2 | Confident | 6 Ų | 6 | 45.7 Ų | 45.7 | 3% | 0.026 | 25% | 0.248 | C | C | . | . | trans | -117.1 | 124.4 | -174.1 | -59.9 | -94.5 | 0 | 0 | 0 | 110.8 | V527 N563 P565 W567 C641 L656 I682 L760 | F516-V527 HydrophobicContact CD2-CG1 4.21Å; F516-V527 HydrophobicContact CD2-CG2 3.96Å; F516-V527 HydrophobicContact CE1-CG1 4.05Å; F516-V527 HydrophobicContact CE2-CB 4.41Å; F516-V527 HydrophobicContact CE2-CG1 3.67Å; F516-V527 HydrophobicContact CE2-CG2 4.26Å; F516-V527 HydrophobicContact CG-CG2 4.17Å; F516-V527 HydrophobicContact CZ-CG1 3.58Å; F516-N563 WeakPolarHBondContact CB-O 3.46Å; F516-N563 WeakPolarHBondContact CD2-O 3.35Å; F516-N563 PolarHBondContact N-O 3.47Å; F516-N563 VanDerWaalsContact O-CB 3.26Å; F516-N563 WeakPolarHBondContact O-CB 3.43Å; F516-N563 PolarHBondContact O-ND2 3.2Å; F516-P565 HydrophobicContact CD2-CG 4.21Å; F516-P565 HydrophobicContact CE2-CG 3.91Å; F516-W567 AromaticContact CE2-CH2 3.94Å; F516-W567 HydrophobicContact CE2-CH2 3.94Å; F516-W567 HydrophobicContact CZ-CH2 4.31Å; F516-C641 HydrophobicContact CE1-CB 3.65Å; F516-C641 HydrophobicContact CZ-CB 4.1Å; F516-L656 HydrophobicContact CD1-CD1 4.17Å; F516-L656 HydrophobicContact CE1-CD1 4.46Å; F516-I682 HydrophobicContact CD1-CD1 4.05Å; F516-I682 HydrophobicContact CE1-CD1 3.39Å; F516-I682 HydrophobicContact CE2-CD1 4.44Å; F516-I682 HydrophobicContact CZ-CD1 3.61Å; F516-L760 HydrophobicContact CZ-CD1 4.25Å | ||
| 517 | S | 81.6 | Confident | 81.6 | Confident | 49 Ų | 49 | 45.1 Ų | 45.1 | 34% | 0.343 | 25% | 0.245 | S | C | . | . | trans | -64.7 | 134.5 | 175.6 | 52.9 | 0 | 0 | 0 | 0 | 111.4 | G519 K684 D758 | S517-G519 PolarHBondContact O-N 3.11Å; S517-K684 PolarHBondContact OG-NZ 3.06Å; S517-D758 WeakPolarHBondContact CA-OD1 3.3Å; S517-D758 WeakPolarHBondContact CB-OD1 3.34Å; S517-D758 PolarHBondContact N-OD1 2.92Å; S517-D758 PolarHBondContact OG-OD1 2.67Å; S517-D758 PolarHBondContact OG-OD2 2.97Å | ||
| 518 | K | 70.2 | Confident | 81.9 | Confident | 86 Ų | 86 | 45.3 Ų | 45.3 | 37% | 0.374 | 25% | 0.246 | S | C | . | . | trans | -67.2 | -22.4 | -179.8 | -165.6 | 172.1 | 174.8 | 175.8 | 0 | 113.6 | K521 T522 E524 N563 | K518-K521 WeakPolarHBondContact CE-O 3.26Å; K518-K521 PolarHBondContact O-N 3.25Å; K518-T522 WeakPolarHBondContact CE-O 3.48Å; K518-T522 PolarHBondContact NZ-O 3.21Å; K518-E524 HydrophobicContact CD-CG 4.21Å; K518-N563 VanDerWaalsContact CA-ND2 3.25Å; K518-N563 WeakPolarHBondContact CA-ND2 3.36Å; K518-N563 VanDerWaalsContact CB-ND2 3.27Å; K518-N563 WeakPolarHBondContact CB-ND2 3.3Å; K518-N563 PolarHBondContact N-ND2 3.44Å | ||
| 519 | G | 69.7 | Low | 82.3 | Confident | 61 Ų | 61 | 45.2 Ų | 45.2 | 63% | 0.629 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | -143.2 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112 | S517 K521 | S517-G519 PolarHBondContact O-N 3.11Å; G519-K521 VanDerWaalsContact C-N 3.34Å; G519-K521 PolarHBondContact O-N 3.38Å |
| 520 | N | 68.3 | Low | 82.4 | Confident | 176 Ų | 176 | 46.4 Ų | 46.4 | 94% | 0.941 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | 9.2 | -179.1 | -66.9 | -6.1 | 0 | 0 | 0 | 114.5 | ||
| 521 | K | 64.6 | Low | 82.5 | Confident | 81 Ų | 81 | 46.4 Ų | 46.4 | 35% | 0.352 | 25% | 0.251 | S | S | . | . | trans | -81.5 | 142.9 | -178.8 | -69.1 | -167.4 | 179.1 | -171.5 | 0 | 111.4 | K518 G519 R523 | K518-K521 WeakPolarHBondContact CE-O 3.26Å; K518-K521 PolarHBondContact O-N 3.25Å; G519-K521 VanDerWaalsContact C-N 3.34Å; G519-K521 PolarHBondContact O-N 3.38Å; K521-R523 WeakPolarHBondContact CB-O 3.17Å | ||
| 522 | T | 71.2 | Confident | 82.4 | Confident | 128 Ų | 128 | 46.6 Ų | 46.6 | 79% | 0.785 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -69.1 | -34.2 | 175.3 | 51.8 | 0 | 0 | 0 | 0 | 112.5 | K518 | K518-T522 WeakPolarHBondContact CE-O 3.48Å; K518-T522 PolarHBondContact NZ-O 3.21Å |
| 523 | R | 76.2 | Confident | 82.5 | Confident | 155 Ų | 155 | 46.5 Ų | 46.5 | 59% | 0.585 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -111.3 | 150.6 | 179.6 | -56.3 | -171.3 | -175.4 | -178.4 | 0.9 | 111.7 | K521 H561 | K521-R523 WeakPolarHBondContact CB-O 3.17Å; R523-H561 WeakPolarHBondContact CD-NE2 3.27Å |
| 524 | E | 81.8 | Confident | 82.4 | Confident | 73 Ų | 73 | 45 Ų | 45 | 34% | 0.341 | 24% | 0.242 | S | C | . | . | trans | -70.7 | 161.9 | 177.5 | -64.1 | -172.8 | -165.9 | 0 | 0 | 112.2 | K518 H561 K562 N563 | K518-E524 HydrophobicContact CD-CG 4.21Å; E524-H561 VanDerWaalsContact CB-C 3.48Å; E524-H561 HydrophobicContact CB-CB 4.21Å; E524-H561 WeakPolarHBondContact CB-O 3.05Å; E524-H561 PolarHBondContact O-ND1 3.27Å; E524-H561 VanDerWaalsContact OE2-O 3.14Å; E524-K562 WeakPolarHBondContact OE2-CA 3.34Å; E524-N563 HydrophobicContact CB-CB 4.36Å; E524-N563 HydrophobicContact CG-CB 4.34Å; E524-N563 PolarHBondContact OE2-N 2.85Å | ||
| 525 | H | 82.9 | Confident | 82.1 | Confident | 15 Ų | 15 | 46.3 Ų | 46.3 | 7% | 0.069 | 25% | 0.248 | C | C | . | . | trans | -78.3 | 139.9 | -178.8 | -65 | -73.8 | 0 | 0 | 0 | 111.6 | V527 K562 N563 H643 L656 | H525-V527 HydrophobicContact CB-CG2 3.82Å; H525-K562 CarbonylContact O-C 3.54Å; H525-K562 PolarHBondContact O-N 3.32Å; H525-K562 VanDerWaalsContact O-O 3.09Å; H525-N563 WeakPolarHBondContact CB-OD1 3.24Å; H525-N563 PolarHBondContact CD2-OD1 3.27Å; H525-N563 VanDerWaalsContact CD2-OD1 3.29Å; H525-N563 PolarHBondContact N-OD1 2.87Å; H525-H643 AromaticContact ND1-CG 3.61Å; H525-H643 AromaticContact ND1-ND1 3.61Å; H525-L656 HydrophobicContact CB-CD1 4.18Å | ||
| 526 | N | 87.1 | Confident | 81.6 | Confident | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.011 | 26% | 0.256 | C | S | . | . | trans | -84.8 | 103.3 | 159 | -45.5 | -54.1 | 0 | 0 | 0 | 107.2 | M325 V558 Y559 Y560 H561 H643 R644 | M325-N526 HydrophobicContact CE-CB 3.75Å; M325-N526 WeakPolarHBondContact CE-ND2 3.41Å; M325-N526 HydrophobicContact SD-CB 3.98Å; N526-V558 HydrophobicContact CB-CG1 3.77Å; N526-Y559 WeakPolarHBondContact CA-O 3.48Å; N526-Y560 WeakPolarHBondContact OD1-CA 3.49Å; N526-H561 PolarHBondContact OD1-N 2.65Å; N526-H643 PolarHBondContact N-CE1 2.59Å; N526-H643 PolarHBondContact N-ND1 2.92Å; N526-H643 VanDerWaalsContact N-ND1 3.12Å; N526-H643 CarbonylContact O-C 3.6Å; N526-H643 VanDerWaalsContact O-CA 3.28Å; N526-H643 WeakPolarHBondContact O-CA 3.4Å; N526-H643 PolarHBondContact O-ND1 3.17Å; N526-R644 HydrophobicContact CB-CB 4.47Å; N526-R644 WeakPolarHBondContact CB-O 3.01Å; N526-R644 PolarHBondContact ND2-O 2.99Å; N526-R644 PolarHBondContact O-N 3.41Å | ||
| 527 | V | 89.3 | Confident | 81.3 | Confident | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.012 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 128.2 | -171.3 | -175.6 | 0 | 0 | 0 | 0 | 110.5 | F516 H525 V529 P565 W567 R642 L656 | F516-V527 HydrophobicContact CD2-CG1 4.21Å; F516-V527 HydrophobicContact CD2-CG2 3.96Å; F516-V527 HydrophobicContact CE1-CG1 4.05Å; F516-V527 HydrophobicContact CE2-CB 4.41Å; F516-V527 HydrophobicContact CE2-CG1 3.67Å; F516-V527 HydrophobicContact CE2-CG2 4.26Å; F516-V527 HydrophobicContact CG-CG2 4.17Å; F516-V527 HydrophobicContact CZ-CG1 3.58Å; H525-V527 HydrophobicContact CB-CG2 3.82Å; V527-V529 HydrophobicContact CG1-CG2 4.4Å; V527-P565 HydrophobicContact CB-CG 4.3Å; V527-W567 HydrophobicContact CB-CZ2 4.47Å; V527-W567 HydrophobicContact CG1-CH2 4.26Å; V527-W567 HydrophobicContact CG1-CZ2 4.06Å; V527-R642 WeakPolarHBondContact CA-O 3.47Å; V527-L656 HydrophobicContact CG1-CD1 4.24Å; V527-L656 HydrophobicContact CG2-CD1 3.89Å |
| 528 | E | 90.6 | Very high | 81.1 | Confident | 5 Ų | 5 | 50.5 Ų | 50.5 | 2% | 0.023 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 136.1 | 165.9 | -171.3 | -174.6 | -124.7 | 0 | 0 | 108.4 | V558 C641 R642 R644 | E528-V558 HydrophobicContact CB-CG2 3.58Å; E528-V558 HydrophobicContact CG-CG2 3.83Å; E528-C641 CarbonylContact O-C 3.6Å; E528-C641 WeakPolarHBondContact O-CA 3.5Å; E528-R642 PolarHBondContact N-O 3.27Å; E528-R642 PolarHBondContact O-N 2.84Å; E528-R644 HydrophobicContact CB-CG 4.01Å; E528-R644 IonicContact OE1-NE 3.61Å; E528-R644 IonicContact OE1-NH2 3.19Å; E528-R644 IonicContact OE2-CZ 3.23Å; E528-R644 IonicContact OE2-NE 3.44Å; E528-R644 PolarHBondContact OE2-NE 3.23Å; E528-R644 IonicContact OE2-NH2 3.24Å; E528-R644 PolarHBondContact OE2-NH2 2.85Å |
| 529 | V | 92.4 | Very high | 81.6 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 123.3 | 173.8 | -176.9 | 0 | 0 | 0 | 0 | 108 | L511 V527 V531 K555 S556 W567 L639 L760 | L511-V529 HydrophobicContact CD2-CB 4.04Å; L511-V529 HydrophobicContact CD2-CG1 4.25Å; L511-V529 HydrophobicContact CD2-CG2 4.38Å; V527-V529 HydrophobicContact CG1-CG2 4.4Å; V529-V531 HydrophobicContact CG1-CG2 3.93Å; V529-K555 WeakPolarHBondContact O-CA 3.22Å; V529-S556 PolarHBondContact N-OG 2.84Å; V529-S556 PolarHBondContact O-N 3.42Å; V529-W567 HydrophobicContact CG2-CH2 3.35Å; V529-W567 HydrophobicContact CG2-CZ2 3.51Å; V529-W567 HydrophobicContact CG2-CZ3 4.09Å; V529-L639 HydrophobicContact CG1-CB 4.11Å; V529-L639 HydrophobicContact CG1-CD2 4.45Å; V529-L760 HydrophobicContact CG2-CD1 4.14Å |
| 530 | E | 90.4 | Very high | 82 | Confident | 24 Ų | 24 | 52.3 Ų | 52.3 | 11% | 0.112 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 120.8 | 171.9 | -171.9 | -176.8 | 131.6 | 0 | 0 | 109 | N532 V553 H554 K555 L639 L640 R642 | E530-N532 PolarHBondContact OE1-ND2 3.43Å; E530-V553 HydrophobicContact CG-CG1 3.34Å; E530-H554 CarbonylContact C-O 3.58Å; E530-H554 WeakPolarHBondContact CA-O 3.16Å; E530-K555 HydrophobicContact CG-CG 4.36Å; E530-L639 CarbonylContact O-C 3.57Å; E530-L639 WeakPolarHBondContact O-CA 3.35Å; E530-L640 HydrophobicContact CB-CB 4.35Å; E530-L640 PolarHBondContact N-O 2.96Å; E530-L640 PolarHBondContact O-N 3.04Å; E530-R642 IonicContact OE2-CZ 3.63Å; E530-R642 IonicContact OE2-NH1 3.48Å; E530-R642 PolarHBondContact OE2-NH1 3.44Å; E530-R642 IonicContact OE2-NH2 2.65Å |
| 531 | V | 89.3 | Confident | 82.2 | Confident | 7 Ų | 7 | 46.8 Ų | 46.8 | 4% | 0.042 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 119.6 | -177.8 | -173.2 | 0 | 0 | 0 | 0 | 110.4 | V529 H554 F571 L637 R638 L639 | V529-V531 HydrophobicContact CG1-CG2 3.93Å; V531-H554 HydrophobicContact CB-CB 4.3Å; V531-H554 PolarHBondContact N-O 3.44Å; V531-H554 PolarHBondContact O-N 3.49Å; V531-F571 HydrophobicContact CB-CE2 4.4Å; V531-F571 HydrophobicContact CB-CZ 4.3Å; V531-F571 HydrophobicContact CG1-CE2 3.63Å; V531-F571 HydrophobicContact CG1-CZ 3.75Å; V531-F571 HydrophobicContact CG2-CZ 4.17Å; V531-L637 HydrophobicContact CG1-CD2 3.78Å; V531-R638 WeakPolarHBondContact CA-O 3.46Å; V531-L639 HydrophobicContact CG1-CD2 4.35Å; V531-L639 HydrophobicContact CG1-CG 4.23Å; V531-L639 HydrophobicContact CG2-CD2 3.82Å; V531-L639 HydrophobicContact CG2-CG 4.11Å |
| 532 | N | 86.7 | Confident | 82.3 | Confident | 3 Ų | 3 | 47.5 Ų | 47.5 | 2% | 0.016 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 150.9 | -178.2 | -53.2 | -11.1 | 0 | 0 | 0 | 110.5 | E530 V534 L540 V553 R638 | E530-N532 PolarHBondContact OE1-ND2 3.43Å; N532-V534 HydrophobicContact CB-CG2 4.33Å; N532-L540 HydrophobicContact CB-CD2 3.47Å; N532-L540 VanDerWaalsContact CB-CD2 3.47Å; N532-V553 WeakPolarHBondContact OD1-CA 3.48Å; N532-V553 WeakPolarHBondContact OD1-CB 3.26Å; N532-V553 VanDerWaalsContact OD1-CG1 3.26Å; N532-V553 WeakPolarHBondContact OD1-CG1 3.33Å; N532-V553 WeakPolarHBondContact OD1-CG2 3.44Å; N532-R638 PolarHBondContact N-O 3.48Å; N532-R638 PolarHBondContact O-N 2.89Å |
| 533 | V | 87.3 | Confident | 81.8 | Confident | 15 Ų | 15 | 43.5 Ų | 43.5 | 9% | 0.091 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 129.6 | 170.9 | -173.9 | 0 | 0 | 0 | 0 | 109.4 | L541 L543 I573 V635 L637 L663 | V533-L541 HydrophobicContact CG1-CB 4.28Å; V533-L541 HydrophobicContact CG1-CD1 4.31Å; V533-L541 PolarHBondContact O-N 3.47Å; V533-L543 HydrophobicContact CB-CD1 4.18Å; V533-L543 HydrophobicContact CG1-CD1 3.77Å; V533-L543 HydrophobicContact CG2-CD1 4.21Å; V533-I573 HydrophobicContact CG2-CD1 4.28Å; V533-I573 HydrophobicContact CG2-CG1 4.36Å; V533-I573 HydrophobicContact CG2-CG2 4.04Å; V533-V635 HydrophobicContact CG1-CG1 3.52Å; V533-L637 HydrophobicContact CG2-CD2 4.04Å; V533-L663 HydrophobicContact CG1-CD1 4.47Å |
| 534 | V | 85.6 | Confident | 80.6 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 142.2 | -170.2 | -164.5 | 0 | 0 | 0 | 0 | 110.1 | N532 G538 N539 V635 H636 R638 | N532-V534 HydrophobicContact CB-CG2 4.33Å; V534-G538 WeakPolarHBondContact CG1-O 3.5Å; V534-N539 WeakPolarHBondContact CA-O 3.35Å; V534-N539 WeakPolarHBondContact CG1-O 3.34Å; V534-V635 WeakPolarHBondContact O-CA 3.25Å; V534-H636 PolarHBondContact N-O 3.3Å; V534-H636 PolarHBondContact O-N 2.96Å; V534-H636 PolarHBondContact O-ND1 3.43Å; V534-R638 HydrophobicContact CG2-CB 3.76Å |
| 535 | D | 82.8 | Confident | 78.8 | Confident | 31 Ų | 31 | 42.1 Ų | 42.1 | 17% | 0.166 | 23% | 0.232 | C | C | . | . | trans | -75.3 | 177.8 | 170 | 72.9 | 6.4 | 0 | 0 | 0 | 112 | N537 G538 N539 L541 H636 | D535-N537 PolarHBondContact O-N 3.26Å; D535-N537 VanDerWaalsContact O-N 3.15Å; D535-N537 WeakPolarHBondContact OD1-CA 3.48Å; D535-N537 WeakPolarHBondContact OD1-CB 3.44Å; D535-N537 PolarHBondContact OD1-N 3.02Å; D535-G538 PolarHBondContact O-N 2.69Å; D535-G538 PolarHBondContact OD1-N 3.23Å; D535-N539 PolarHBondContact N-O 3.4Å; D535-N539 PolarHBondContact OD1-N 2.95Å; D535-N539 WeakPolarHBondContact OD2-CB 3.31Å; D535-N539 PolarHBondContact OD2-ND2 2.87Å; D535-L541 HydrophobicContact CB-CD1 4.15Å; D535-L541 HydrophobicContact CB-CG 4.42Å; D535-H636 PolarHBondContact O-CE1 3.06Å | ||
| 536 | S | 78.9 | Confident | 76.7 | Confident | 64 Ų | 64 | 44 Ų | 44 | 45% | 0.448 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -16.1 | 177.6 | 55.6 | 0 | 0 | 0 | 0 | 114.1 | G634 | S536-G634 PolarHBondContact N-O 3.07Š|
| 537 | N | 79.5 | Confident | 74.4 | Confident | 117 Ų | 117 | 50.4 Ų | 50.4 | 63% | 0.626 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | -4.9 | -175.2 | -60.1 | -14.8 | 0 | 0 | 0 | 112.5 | D535 | D535-N537 PolarHBondContact O-N 3.26Å; D535-N537 VanDerWaalsContact O-N 3.15Å; D535-N537 WeakPolarHBondContact OD1-CA 3.48Å; D535-N537 WeakPolarHBondContact OD1-CB 3.44Å; D535-N537 PolarHBondContact OD1-N 3.02Å |
| 538 | G | 78.5 | Confident | 71.9 | Confident | 16 Ų | 16 | 58 Ų | 58 | 17% | 0.165 | 32% | 0.324 | C | S | . | . | S | Bend | trans | 94.1 | 2.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115 | V534 D535 C693 | V534-G538 WeakPolarHBondContact CG1-O 3.5Å; D535-G538 PolarHBondContact O-N 2.69Å; D535-G538 PolarHBondContact OD1-N 3.23Å; G538-C693 WeakPolarHBondContact CA-SG 3.49Å |
| 539 | N | 80.5 | Confident | 69.4 | Low | 92 Ų | 92 | 69.2 Ų | 69.2 | 49% | 0.492 | 37% | 0.366 | S | S | . | . | trans | -80.4 | 135.6 | -179.7 | -52.4 | -51.4 | 0 | 0 | 0 | 111.4 | V534 D535 L541 | V534-N539 WeakPolarHBondContact CA-O 3.35Å; V534-N539 WeakPolarHBondContact CG1-O 3.34Å; D535-N539 PolarHBondContact N-O 3.4Å; D535-N539 PolarHBondContact OD1-N 2.95Å; D535-N539 WeakPolarHBondContact OD2-CB 3.31Å; D535-N539 PolarHBondContact OD2-ND2 2.87Å; N539-L541 PolarHBondContact O-N 2.85Å | ||
| 540 | L | 77.8 | Confident | 67.1 | Low | 93 Ų | 93 | 74.9 Ų | 74.9 | 49% | 0.487 | 40% | 0.396 | S | S | . | . | B | Isolated β-bridge | trans | -70.1 | 123.3 | 177.1 | -76.7 | 158.1 | 0 | 0 | 0 | 110.9 | N532 | N532-L540 HydrophobicContact CB-CD2 3.47Å; N532-L540 VanDerWaalsContact CB-CD2 3.47Å |
| 541 | L | 72.3 | Confident | 65.4 | Low | 59 Ų | 59 | 77.9 Ų | 77.9 | 31% | 0.309 | 42% | 0.419 | S | S | . | . | trans | -94.3 | 110.5 | 175 | -68.6 | 169.1 | 0 | 0 | 0 | 109.4 | V533 D535 N539 L543 V635 | V533-L541 HydrophobicContact CG1-CB 4.28Å; V533-L541 HydrophobicContact CG1-CD1 4.31Å; V533-L541 PolarHBondContact O-N 3.47Å; D535-L541 HydrophobicContact CB-CD1 4.15Å; D535-L541 HydrophobicContact CB-CG 4.42Å; N539-L541 PolarHBondContact O-N 2.85Å; L541-L543 HydrophobicContact CB-CG 4.43Å; L541-L543 PolarHBondContact O-N 2.82Å; L541-L543 VanDerWaalsContact O-N 3.17Å; L541-V635 HydrophobicContact CD1-CB 4.38Å; L541-V635 HydrophobicContact CD1-CG1 3.74Å; L541-V635 HydrophobicContact CD1-CG2 3.73Å | ||
| 542 | N | 67.4 | Low | 64.3 | Low | 96 Ų | 96 | 80.5 Ų | 80.5 | 51% | 0.513 | 44% | 0.437 | S | S | . | . | trans | -82.3 | 91.2 | 171.8 | -170.4 | 13 | 0 | 0 | 0 | 109.7 | N544 P552 | N542-N544 PolarHBondContact O-N 3.48Å; N542-N544 PolarHBondContact OD1-N 3.19Å; N542-P552 HydrophobicContact CB-CB 4.31Å | ||
| 543 | L | 59.4 | Low | 63.7 | Low | 45 Ų | 45 | 81.7 Ų | 81.7 | 24% | 0.236 | 44% | 0.444 | C | S | . | . | trans | -80.6 | -2.1 | 178.2 | -67.9 | 164.8 | 0 | 0 | 0 | 113 | V533 L541 N545 I573 N574 | V533-L543 HydrophobicContact CB-CD1 4.18Å; V533-L543 HydrophobicContact CG1-CD1 3.77Å; V533-L543 HydrophobicContact CG2-CD1 4.21Å; L541-L543 HydrophobicContact CB-CG 4.43Å; L541-L543 PolarHBondContact O-N 2.82Å; L541-L543 VanDerWaalsContact O-N 3.17Å; L543-N545 PolarHBondContact O-N 3.33Å; L543-I573 HydrophobicContact CD1-CG2 3.67Å; L543-N574 WeakPolarHBondContact CB-O 3.33Å; L543-N574 WeakPolarHBondContact CD1-O 3.1Å; L543-N574 WeakPolarHBondContact O-CB 3.5Å | ||
| 544 | N | 52.3 | Low | 63.5 | Low | 37 Ų | 37 | 83.1 Ų | 83.1 | 20% | 0.198 | 45% | 0.45 | C | S | . | . | trans | -90.5 | 94.1 | 179.4 | -70.7 | -10.4 | 0 | 0 | 0 | 110.9 | N542 S546 N574 | N542-N544 PolarHBondContact O-N 3.48Å; N542-N544 PolarHBondContact OD1-N 3.19Å; N544-S546 PolarHBondContact O-N 3.02Å; N544-N574 PolarHBondContact OD1-ND2 3.33Å | ||
| 545 | N | 43.8 | Very low | 63.5 | Low | 161 Ų | 161 | 87 Ų | 87 | 86% | 0.861 | 47% | 0.467 | S | S | * | . | trans | -82.8 | 20.7 | 164.8 | -82.1 | -9.2 | 0 | 0 | 0 | 112.8 | L543 | L543-N545 PolarHBondContact O-N 3.33Š| ||
| 546 | S | 37.7 | Very low | 63.8 | Low | 55 Ų | 55 | 85.6 Ų | 85.6 | 39% | 0.385 | 46% | 0.459 | S | S | . | . | trans | -85.6 | 127.9 | 176.4 | 59.8 | 0 | 0 | 0 | 0 | 110.9 | N544 E548 | N544-S546 PolarHBondContact O-N 3.02Å; S546-E548 PolarHBondContact O-N 3.49Å; S546-E548 VanDerWaalsContact O-N 3.12Å | ||
| 547 | P | 38.9 | Very low | 64.1 | Low | 137 Ų | 137 | 83 Ų | 83 | 89% | 0.89 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -69 | -7.7 | -178.2 | 26.8 | -32.9 | 0 | 0 | 0 | 114.3 | ||
| 548 | E | 37.9 | Very low | 64.4 | Low | 160 Ų | 160 | 77.5 Ų | 77.5 | 75% | 0.748 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -98.1 | 104 | 179.9 | -76.2 | -178.8 | 146 | 0 | 0 | 113 | S546 L550 | S546-E548 PolarHBondContact O-N 3.49Å; S546-E548 VanDerWaalsContact O-N 3.12Å; E548-L550 PolarHBondContact O-N 3.14Å |
| 549 | R | 37.4 | Very low | 64.7 | Low | 242 Ų | 242 | 77.3 Ų | 77.3 | 91% | 0.913 | 41% | 0.405 | S | S | * | . | trans | 30.1 | 46.7 | 147.6 | -64.7 | -169.1 | -177.6 | -174.6 | 2.9 | 119.9 | ||||
| 550 | L | 44 | Very low | 64.7 | Low | 119 Ų | 119 | 75.8 Ų | 75.8 | 62% | 0.623 | 39% | 0.393 | S | S | * | . | trans | -114.3 | 119.1 | 164.8 | -68.7 | 170.6 | 0 | 0 | 0 | 110.1 | E548 | E548-L550 PolarHBondContact O-N 3.14Š| ||
| 551 | S | 55.4 | Low | 64.9 | Low | 86 Ų | 86 | 73.5 Ų | 73.5 | 60% | 0.601 | 38% | 0.38 | S | S | * | . | trans | -58 | 143.6 | 169.9 | 49.3 | 0 | 0 | 0 | 0 | 109.7 | V553 | S551-V553 PolarHBondContact O-N 3.49Å; S551-V553 PolarHBondContact OG-O 2.99Å | ||
| 552 | P | 65.3 | Low | 65.3 | Low | 62 Ų | 62 | 72.6 Ų | 72.6 | 40% | 0.403 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -65.9 | 10.8 | 177.9 | 27.4 | -34.9 | 0 | 0 | 0 | 114.1 | N542 | N542-P552 HydrophobicContact CB-CB 4.31Š|
| 553 | V | 74.7 | Confident | 66.1 | Low | 28 Ų | 28 | 68.5 Ų | 68.5 | 17% | 0.17 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 116.3 | -167.8 | 170.7 | 0 | 0 | 0 | 0 | 106.8 | E530 N532 S551 K555 | E530-V553 HydrophobicContact CG-CG1 3.34Å; N532-V553 WeakPolarHBondContact OD1-CA 3.48Å; N532-V553 WeakPolarHBondContact OD1-CB 3.26Å; N532-V553 VanDerWaalsContact OD1-CG1 3.26Å; N532-V553 WeakPolarHBondContact OD1-CG1 3.33Å; N532-V553 WeakPolarHBondContact OD1-CG2 3.44Å; S551-V553 PolarHBondContact O-N 3.49Å; S551-V553 PolarHBondContact OG-O 2.99Å; V553-K555 HydrophobicContact CG1-CG 4.21Å |
| 554 | H | 82.7 | Confident | 67.2 | Low | 46 Ų | 46 | 71.8 Ų | 71.8 | 21% | 0.213 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 132.3 | 171.1 | -178.8 | 71.7 | 0 | 0 | 0 | 109.5 | E530 V531 E569 | E530-H554 CarbonylContact C-O 3.58Å; E530-H554 WeakPolarHBondContact CA-O 3.16Å; V531-H554 HydrophobicContact CB-CB 4.3Å; V531-H554 PolarHBondContact N-O 3.44Å; V531-H554 PolarHBondContact O-N 3.49Å; H554-E569 IonicContact CD2-OE2 3.83Å; H554-E569 IonicContact CE1-OE2 3.53Å; H554-E569 IonicContact NE2-OE2 2.75Å; H554-E569 PolarHBondContact NE2-OE2 2.73Å |
| 555 | K | 86.2 | Confident | 68.8 | Low | 82 Ų | 82 | 70.1 Ų | 70.1 | 36% | 0.357 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 126.1 | 174.9 | -68.9 | -177.8 | -179.8 | 175.2 | 0 | 109.7 | K354 V529 E530 V553 | K354-K555 PolarHBondContact NZ-O 3.37Å; V529-K555 WeakPolarHBondContact O-CA 3.22Å; E530-K555 HydrophobicContact CG-CG 4.36Å; V553-K555 HydrophobicContact CG1-CG 4.21Å |
| 556 | S | 88.4 | Confident | 70.6 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 33% | 0.332 | C | S | . | . | trans | -73.7 | 161.4 | -178.4 | 77.8 | 0 | 0 | 0 | 0 | 113.4 | V529 W567 E569 | V529-S556 PolarHBondContact N-OG 2.84Å; V529-S556 PolarHBondContact O-N 3.42Å; S556-W567 PolarHBondContact OG-NE1 3.45Å; S556-E569 VanDerWaalsContact CA-OE2 3.32Å; S556-E569 WeakPolarHBondContact CA-OE2 3.24Å | ||
| 557 | V | 85.4 | Confident | 72.8 | Confident | 10 Ų | 10 | 64 Ų | 64 | 6% | 0.061 | 31% | 0.314 | C | S | . | . | trans | -65.2 | 139.6 | 171.5 | 172.1 | 0 | 0 | 0 | 0 | 110.6 | K354 P356 W567 E569 | K354-V557 HydrophobicContact CB-CG2 4.14Å; P356-V557 HydrophobicContact CB-CG1 4.47Å; P356-V557 HydrophobicContact CG-CG1 3.77Å; V557-W567 PolarHBondContact O-NE1 2.99Å; V557-E569 WeakPolarHBondContact CB-OE1 3.01Å; V557-E569 WeakPolarHBondContact CG2-OE1 3.05Å; V557-E569 PolarHBondContact N-OE1 2.83Å | ||
| 558 | V | 86.1 | Confident | 74.7 | Confident | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | trans | -107.6 | 112.7 | -176.6 | -175.8 | 0 | 0 | 0 | 0 | 110.9 | L353 K354 N526 E528 R644 | L353-V558 HydrophobicContact CD2-CG2 4.28Å; K354-V558 PolarHBondContact O-N 3.12Å; N526-V558 HydrophobicContact CB-CG1 3.77Å; E528-V558 HydrophobicContact CB-CG2 3.58Å; E528-V558 HydrophobicContact CG-CG2 3.83Å; V558-R644 HydrophobicContact CG1-CB 4.48Å | ||
| 559 | Y | 84.8 | Confident | 76.8 | Confident | 13 Ų | 13 | 53 Ų | 53 | 5% | 0.051 | 26% | 0.255 | C | S | . | . | trans | -82.7 | 146.6 | 172.5 | -60.6 | -78 | 0 | 0 | 0 | 111.6 | P356 F409 L410 N526 P565 Y566 | P356-Y559 HydrophobicContact CG-CD1 4.18Å; P356-Y559 HydrophobicContact CG-CE1 3.58Å; F409-Y559 HydrophobicContact CD1-CD1 4.43Å; F409-Y559 HydrophobicContact CD1-CD2 4.35Å; F409-Y559 HydrophobicContact CD1-CE1 4.42Å; F409-Y559 HydrophobicContact CD1-CE2 4.33Å; F409-Y559 HydrophobicContact CD1-CG 4.38Å; L410-Y559 HydrophobicContact CB-CE1 4.45Å; L410-Y559 WeakPolarHBondContact CB-OH 3.42Å; L410-Y559 PolarHBondContact N-OH 3.45Å; N526-Y559 WeakPolarHBondContact CA-O 3.48Å; Y559-P565 HydrophobicContact CD2-CB 3.91Å; Y559-P565 HydrophobicContact CE2-CB 4.36Å; Y559-Y566 WeakPolarHBondContact CE2-O 3.47Å; Y559-Y566 PolarHBondContact OH-O 3.21Å | ||
| 560 | Y | 80 | Confident | 79 | Confident | 59 Ų | 59 | 42.3 Ų | 42.3 | 23% | 0.231 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | 123.8 | 179.9 | -174.8 | -113.2 | 0 | 0 | 0 | 110.9 | M325 H326 N526 K562 T646 | M325-Y560 HydrophobicContact CG-CD2 4.22Å; M325-Y560 HydrophobicContact SD-CD2 4.31Å; H326-Y560 AromaticContact CE1-CE2 3.6Å; H326-Y560 AromaticContact CE1-CZ 3.59Å; H326-Y560 PolarHBondContact CE1-OH 3.14Å; H326-Y560 AromaticContact NE2-CE2 3.71Å; H326-Y560 AromaticContact NE2-CZ 3.98Å; N526-Y560 WeakPolarHBondContact OD1-CA 3.49Å; Y560-K562 WeakPolarHBondContact O-CG 3.38Å; Y560-K562 PolarHBondContact O-N 3.27Å; Y560-T646 HydrophobicContact CD2-CG2 4.33Å; Y560-T646 HydrophobicContact CE2-CG2 3.61Å |
| 561 | H | 82.5 | Confident | 80.7 | Confident | 45 Ų | 45 | 37.8 Ų | 37.8 | 21% | 0.208 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 43.9 | 56.9 | 179.6 | -70.9 | -48.2 | 0 | 0 | 0 | 113.2 | R523 E524 N526 | R523-H561 WeakPolarHBondContact CD-NE2 3.27Å; E524-H561 VanDerWaalsContact CB-C 3.48Å; E524-H561 HydrophobicContact CB-CB 4.21Å; E524-H561 WeakPolarHBondContact CB-O 3.05Å; E524-H561 PolarHBondContact O-ND1 3.27Å; E524-H561 VanDerWaalsContact OE2-O 3.14Å; N526-H561 PolarHBondContact OD1-N 2.65Å |
| 562 | K | 81.6 | Confident | 81.9 | Confident | 40 Ų | 40 | 36.3 Ų | 36.3 | 17% | 0.174 | 18% | 0.177 | C | C | . | . | trans | -131.7 | 110.9 | 179.9 | -71 | -134.6 | 174.7 | 179.9 | 0 | 112.2 | E407 F409 E524 H525 Y560 | E407-K562 WeakPolarHBondContact O-CE 3.16Å; E407-K562 PolarHBondContact O-NZ 2.72Å; F409-K562 HydrophobicContact CD1-CD 3.92Å; F409-K562 HydrophobicContact CE1-CB 4.16Å; F409-K562 HydrophobicContact CE1-CD 3.14Å; F409-K562 HydrophobicContact CE1-CG 4.25Å; F409-K562 HydrophobicContact CE2-CD 4Å; F409-K562 HydrophobicContact CZ-CD 3.22Å; F409-K562 HydrophobicContact CZ-CG 4.47Å; E524-K562 WeakPolarHBondContact OE2-CA 3.34Å; H525-K562 CarbonylContact O-C 3.54Å; H525-K562 PolarHBondContact O-N 3.32Å; H525-K562 VanDerWaalsContact O-O 3.09Å; Y560-K562 WeakPolarHBondContact O-CG 3.38Å; Y560-K562 PolarHBondContact O-N 3.27Å | ||
| 563 | N | 82.8 | Confident | 82.7 | Confident | 11 Ų | 11 | 33.9 Ų | 33.9 | 6% | 0.059 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -81.3 | -14.4 | 178.2 | -88.4 | -2.3 | 0 | 0 | 0 | 114.7 | F516 K518 E524 H525 P565 | F516-N563 WeakPolarHBondContact CB-O 3.46Å; F516-N563 WeakPolarHBondContact CD2-O 3.35Å; F516-N563 PolarHBondContact N-O 3.47Å; F516-N563 VanDerWaalsContact O-CB 3.26Å; F516-N563 WeakPolarHBondContact O-CB 3.43Å; F516-N563 PolarHBondContact O-ND2 3.2Å; K518-N563 VanDerWaalsContact CA-ND2 3.25Å; K518-N563 WeakPolarHBondContact CA-ND2 3.36Å; K518-N563 VanDerWaalsContact CB-ND2 3.27Å; K518-N563 WeakPolarHBondContact CB-ND2 3.3Å; K518-N563 PolarHBondContact N-ND2 3.44Å; E524-N563 HydrophobicContact CB-CB 4.36Å; E524-N563 HydrophobicContact CG-CB 4.34Å; E524-N563 PolarHBondContact OE2-N 2.85Å; H525-N563 WeakPolarHBondContact CB-OD1 3.24Å; H525-N563 PolarHBondContact CD2-OD1 3.27Å; H525-N563 VanDerWaalsContact CD2-OD1 3.29Å; H525-N563 PolarHBondContact N-OD1 2.87Å; N563-P565 WeakPolarHBondContact O-CD 3.45Å |
| 564 | Q | 83.5 | Confident | 82.9 | Confident | 114 Ų | 114 | 34.9 Ų | 34.9 | 53% | 0.533 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -120.3 | 61.9 | 175.8 | -68.3 | -176.5 | -13.9 | 0 | 0 | 111.3 | F409 G514 N515 | F409-Q564 WeakPolarHBondContact CE1-O 3.35Å; F409-Q564 WeakPolarHBondContact CZ-O 3.32Å; G514-Q564 CarbonylContact O-C 3.6Å; G514-Q564 WeakPolarHBondContact O-CA 3.43Å; N515-Q564 WeakPolarHBondContact OD1-CG 3.12Å; N515-Q564 PolarHBondContact OD1-NE2 3.22Å |
| 565 | P | 85.5 | Confident | 82.6 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | trans | -61.9 | 136.4 | -179.9 | 28.9 | -37.3 | 0 | 0 | 0 | 112.3 | S513 G514 F516 V527 Y559 N563 W567 | S513-P565 CarbonylContact C-O 3.56Å; S513-P565 WeakPolarHBondContact CA-O 3.48Å; S513-P565 WeakPolarHBondContact CB-O 3.4Å; G514-P565 PolarHBondContact N-O 3.14Å; G514-P565 VanDerWaalsContact O-CD 3.3Å; G514-P565 WeakPolarHBondContact O-CD 3.03Å; F516-P565 HydrophobicContact CD2-CG 4.21Å; F516-P565 HydrophobicContact CE2-CG 3.91Å; V527-P565 HydrophobicContact CB-CG 4.3Å; Y559-P565 HydrophobicContact CD2-CB 3.91Å; Y559-P565 HydrophobicContact CE2-CB 4.36Å; N563-P565 WeakPolarHBondContact O-CD 3.45Å; P565-W567 HydrophobicContact CB-CD2 4.15Å; P565-W567 HydrophobicContact CB-CE3 4.43Å; P565-W567 HydrophobicContact CB-CH2 3.89Å; P565-W567 HydrophobicContact CB-CZ2 3.51Å; P565-W567 HydrophobicContact CB-CZ3 4.32Å; P565-W567 HydrophobicContact CG-CD2 4.49Å; P565-W567 HydrophobicContact CG-CE3 4.41Å; P565-W567 HydrophobicContact CG-CH2 3.21Å; P565-W567 HydrophobicContact CG-CZ2 3.25Å; P565-W567 HydrophobicContact CG-CZ3 3.83Å | ||
| 566 | Y | 81.6 | Confident | 81.8 | Confident | 86 Ų | 86 | 30.4 Ų | 30.4 | 34% | 0.337 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 115.7 | 166.3 | -168.2 | -79.3 | 0 | 0 | 0 | 108.3 | S411 I512 Y559 | S411-Y566 WeakPolarHBondContact OG-CD1 2.99Å; I512-Y566 HydrophobicContact CG2-CD2 4.24Å; I512-Y566 HydrophobicContact CG2-CE2 3.5Å; I512-Y566 VanDerWaalsContact CG2-CE2 3.5Å; I512-Y566 CarbonylContact O-C 3.6Å; I512-Y566 WeakPolarHBondContact O-CA 3.33Å; Y559-Y566 WeakPolarHBondContact CE2-O 3.47Å; Y559-Y566 PolarHBondContact OH-O 3.21Å |
| 567 | W | 83.4 | Confident | 80.8 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 0% | 0.004 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | -53.3 | -174.4 | -66 | -79.3 | 0 | 0 | 0 | 112 | L511 I512 S513 G514 F516 V527 V529 S556 V557 P565 E569 L760 | L511-W567 HydrophobicContact CD1-CE3 3.92Å; L511-W567 HydrophobicContact CD1-CZ3 4.08Å; L511-W567 HydrophobicContact CD2-CB 4.28Å; L511-W567 HydrophobicContact CD2-CD2 3.86Å; L511-W567 HydrophobicContact CD2-CE3 3.87Å; L511-W567 HydrophobicContact CD2-CG 4.05Å; L511-W567 HydrophobicContact CD2-CZ3 4.4Å; L511-W567 HydrophobicContact CG-CB 4.16Å; L511-W567 HydrophobicContact CG-CD2 4.06Å; L511-W567 HydrophobicContact CG-CE3 3.66Å; L511-W567 HydrophobicContact CG-CG 4.3Å; L511-W567 HydrophobicContact CG-CZ3 4.29Å; L511-W567 WeakPolarHBondContact O-CB 3.23Å; I512-W567 PolarHBondContact O-N 3.15Å; S513-W567 VanDerWaalsContact C-CZ3 3.41Å; G514-W567 VanDerWaalsContact N-CZ3 3.34Å; F516-W567 AromaticContact CE2-CH2 3.94Å; F516-W567 HydrophobicContact CE2-CH2 3.94Å; F516-W567 HydrophobicContact CZ-CH2 4.31Å; V527-W567 HydrophobicContact CB-CZ2 4.47Å; V527-W567 HydrophobicContact CG1-CH2 4.26Å; V527-W567 HydrophobicContact CG1-CZ2 4.06Å; V529-W567 HydrophobicContact CG2-CH2 3.35Å; V529-W567 HydrophobicContact CG2-CZ2 3.51Å; V529-W567 HydrophobicContact CG2-CZ3 4.09Å; S556-W567 PolarHBondContact OG-NE1 3.45Å; V557-W567 PolarHBondContact O-NE1 2.99Å; P565-W567 HydrophobicContact CB-CD2 4.15Å; P565-W567 HydrophobicContact CB-CE3 4.43Å; P565-W567 HydrophobicContact CB-CH2 3.89Å; P565-W567 HydrophobicContact CB-CZ2 3.51Å; P565-W567 HydrophobicContact CB-CZ3 4.32Å; P565-W567 HydrophobicContact CG-CD2 4.49Å; P565-W567 HydrophobicContact CG-CE3 4.41Å; P565-W567 HydrophobicContact CG-CH2 3.21Å; P565-W567 HydrophobicContact CG-CZ2 3.25Å; P565-W567 HydrophobicContact CG-CZ3 3.83Å; W567-E569 HydrophobicContact CB-CB 4.41Å; W567-E569 HydrophobicContact CB-CG 4.04Å; W567-E569 PolarHBondContact O-N 2.98Å; W567-L760 HydrophobicContact CH2-CD1 4.05Å; W567-L760 HydrophobicContact CZ3-CD1 3.74Å |
| 568 | S | 79.4 | Confident | 79.9 | Confident | 43 Ų | 43 | 37.1 Ų | 37.1 | 30% | 0.301 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 54.8 | 35.7 | -170.3 | -153.3 | 0 | 0 | 0 | 0 | 113.6 | L511 I512 | L511-S568 CarbonylContact O-C 3.44Å; L511-S568 VanDerWaalsContact O-CA 3.24Å; L511-S568 WeakPolarHBondContact O-CA 3.44Å; L511-S568 PolarHBondContact O-N 3.48Å; I512-S568 PolarHBondContact O-N 3.46Å |
| 569 | E | 83 | Confident | 78.9 | Confident | 23 Ų | 23 | 39.2 Ų | 39.2 | 11% | 0.107 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 129.7 | -176.8 | -74.2 | 176.6 | -156.1 | 0 | 0 | 111.2 | T510 L511 H554 S556 V557 W567 | T510-E569 CarbonylContact C-O 3.49Å; T510-E569 VanDerWaalsContact CA-O 3.28Å; T510-E569 WeakPolarHBondContact CA-O 3.28Å; L511-E569 PolarHBondContact N-O 3.43Å; L511-E569 PolarHBondContact O-N 3.26Å; H554-E569 IonicContact CD2-OE2 3.83Å; H554-E569 IonicContact CE1-OE2 3.53Å; H554-E569 IonicContact NE2-OE2 2.75Å; H554-E569 PolarHBondContact NE2-OE2 2.73Å; S556-E569 VanDerWaalsContact CA-OE2 3.32Å; S556-E569 WeakPolarHBondContact CA-OE2 3.24Å; V557-E569 WeakPolarHBondContact CB-OE1 3.01Å; V557-E569 WeakPolarHBondContact CG2-OE1 3.05Å; V557-E569 PolarHBondContact N-OE1 2.83Å; W567-E569 HydrophobicContact CB-CB 4.41Å; W567-E569 HydrophobicContact CB-CG 4.04Å; W567-E569 PolarHBondContact O-N 2.98Å |
| 570 | L | 83.4 | Confident | 77.8 | Confident | 19 Ų | 19 | 38.8 Ų | 38.8 | 10% | 0.099 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 136.4 | 177.8 | -178.2 | 67.6 | 0 | 0 | 0 | 110.8 | Y484 Y508 T510 | Y484-L570 HydrophobicContact CD2-CD2 3.95Å; Y484-L570 HydrophobicContact CE2-CD1 3.9Å; Y484-L570 HydrophobicContact CE2-CD2 3.99Å; Y508-L570 HydrophobicContact CD1-CD1 3.9Å; Y508-L570 HydrophobicContact CD1-CD2 4.14Å; Y508-L570 HydrophobicContact CD1-CG 4.25Å; Y508-L570 HydrophobicContact CE1-CD2 4.43Å; Y508-L570 HydrophobicContact CG-CD1 4.47Å; T510-L570 WeakPolarHBondContact OG1-CD1 3.49Å |
| 571 | F | 79.8 | Confident | 76.9 | Confident | 23 Ų | 23 | 36.2 Ų | 36.2 | 10% | 0.101 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 155.1 | 169.9 | 51.9 | -82.8 | 0 | 0 | 0 | 110.8 | V509 L511 V531 I573 | V509-F571 HydrophobicContact CB-CD2 3.86Å; V509-F571 HydrophobicContact CB-CE1 4.08Å; V509-F571 HydrophobicContact CB-CE2 3.34Å; V509-F571 HydrophobicContact CB-CG 4.46Å; V509-F571 HydrophobicContact CB-CZ 3.46Å; V509-F571 VanDerWaalsContact CB-CZ 3.46Å; V509-F571 HydrophobicContact CG1-CE1 3.92Å; V509-F571 HydrophobicContact CG1-CE2 3.58Å; V509-F571 HydrophobicContact CG1-CZ 3.2Å; V509-F571 HydrophobicContact CG2-CD2 4.49Å; V509-F571 HydrophobicContact CG2-CE2 3.97Å; V509-F571 HydrophobicContact CG2-CZ 4.46Å; V509-F571 PolarHBondContact N-O 3.14Å; V509-F571 VanDerWaalsContact O-CD1 3.22Å; V509-F571 WeakPolarHBondContact O-CD1 3.42Å; V509-F571 WeakPolarHBondContact O-CE1 3.08Å; V509-F571 PolarHBondContact O-N 3.04Å; L511-F571 HydrophobicContact CB-CE1 3.98Å; V531-F571 HydrophobicContact CB-CE2 4.4Å; V531-F571 HydrophobicContact CB-CZ 4.3Å; V531-F571 HydrophobicContact CG1-CE2 3.63Å; V531-F571 HydrophobicContact CG1-CZ 3.75Å; V531-F571 HydrophobicContact CG2-CZ 4.17Å; F571-I573 HydrophobicContact CD2-CG1 4.5Å; F571-I573 HydrophobicContact CE2-CD1 4.44Å |
| 572 | I | 81.1 | Confident | 75.6 | Confident | 56 Ų | 56 | 38 Ų | 38 | 29% | 0.287 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 133.3 | -172.7 | -53.1 | 178.6 | 0 | 0 | 0 | 108.7 | E284 E506 Y508 | E284-I572 HydrophobicContact CG-CD1 4.49Å; E506-I572 HydrophobicContact CB-CG2 3.83Å; E506-I572 HydrophobicContact CG-CG2 3.88Å; Y508-I572 HydrophobicContact CD1-CD1 4.2Å; Y508-I572 HydrophobicContact CD1-CG1 3.73Å; Y508-I572 HydrophobicContact CE1-CD1 3.6Å; Y508-I572 HydrophobicContact CE1-CG1 3.67Å |
| 573 | I | 80.3 | Confident | 74.1 | Confident | 10 Ų | 10 | 38.9 Ų | 38.9 | 5% | 0.051 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 120.7 | 176.5 | -58.4 | 161.2 | 0 | 0 | 0 | 108 | E506 L507 V509 V533 L543 F571 L637 | E506-I573 CarbonylContact C-O 3.37Å; E506-I573 WeakPolarHBondContact CA-O 3.41Å; L507-I573 HydrophobicContact CB-CB 4.25Å; L507-I573 HydrophobicContact CD2-CD1 4.04Å; L507-I573 HydrophobicContact CG-CD1 4.41Å; L507-I573 PolarHBondContact N-O 3.47Å; L507-I573 PolarHBondContact O-N 2.9Å; V509-I573 HydrophobicContact CG2-CD1 3.66Å; V533-I573 HydrophobicContact CG2-CD1 4.28Å; V533-I573 HydrophobicContact CG2-CG1 4.36Å; V533-I573 HydrophobicContact CG2-CG2 4.04Å; L543-I573 HydrophobicContact CD1-CG2 3.67Å; F571-I573 HydrophobicContact CD2-CG1 4.5Å; F571-I573 HydrophobicContact CE2-CD1 4.44Å; I573-L637 HydrophobicContact CD1-CD1 3.96Å; I573-L637 HydrophobicContact CD1-CD2 3.58Å; I573-L637 HydrophobicContact CD1-CG 4.13Å |
| 574 | N | 78.6 | Confident | 72.5 | Confident | 50 Ų | 50 | 40.7 Ų | 40.7 | 27% | 0.267 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 129.2 | 173.9 | -61.2 | -47.1 | 0 | 0 | 0 | 110.3 | R505 L543 N544 | R505-N574 CarbonylContact O-C 3.42Å; R505-N574 WeakPolarHBondContact O-CA 3.44Å; L543-N574 WeakPolarHBondContact CB-O 3.33Å; L543-N574 WeakPolarHBondContact CD1-O 3.1Å; L543-N574 WeakPolarHBondContact O-CB 3.5Å; N544-N574 PolarHBondContact OD1-ND2 3.33Å |
| 575 | L | 77.6 | Confident | 70.7 | Confident | 10 Ų | 10 | 39.4 Ų | 39.4 | 5% | 0.052 | 21% | 0.213 | C | C | . | . | trans | -91.6 | 142.7 | -180 | -60.3 | 170.7 | 0 | 0 | 0 | 110.2 | R505 L507 L632 L672 V766 | R505-L575 HydrophobicContact CB-CB 4.19Å; R505-L575 WeakPolarHBondContact CB-O 3.43Å; R505-L575 PolarHBondContact O-N 3.21Å; L507-L575 HydrophobicContact CB-CD1 4.27Å; L507-L575 HydrophobicContact CB-CD2 4.08Å; L507-L575 HydrophobicContact CB-CG 4.23Å; L575-L632 HydrophobicContact CD2-CD1 4.45Å; L575-L672 HydrophobicContact CD1-CD1 3.81Å; L575-V766 HydrophobicContact CD1-CG1 4.42Å | ||
| 576 | P | 70.1 | Confident | 68.2 | Low | 24 Ų | 24 | 45 Ų | 45 | 16% | 0.156 | 25% | 0.248 | C | C | . | . | trans | -67.2 | 177.3 | 174.3 | 30.2 | -35.5 | 0 | 0 | 0 | 112 | M631 L632 H771 | P576-M631 HydrophobicContact CB-CE 4.2Å; P576-M631 HydrophobicContact CG-CB 4.47Å; P576-L632 HydrophobicContact CG-CD1 4.06Å; P576-L632 HydrophobicContact CG-CD2 3.64Å; P576-L632 HydrophobicContact CG-CG 3.69Å; P576-H771 PolarHBondContact O-CE1 3.25Å; P576-H771 PolarHBondContact O-NE2 3.05Å | ||
| 577 | Y | 66.3 | Low | 66.1 | Low | 145 Ų | 145 | 44.4 Ų | 44.4 | 57% | 0.569 | 25% | 0.253 | S | S | * | . | trans | -64.8 | 138.5 | 174.3 | -67.8 | -101.7 | 0 | 0 | 0 | 110.7 | R505 E581 | R505-Y577 VanDerWaalsContact CZ-CD1 3.42Å; R505-Y577 VanDerWaalsContact NH2-CD1 3.34Å; Y577-E581 WeakPolarHBondContact CA-OE2 3.41Å; Y577-E581 HydrophobicContact CD1-CG 4.4Å; Y577-E581 VanDerWaalsContact CD1-OE2 3.24Å; Y577-E581 WeakPolarHBondContact CD1-OE2 3.45Å | ||
| 578 | S | 66.7 | Low | 63.5 | Low | 6 Ų | 6 | 49.3 Ų | 49.3 | 4% | 0.042 | 28% | 0.283 | C | S | . | . | trans | -89.3 | 157.2 | 178 | 82.5 | 0 | 0 | 0 | 0 | 112.1 | I580 E581 S582 Y770 | S578-I580 PolarHBondContact O-N 3.05Å; S578-I580 PolarHBondContact OG-N 3.13Å; S578-E581 VanDerWaalsContact O-CB 3.32Å; S578-E581 WeakPolarHBondContact O-CB 3.27Å; S578-E581 PolarHBondContact O-N 2.91Å; S578-E581 VanDerWaalsContact O-N 3.09Å; S578-E581 PolarHBondContact OG-N 2.6Å; S578-S582 PolarHBondContact O-N 3.36Å; S578-Y770 WeakPolarHBondContact CB-O 3.27Å; S578-Y770 WeakPolarHBondContact OG-CB 3.48Å; S578-Y770 PolarHBondContact OG-O 2.78Å | ||
| 579 | P | 64 | Low | 61.2 | Low | 45 Ų | 45 | 55.4 Ų | 55.4 | 29% | 0.292 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.2 | -32.9 | 169.8 | -20.5 | 31.2 | 0 | 0 | 0 | 112.4 | E581 S582 S583 | P579-E581 VanDerWaalsContact C-N 3.3Å; P579-E581 PolarHBondContact O-N 3.06Å; P579-S582 PolarHBondContact O-N 3.34Å; P579-S583 PolarHBondContact O-N 2.78Å |
| 580 | I | 61.9 | Low | 58.6 | Low | 4 Ų | 4 | 61.9 Ų | 61.9 | 2% | 0.021 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.2 | -35.8 | 176.4 | -59.2 | 168.2 | 0 | 0 | 0 | 110.4 | S578 S582 S583 C584 T772 I781 F810 | S578-I580 PolarHBondContact O-N 3.05Å; S578-I580 PolarHBondContact OG-N 3.13Å; I580-S582 VanDerWaalsContact C-N 3.34Å; I580-S582 PolarHBondContact O-N 2.83Å; I580-S583 PolarHBondContact O-N 2.88Å; I580-S583 PolarHBondContact O-OG 3.46Å; I580-C584 PolarHBondContact O-N 3.42Å; I580-C584 VanDerWaalsContact O-N 3.1Å; I580-C584 PolarHBondContact O-SG 2.72Å; I580-T772 HydrophobicContact CD1-CG2 4.15Å; I580-I781 HydrophobicContact CG1-CG2 4.33Å; I580-I781 HydrophobicContact CG2-CD1 4.49Å; I580-I781 HydrophobicContact CG2-CG2 4.09Å; I580-F810 HydrophobicContact CG2-CD1 4.16Å; I580-F810 HydrophobicContact CG2-CE1 3.8Å |
| 581 | E | 61.3 | Low | 55.9 | Low | 4 Ų | 4 | 64.4 Ų | 64.4 | 2% | 0.019 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.1 | -40 | 176 | -171.8 | 167.1 | -167.4 | 0 | 0 | 111.9 | R505 Y577 S578 P579 S583 C584 I585 Y770 | R505-E581 IonicContact CZ-OE1 3.05Å; R505-E581 IonicContact CZ-OE2 2.75Å; R505-E581 VanDerWaalsContact CZ-OE2 3.23Å; R505-E581 IonicContact NE-OE1 3.53Å; R505-E581 PolarHBondContact NE-OE1 2.86Å; R505-E581 IonicContact NE-OE2 3.1Å; R505-E581 PolarHBondContact NE-OE2 2.9Å; R505-E581 IonicContact NH1-OE2 2.76Å; R505-E581 IonicContact NH2-OE1 3.75Å; R505-E581 PolarHBondContact NH2-OE1 2.93Å; R505-E581 IonicContact NH2-OE2 4Å; R505-E581 PolarHBondContact NH2-OE2 3.32Å; Y577-E581 WeakPolarHBondContact CA-OE2 3.41Å; Y577-E581 HydrophobicContact CD1-CG 4.4Å; Y577-E581 VanDerWaalsContact CD1-OE2 3.24Å; Y577-E581 WeakPolarHBondContact CD1-OE2 3.45Å; S578-E581 VanDerWaalsContact O-CB 3.32Å; S578-E581 WeakPolarHBondContact O-CB 3.27Å; S578-E581 PolarHBondContact O-N 2.91Å; S578-E581 VanDerWaalsContact O-N 3.09Å; S578-E581 PolarHBondContact OG-N 2.6Å; P579-E581 VanDerWaalsContact C-N 3.3Å; P579-E581 PolarHBondContact O-N 3.06Å; E581-S583 VanDerWaalsContact C-N 3.28Å; E581-S583 PolarHBondContact O-N 2.8Å; E581-C584 PolarHBondContact O-N 3.29Å; E581-I585 HydrophobicContact CG-CD1 3.66Å; E581-I585 HydrophobicContact CG-CG1 4.35Å; E581-I585 WeakPolarHBondContact O-CG1 3.33Å; E581-I585 PolarHBondContact O-N 3.31Å; E581-Y770 HydrophobicContact CB-CD1 3.94Å; E581-Y770 HydrophobicContact CB-CD2 4.31Å; E581-Y770 HydrophobicContact CB-CG 3.8Å; E581-Y770 HydrophobicContact CG-CD1 3.87Å; E581-Y770 HydrophobicContact CG-CD2 3.9Å; E581-Y770 HydrophobicContact CG-CE1 4.02Å; E581-Y770 HydrophobicContact CG-CE2 4.04Å; E581-Y770 HydrophobicContact CG-CG 3.81Å; E581-Y770 WeakPolarHBondContact OE1-CD2 3.44Å; E581-Y770 WeakPolarHBondContact OE1-CE2 3.35Å |
| 582 | S | 55.3 | Low | 53.3 | Low | 83 Ų | 83 | 69.6 Ų | 69.6 | 58% | 0.58 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -64 | -33 | 177.9 | -55.8 | 0 | 0 | 0 | 0 | 112.5 | S578 P579 I580 | S578-S582 PolarHBondContact O-N 3.36Å; P579-S582 PolarHBondContact O-N 3.34Å; I580-S582 VanDerWaalsContact C-N 3.34Å; I580-S582 PolarHBondContact O-N 2.83Å |
| 583 | S | 50 | Low | 50.7 | Low | 59 Ų | 59 | 73.7 Ų | 73.7 | 41% | 0.413 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -78.9 | -21.9 | 173.5 | 66 | 0 | 0 | 0 | 0 | 113.4 | P579 I580 E581 | P579-S583 PolarHBondContact O-N 2.78Å; I580-S583 PolarHBondContact O-N 2.88Å; I580-S583 PolarHBondContact O-OG 3.46Å; E581-S583 VanDerWaalsContact C-N 3.28Å; E581-S583 PolarHBondContact O-N 2.8Å |
| 584 | C | 50.2 | Low | 48.2 | Very low | 49 Ų | 49 | 81.1 Ų | 81.1 | 33% | 0.331 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -83.2 | -23.7 | 179.5 | -67.4 | 0 | 0 | 0 | 0 | 114 | I580 E581 | I580-C584 PolarHBondContact O-N 3.42Å; I580-C584 VanDerWaalsContact O-N 3.1Å; I580-C584 PolarHBondContact O-SG 2.72Å; E581-C584 PolarHBondContact O-N 3.29Å |
| 585 | I | 45.4 | Very low | 45.7 | Very low | 86 Ų | 86 | 86.4 Ų | 86.4 | 44% | 0.441 | 50% | 0.5 | S | S | . | . | S | Bend | trans | -85 | -19.2 | -171.4 | -69.4 | 168.7 | 0 | 0 | 0 | 114 | E581 T587 T588 | E581-I585 HydrophobicContact CG-CD1 3.66Å; E581-I585 HydrophobicContact CG-CG1 4.35Å; E581-I585 WeakPolarHBondContact O-CG1 3.33Å; E581-I585 PolarHBondContact O-N 3.31Å; I585-T587 PolarHBondContact O-N 2.71Å; I585-T588 PolarHBondContact O-N 3.04Å |
| 586 | T | 33 | Very low | 43.4 | Very low | 120 Ų | 120 | 94.6 Ų | 94.6 | 74% | 0.736 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | 17 | -168.9 | 16.9 | 0 | 0 | 0 | 0 | 117.2 | ||
| 587 | T | 36.7 | Very low | 41.2 | Very low | 73 Ų | 73 | 97.4 Ų | 97.4 | 45% | 0.448 | 58% | 0.577 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -138 | 18.9 | 175.5 | 53.3 | 0 | 0 | 0 | 0 | 116.4 | I585 | I585-T587 PolarHBondContact O-N 2.71Š|
| 588 | T | 29.4 | Very low | 39.3 | Very low | 103 Ų | 103 | 94.1 Ų | 94.1 | 63% | 0.632 | 59% | 0.587 | S | S | * | * | trans | -113.6 | 87.5 | 167.2 | 54 | 0 | 0 | 0 | 0 | 109.9 | I585 | I585-T588 PolarHBondContact O-N 3.04Š| ||
| 589 | I | 31 | Very low | 37.3 | Very low | 171 Ų | 171 | 101.4 Ų | 101.4 | 88% | 0.877 | 63% | 0.626 | S | S | * | * | trans | -80.1 | 117 | 169 | -66 | 174.9 | 0 | 0 | 0 | 107.5 | ||||
| 590 | D | 28.7 | Very low | 35.7 | Very low | 159 Ų | 159 | 106.8 Ų | 106.8 | 85% | 0.85 | 65% | 0.652 | S | S | * | * | trans | -54.3 | 139.8 | 173.7 | -67.4 | -53.9 | 0 | 0 | 0 | 112.6 | ||||
| 591 | G | 27.2 | Very low | 34 | Very low | 72 Ų | 72 | 113.5 Ų | 113.5 | 74% | 0.742 | 69% | 0.688 | S | S | * | * | trans | 142.3 | 78.3 | 154 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 592 | V | 25.5 | Very low | 32.7 | Very low | 133 Ų | 133 | 120.7 Ų | 120.7 | 81% | 0.806 | 73% | 0.726 | S | S | * | * | trans | -148.4 | 131.4 | 141.5 | -172.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 593 | N | 25.2 | Very low | 31.4 | Very low | 141 Ų | 141 | 123.2 Ų | 123.2 | 75% | 0.754 | 73% | 0.734 | S | S | * | * | trans | 93.9 | 94.6 | 172.7 | -60.8 | -24.1 | 0 | 0 | 0 | 117.7 | ||||
| 594 | N | 29.2 | Very low | 30.5 | Very low | 166 Ų | 166 | 127.1 Ų | 127.1 | 89% | 0.888 | 75% | 0.75 | S | S | * | * | -166 | 80 | 123.8 | -89.5 | -22 | 0 | 0 | 0 | 109.5 | |||||
| 595 | N | 26.2 | Very low | 29.4 | Very low | 161 Ų | 161 | 130.9 Ų | 130.9 | 86% | 0.861 | 77% | 0.767 | S | S | * | * | trans | -120.4 | 109 | 161.6 | -88.1 | -13.5 | 0 | 0 | 0 | 107.4 | ||||
| 596 | L | 27.9 | Very low | 28.5 | Very low | 182 Ų | 182 | 132.5 Ų | 132.5 | 95% | 0.953 | 78% | 0.776 | S | S | * | * | trans | -169.9 | 101.1 | 148 | -101.5 | 154.2 | 0 | 0 | 0 | 109.5 | ||||
| 597 | G | 23.7 | Very low | 28.3 | Very low | 83 Ų | 83 | 134 Ų | 134 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | trans | 77.6 | 93.2 | 136.8 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 598 | G | 26.7 | Very low | 27.7 | Very low | 77 Ų | 77 | 134.5 Ų | 134.5 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | trans | -163.9 | 77.9 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | N600 | G598-N600 PolarHBondContact O-N 3.16Š| ||
| 599 | D | 25 | Very low | 27.5 | Very low | 158 Ų | 158 | 138.7 Ų | 138.7 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | trans | -44.5 | 129.4 | 173.5 | -73.5 | -42.5 | 0 | 0 | 0 | 112.4 | ||||
| 600 | N | 30.6 | Very low | 27.3 | Very low | 158 Ų | 158 | 142.1 Ų | 142.1 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | trans | -167.3 | 121.3 | 133.7 | -102 | -33.5 | 0 | 0 | 0 | 112.4 | G598 | G598-N600 PolarHBondContact O-N 3.16Š| ||
| 601 | N | 27.1 | Very low | 27.1 | Very low | 145 Ų | 145 | 139.9 Ų | 139.9 | 78% | 0.775 | 80% | 0.802 | S | S | * | * | trans | -36.6 | 138.7 | 164 | -73.7 | -42.6 | 0 | 0 | 0 | 114.1 | ||||
| 602 | N | 33.1 | Very low | 27 | Very low | 155 Ų | 155 | 143.4 Ų | 143.4 | 83% | 0.829 | 80% | 0.804 | S | S | * | * | -174.7 | 129.1 | 114.1 | -94.3 | -28.1 | 0 | 0 | 0 | 113.8 | |||||
| 603 | N | 27.7 | Very low | 27.1 | Very low | 137 Ų | 137 | 146.3 Ų | 146.3 | 73% | 0.733 | 81% | 0.808 | S | S | * | * | trans | -32 | 141.1 | 162.5 | -62.5 | -35.3 | 0 | 0 | 0 | 116 | ||||
| 604 | N | 31 | Very low | 27.1 | Very low | 140 Ų | 140 | 142.6 Ų | 142.6 | 75% | 0.749 | 80% | 0.804 | S | S | * | * | 166.5 | 120.9 | 105.9 | -91.3 | -29.7 | 0 | 0 | 0 | 113.5 | |||||
| 605 | N | 27.1 | Very low | 26.9 | Very low | 128 Ų | 128 | 140 Ų | 140 | 68% | 0.684 | 80% | 0.799 | S | S | * | * | 65.6 | 120.2 | 129.4 | -77.6 | -3.9 | 0 | 0 | 0 | 123.5 | |||||
| 606 | N | 27.7 | Very low | 26.8 | Very low | 121 Ų | 121 | 140.8 Ų | 140.8 | 65% | 0.647 | 80% | 0.797 | S | S | * | * | 105.3 | 110.7 | 125.4 | -66.7 | -10.7 | 0 | 0 | 0 | 119.9 | |||||
| 607 | N | 27 | Very low | 26.7 | Very low | 152 Ų | 152 | 140.6 Ų | 140.6 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | trans | 59.2 | 142.5 | 133.8 | -55.7 | -18.2 | 0 | 0 | 0 | 118.8 | ||||
| 608 | A | 24.5 | Very low | 26.8 | Very low | 82 Ų | 82 | 145.3 Ų | 145.3 | 68% | 0.678 | 79% | 0.791 | S | S | * | * | cis | -177.6 | 169.1 | -12.2 | 0 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 609 | E | 26.5 | Very low | 26.7 | Very low | 192 Ų | 192 | 150.3 Ų | 150.3 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | trans | 78.5 | 103.2 | 170.4 | -51.1 | 178.5 | 174.8 | 0 | 0 | 114.5 | ||||
| 610 | R | 24.8 | Very low | 26.7 | Very low | 242 Ų | 242 | 151.9 Ų | 151.9 | 91% | 0.913 | 80% | 0.796 | S | S | * | * | cis | 61.7 | 93.2 | 39.7 | -149.7 | -175.6 | -162.5 | -172 | 6 | 114.4 | ||||
| 611 | S | 25.3 | Very low | 26.6 | Very low | 113 Ų | 113 | 150.8 Ų | 150.8 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | trans | -159.7 | 118.9 | 140.7 | 58.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 612 | N | 24.8 | Very low | 26.7 | Very low | 145 Ų | 145 | 153.8 Ų | 153.8 | 78% | 0.775 | 80% | 0.796 | S | S | * | * | trans | -61 | 140.9 | 167.8 | -71.8 | -29 | 0 | 0 | 0 | 111.8 | ||||
| 613 | H | 29 | Very low | 26.4 | Very low | 194 Ų | 194 | 151.5 Ų | 151.5 | 90% | 0.898 | 79% | 0.792 | S | S | * | * | trans | -140.8 | 118.8 | 144.8 | -94.7 | -65.6 | 0 | 0 | 0 | 109.6 | ||||
| 614 | G | 24 | Very low | 26.4 | Very low | 64 Ų | 64 | 149.6 Ų | 149.6 | 66% | 0.66 | 80% | 0.795 | S | S | * | * | trans | -82.3 | 156.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 615 | S | 25 | Very low | 26.3 | Very low | 112 Ų | 112 | 149.3 Ų | 149.3 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | trans | 23.8 | 105.7 | 141.6 | 61.4 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 616 | Q | 24 | Very low | 26.6 | Very low | 177 Ų | 177 | 148.2 Ų | 148.2 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | 176.7 | 144.9 | 113.1 | -92.2 | 172.7 | 12.1 | 0 | 0 | 110.5 | |||||
| 617 | H | 26.9 | Very low | 26.9 | Very low | 178 Ų | 178 | 148 Ų | 148 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | trans | 82.1 | 75 | 173.4 | -65.2 | -63.5 | 0 | 0 | 0 | 119.6 | ||||
| 618 | Q | 24 | Very low | 27.6 | Very low | 181 Ų | 181 | 150.4 Ų | 150.4 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | -93.3 | 81.7 | 159.7 | -165.3 | 167.3 | 11.6 | 0 | 0 | 109.4 | ||||
| 619 | Q | 26 | Very low | 28.4 | Very low | 182 Ų | 182 | 151.3 Ų | 151.3 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | trans | -154.9 | 50 | 168.1 | -119.5 | 179.9 | 22.6 | 0 | 0 | 111.6 | ||||
| 620 | Q | 25.6 | Very low | 29.6 | Very low | 191 Ų | 191 | 142.8 Ų | 142.8 | 89% | 0.893 | 76% | 0.759 | S | S | * | * | trans | -146.7 | 78.2 | 160.4 | -77.5 | -167.5 | -27.3 | 0 | 0 | 108.8 | ||||
| 621 | L | 27.6 | Very low | 31.3 | Very low | 136 Ų | 136 | 138.2 Ų | 138.2 | 71% | 0.712 | 75% | 0.75 | S | S | * | * | trans | -119.3 | 146.4 | 160.1 | -79.2 | 164.3 | 0 | 0 | 0 | 106.3 | ||||
| 622 | F | 29.2 | Very low | 33.4 | Very low | 207 Ų | 207 | 133.4 Ų | 133.4 | 91% | 0.908 | 72% | 0.715 | S | S | * | * | trans | 91.6 | 54.7 | -169.3 | -42.2 | -60.4 | 0 | 0 | 0 | 115.7 | ||||
| 623 | S | 26.6 | Very low | 35.6 | Very low | 107 Ų | 107 | 128.7 Ų | 128.7 | 75% | 0.748 | 70% | 0.696 | S | S | * | * | trans | -71.1 | 125.5 | 150.2 | 63.8 | 0 | 0 | 0 | 0 | 109.1 | N625 | S623-N625 PolarHBondContact O-N 3.32Š| ||
| 624 | A | 27.7 | Very low | 37.7 | Very low | 97 Ų | 97 | 120.7 Ų | 120.7 | 80% | 0.802 | 67% | 0.666 | S | S | * | * | trans | -61.4 | 104.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | P626 | A624-P626 WeakPolarHBondContact O-CD 3.31Š| ||
| 625 | N | 28.6 | Very low | 40.6 | Very low | 134 Ų | 134 | 118 Ų | 118 | 72% | 0.717 | 64% | 0.637 | S | S | * | * | trans | -75.3 | 116.9 | 166.1 | -96.5 | -15.6 | 0 | 0 | 0 | 108.1 | S623 | S623-N625 PolarHBondContact O-N 3.32Š| ||
| 626 | P | 34.1 | Very low | 43.7 | Very low | 106 Ų | 106 | 112.8 Ų | 112.8 | 69% | 0.688 | 60% | 0.6 | S | S | * | * | trans | -78.8 | 136.4 | -178.2 | 32.4 | -31.1 | 0 | 0 | 0 | 110.4 | A624 | A624-P626 WeakPolarHBondContact O-CD 3.31Š| ||
| 627 | T | 33.6 | Very low | 46.8 | Very low | 117 Ų | 117 | 104.4 Ų | 104.4 | 72% | 0.718 | 56% | 0.561 | S | S | * | * | trans | 67.5 | 87.8 | 153.5 | -20.1 | 0 | 0 | 0 | 0 | 116.9 | P629 | T627-P629 WeakPolarHBondContact O-CD 3.46Š| ||
| 628 | Y | 41.8 | Very low | 49.9 | Very low | 202 Ų | 202 | 96.8 Ų | 96.8 | 79% | 0.792 | 53% | 0.525 | S | S | * | . | trans | -90.3 | 95.1 | 148.9 | -76.4 | -80 | 0 | 0 | 0 | 108.1 | G630 | Y628-G630 PolarHBondContact O-N 2.66Š| ||
| 629 | P | 40.4 | Very low | 53.2 | Low | 100 Ų | 100 | 88.2 Ų | 88.2 | 65% | 0.649 | 49% | 0.485 | S | S | * | . | trans | -61.1 | 122.2 | 163.8 | 26.3 | -29.2 | 0 | 0 | 0 | 107.1 | T627 M631 | T627-P629 WeakPolarHBondContact O-CD 3.46Å; P629-M631 PolarHBondContact O-N 3.45Å | ||
| 630 | G | 53.1 | Low | 56.4 | Low | 14 Ų | 14 | 79.6 Ų | 79.6 | 14% | 0.144 | 45% | 0.445 | C | S | . | . | trans | -50.9 | 131.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y628 L632 A633 | Y628-G630 PolarHBondContact O-N 2.66Å; G630-L632 PolarHBondContact O-N 3.33Å; G630-A633 WeakPolarHBondContact O-CB 3.2Å; G630-A633 PolarHBondContact O-N 2.89Å | ||
| 631 | M | 60.2 | Low | 59.5 | Low | 146 Ų | 146 | 70.5 Ų | 70.5 | 72% | 0.719 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -13.1 | -176.2 | -69 | -178.7 | 61.9 | 0 | 0 | 114.7 | P576 P629 | P576-M631 HydrophobicContact CB-CE 4.2Å; P576-M631 HydrophobicContact CG-CB 4.47Å; P629-M631 PolarHBondContact O-N 3.45Å |
| 632 | L | 70 | Confident | 62.5 | Low | 12 Ų | 12 | 65.3 Ų | 65.3 | 6% | 0.063 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | -2.6 | 178.5 | -68.5 | 172.1 | 0 | 0 | 0 | 114.1 | L575 P576 G630 G634 V635 Q664 L672 | L575-L632 HydrophobicContact CD2-CD1 4.45Å; P576-L632 HydrophobicContact CG-CD1 4.06Å; P576-L632 HydrophobicContact CG-CD2 3.64Å; P576-L632 HydrophobicContact CG-CG 3.69Å; G630-L632 PolarHBondContact O-N 3.33Å; L632-G634 PolarHBondContact O-N 3.16Å; L632-G634 VanDerWaalsContact O-N 3.13Å; L632-V635 HydrophobicContact CD2-CB 4.22Å; L632-V635 HydrophobicContact CD2-CG1 4.32Å; L632-V635 HydrophobicContact CD2-CG2 4.25Å; L632-V635 WeakPolarHBondContact O-CB 3.21Å; L632-V635 PolarHBondContact O-N 3.25Å; L632-Q664 HydrophobicContact CB-CB 4.46Å; L632-L672 HydrophobicContact CD1-CD2 3.71Å |
| 633 | A | 69.8 | Low | 65.3 | Low | 45 Ų | 45 | 56.7 Ų | 56.7 | 37% | 0.372 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | 115.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | G630 | G630-A633 WeakPolarHBondContact O-CB 3.2Å; G630-A633 PolarHBondContact O-N 2.89Å |
| 634 | G | 74.1 | Confident | 68 | Low | 26 Ų | 26 | 53 Ų | 53 | 27% | 0.268 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.2 | -8.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | S536 L632 H636 | S536-G634 PolarHBondContact N-O 3.07Å; L632-G634 PolarHBondContact O-N 3.16Å; L632-G634 VanDerWaalsContact O-N 3.13Å; G634-H636 PolarHBondContact O-ND1 2.85Å |
| 635 | V | 84.3 | Confident | 70.1 | Confident | 9 Ų | 9 | 50.3 Ų | 50.3 | 6% | 0.055 | 28% | 0.281 | C | S | . | . | trans | -76.1 | 133.4 | 176.1 | -177.5 | 0 | 0 | 0 | 0 | 110.5 | V533 V534 L541 L632 L663 | V533-V635 HydrophobicContact CG1-CG1 3.52Å; V534-V635 WeakPolarHBondContact O-CA 3.25Å; L541-V635 HydrophobicContact CD1-CB 4.38Å; L541-V635 HydrophobicContact CD1-CG1 3.74Å; L541-V635 HydrophobicContact CD1-CG2 3.73Å; L632-V635 HydrophobicContact CD2-CB 4.22Å; L632-V635 HydrophobicContact CD2-CG1 4.32Å; L632-V635 HydrophobicContact CD2-CG2 4.25Å; L632-V635 WeakPolarHBondContact O-CB 3.21Å; L632-V635 PolarHBondContact O-N 3.25Å; V635-L663 HydrophobicContact CG1-CD1 3.84Å; V635-L663 HydrophobicContact CG1-CG 4.46Å; V635-L663 PolarHBondContact O-N 2.85Å | ||
| 636 | H | 89.1 | Confident | 72 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 154.2 | -178.7 | 63.4 | -79.2 | 0 | 0 | 0 | 112.4 | V534 D535 G634 L661 R662 Y695 | V534-H636 PolarHBondContact N-O 3.3Å; V534-H636 PolarHBondContact O-N 2.96Å; V534-H636 PolarHBondContact O-ND1 3.43Å; D535-H636 PolarHBondContact O-CE1 3.06Å; G634-H636 PolarHBondContact O-ND1 2.85Å; H636-L661 CarbonylContact C-O 3.47Å; H636-L661 VanDerWaalsContact CA-O 3.31Å; H636-L661 WeakPolarHBondContact CA-O 3.14Å; H636-L661 WeakPolarHBondContact CB-O 3.46Å; H636-R662 HydrophobicContact CB-CG 4.33Å; H636-Y695 AromaticContact CD2-CE2 3.79Å; H636-Y695 AromaticContact NE2-CE2 3.34Å; H636-Y695 VanDerWaalsContact NE2-CE2 3.34Å; H636-Y695 WeakPolarHBondContact NE2-CE2 3.43Å; H636-Y695 AromaticContact NE2-CZ 3.47Å; H636-Y695 PolarHBondContact NE2-OH 3.39Å |
| 637 | L | 90.3 | Very high | 73.4 | Confident | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 127.1 | 166.9 | -80.7 | 158.8 | 0 | 0 | 0 | 109.2 | V509 V531 V533 I573 L639 Y660 L661 L663 | V509-L637 HydrophobicContact CG2-CD1 4.07Å; V531-L637 HydrophobicContact CG1-CD2 3.78Å; V533-L637 HydrophobicContact CG2-CD2 4.04Å; I573-L637 HydrophobicContact CD1-CD1 3.96Å; I573-L637 HydrophobicContact CD1-CD2 3.58Å; I573-L637 HydrophobicContact CD1-CG 4.13Å; L637-L639 HydrophobicContact CB-CD1 4.19Å; L637-Y660 CarbonylContact O-C 3.49Å; L637-Y660 WeakPolarHBondContact O-CA 3.35Å; L637-Y660 WeakPolarHBondContact O-CB 3.41Å; L637-L661 HydrophobicContact CB-CB 4.33Å; L637-L661 HydrophobicContact CD1-CD2 4.47Å; L637-L661 PolarHBondContact N-O 2.88Å; L637-L661 PolarHBondContact O-N 2.79Å; L637-L663 HydrophobicContact CD1-CD2 3.75Å; L637-L663 HydrophobicContact CG-CD2 4.05Å |
| 638 | R | 92.1 | Very high | 74.5 | Confident | 17 Ų | 17 | 44.5 Ų | 44.5 | 6% | 0.064 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 121.5 | 172.9 | -174.1 | -178.8 | 73.4 | -172 | 1.3 | 109.2 | V531 N532 V534 V658 Y695 | V531-R638 WeakPolarHBondContact CA-O 3.46Å; N532-R638 PolarHBondContact N-O 3.48Å; N532-R638 PolarHBondContact O-N 2.89Å; V534-R638 HydrophobicContact CG2-CB 3.76Å; R638-V658 HydrophobicContact CG-CG2 3.82Å; R638-Y695 VanDerWaalsContact CD-OH 3.27Å; R638-Y695 WeakPolarHBondContact CD-OH 3.39Å; R638-Y695 HydrophobicContact CG-CE1 4.42Å |
| 639 | L | 93.3 | Very high | 75.3 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 95.7 | -179.2 | -58.2 | 96.7 | 0 | 0 | 0 | 109.2 | V529 E530 V531 L637 A659 L680 L760 I762 | V529-L639 HydrophobicContact CG1-CB 4.11Å; V529-L639 HydrophobicContact CG1-CD2 4.45Å; E530-L639 CarbonylContact O-C 3.57Å; E530-L639 WeakPolarHBondContact O-CA 3.35Å; V531-L639 HydrophobicContact CG1-CD2 4.35Å; V531-L639 HydrophobicContact CG1-CG 4.23Å; V531-L639 HydrophobicContact CG2-CD2 3.82Å; V531-L639 HydrophobicContact CG2-CG 4.11Å; L637-L639 HydrophobicContact CB-CD1 4.19Å; L639-A659 HydrophobicContact CB-CB 4.25Å; L639-A659 PolarHBondContact N-O 3.07Å; L639-A659 PolarHBondContact O-N 2.8Å; L639-L680 HydrophobicContact CD1-CD1 3.8Å; L639-L760 HydrophobicContact CB-CD2 3.86Å; L639-L760 HydrophobicContact CD2-CD2 3.33Å; L639-L760 HydrophobicContact CG-CD2 4.11Å; L639-I762 HydrophobicContact CD2-CG2 3.98Å |
| 640 | L | 92.3 | Very high | 76.1 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 113.5 | -176.9 | -176.2 | 63.6 | 0 | 0 | 0 | 110.1 | E530 R642 I655 V658 M687 V690 | E530-L640 HydrophobicContact CB-CB 4.35Å; E530-L640 PolarHBondContact N-O 2.96Å; E530-L640 PolarHBondContact O-N 3.04Å; L640-R642 VanDerWaalsContact CD2-NH2 3.32Å; L640-I655 HydrophobicContact CD1-CG1 4.49Å; L640-I655 HydrophobicContact CD1-CG2 3.95Å; L640-V658 HydrophobicContact CD1-CB 4.32Å; L640-M687 HydrophobicContact CD2-CE 3.85Å; L640-M687 HydrophobicContact CD2-SD 4.24Å; L640-V690 HydrophobicContact CD1-CG1 4.28Å; L640-V690 HydrophobicContact CD1-CG2 4.44Å |
| 641 | C | 92.3 | Very high | 76.3 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 121.5 | -178.3 | -59 | 0 | 0 | 0 | 0 | 110 | F516 E528 L656 G657 | F516-C641 HydrophobicContact CE1-CB 3.65Å; F516-C641 HydrophobicContact CZ-CB 4.1Å; E528-C641 CarbonylContact O-C 3.6Å; E528-C641 WeakPolarHBondContact O-CA 3.5Å; C641-L656 HydrophobicContact CB-CB 4.18Å; C641-L656 WeakPolarHBondContact O-CB 3.48Å; C641-L656 PolarHBondContact O-N 3.45Å; C641-G657 PolarHBondContact N-O 3.43Å; C641-G657 PolarHBondContact O-N 2.77Å |
| 642 | R | 89.3 | Confident | 76.6 | Confident | 28 Ų | 28 | 42 Ų | 42 | 11% | 0.106 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 145.7 | 178.3 | -67.8 | -164.2 | -179.7 | 89.9 | -13.8 | 112.2 | V527 E528 E530 L640 E652 I655 | V527-R642 WeakPolarHBondContact CA-O 3.47Å; E528-R642 PolarHBondContact N-O 3.27Å; E528-R642 PolarHBondContact O-N 2.84Å; E530-R642 IonicContact OE2-CZ 3.63Å; E530-R642 IonicContact OE2-NH1 3.48Å; E530-R642 PolarHBondContact OE2-NH1 3.44Å; E530-R642 IonicContact OE2-NH2 2.65Å; L640-R642 VanDerWaalsContact CD2-NH2 3.32Å; R642-E652 WeakPolarHBondContact CD-O 3.48Å; R642-I655 HydrophobicContact CG-CG1 4.2Å |
| 643 | H | 87.5 | Confident | 76.7 | Confident | 25 Ų | 25 | 42.3 Ų | 42.3 | 12% | 0.116 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 120.3 | 166.5 | 176.7 | 53.2 | 0 | 0 | 0 | 110.4 | H525 N526 G653 K654 L656 | H525-H643 AromaticContact ND1-CG 3.61Å; H525-H643 AromaticContact ND1-ND1 3.61Å; N526-H643 PolarHBondContact N-CE1 2.59Å; N526-H643 PolarHBondContact N-ND1 2.92Å; N526-H643 VanDerWaalsContact N-ND1 3.12Å; N526-H643 CarbonylContact O-C 3.6Å; N526-H643 VanDerWaalsContact O-CA 3.28Å; N526-H643 WeakPolarHBondContact O-CA 3.4Å; N526-H643 PolarHBondContact O-ND1 3.17Å; H643-G653 CarbonylContact O-C 3.5Å; H643-G653 VanDerWaalsContact O-CA 3.25Å; H643-G653 WeakPolarHBondContact O-CA 3.5Å; H643-K654 HydrophobicContact CB-CB 4.41Å; H643-K654 WeakPolarHBondContact CB-O 3.31Å; H643-K654 PolarHBondContact N-O 2.89Å; H643-K654 PolarHBondContact O-N 2.78Å; H643-L656 HydrophobicContact CB-CD1 4.1Å; H643-L656 HydrophobicContact CB-CD2 3.95Å; H643-L656 HydrophobicContact CB-CG 3.97Å |
| 644 | R | 83.8 | Confident | 77.3 | Confident | 29 Ų | 29 | 46.8 Ų | 46.8 | 11% | 0.109 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -91.5 | 121.4 | 174.1 | -64.4 | -64.2 | -168.6 | 179.2 | -2.4 | 110.1 | M325 L353 N526 E528 V558 S651 E652 | M325-R644 HydrophobicContact CE-CB 3.76Å; M325-R644 WeakPolarHBondContact CE-O 3.43Å; L353-R644 HydrophobicContact CD1-CB 4.17Å; L353-R644 HydrophobicContact CD2-CB 4.18Å; L353-R644 HydrophobicContact CD2-CG 3.66Å; N526-R644 HydrophobicContact CB-CB 4.47Å; N526-R644 WeakPolarHBondContact CB-O 3.01Å; N526-R644 PolarHBondContact ND2-O 2.99Å; N526-R644 PolarHBondContact O-N 3.41Å; E528-R644 HydrophobicContact CB-CG 4.01Å; E528-R644 IonicContact OE1-NE 3.61Å; E528-R644 IonicContact OE1-NH2 3.19Å; E528-R644 IonicContact OE2-CZ 3.23Å; E528-R644 IonicContact OE2-NE 3.44Å; E528-R644 PolarHBondContact OE2-NE 3.23Å; E528-R644 IonicContact OE2-NH2 3.24Å; E528-R644 PolarHBondContact OE2-NH2 2.85Å; V558-R644 HydrophobicContact CG1-CB 4.48Å; R644-S651 PolarHBondContact NH1-O 2.78Å; R644-E652 PolarHBondContact NH1-O 2.74Å |
| 645 | S | 71.7 | Confident | 78 | Confident | 41 Ų | 41 | 47.5 Ų | 47.5 | 29% | 0.287 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -76 | 152.7 | 177.4 | -170.4 | 0 | 0 | 0 | 0 | 110.9 | M325 G647 D650 | M325-S645 VanDerWaalsContact CE-O 3.24Å; M325-S645 WeakPolarHBondContact CE-O 3.38Å; S645-G647 PolarHBondContact OG-N 3.23Å; S645-D650 WeakPolarHBondContact CB-OD2 3.33Å |
| 646 | T | 67.9 | Low | 78.1 | Confident | 54 Ų | 54 | 48.2 Ų | 48.2 | 33% | 0.331 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -82.7 | -18.6 | 172.6 | 49.4 | 0 | 0 | 0 | 0 | 112.7 | M325 H326 Y560 | M325-T646 HydrophobicContact CB-CG2 4.47Å; M325-T646 HydrophobicContact CE-CG2 4.2Å; M325-T646 HydrophobicContact CG-CG2 3.52Å; M325-T646 HydrophobicContact SD-CG2 4.37Å; H326-T646 WeakPolarHBondContact NE2-CG2 3.28Å; Y560-T646 HydrophobicContact CD2-CG2 4.33Å; Y560-T646 HydrophobicContact CE2-CG2 3.61Å |
| 647 | G | 65.2 | Low | 78.2 | Confident | 38 Ų | 38 | 48.2 Ų | 48.2 | 39% | 0.392 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -78.8 | 142.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | S645 G649 | S645-G647 PolarHBondContact OG-N 3.23Å; G647-G649 PolarHBondContact O-N 3.31Å; G647-G649 VanDerWaalsContact O-N 3.15Å |
| 648 | P | 55.8 | Low | 78.3 | Confident | 144 Ų | 144 | 48.1 Ų | 48.1 | 94% | 0.935 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | 109.1 | 170.2 | 28.2 | -31.3 | 0 | 0 | 0 | 109.1 | ||
| 649 | G | 59.7 | Low | 78.4 | Confident | 72 Ų | 72 | 47.3 Ų | 47.3 | 74% | 0.742 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 151.8 | -26.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | G647 S651 | G647-G649 PolarHBondContact O-N 3.31Å; G647-G649 VanDerWaalsContact O-N 3.15Å; G649-S651 PolarHBondContact O-N 2.96Å |
| 650 | D | 56.1 | Low | 78.4 | Confident | 109 Ų | 109 | 47.7 Ų | 47.7 | 58% | 0.583 | 29% | 0.285 | S | S | * | . | trans | -99.4 | 74.3 | -179.7 | -73.8 | -27.1 | 0 | 0 | 0 | 111.3 | S645 E652 | S645-D650 WeakPolarHBondContact CB-OD2 3.33Å; D650-E652 VanDerWaalsContact C-N 3.35Å; D650-E652 PolarHBondContact O-N 2.74Å | ||
| 651 | S | 57.5 | Low | 78.3 | Confident | 66 Ų | 66 | 47.8 Ų | 47.8 | 46% | 0.462 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -67.8 | -30.6 | 180 | 49.6 | 0 | 0 | 0 | 0 | 113.7 | R644 G649 | R644-S651 PolarHBondContact NH1-O 2.78Å; G649-S651 PolarHBondContact O-N 2.96Å |
| 652 | E | 66.7 | Low | 78.2 | Confident | 163 Ų | 163 | 52.2 Ų | 52.2 | 76% | 0.762 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -84 | -23.5 | -175.9 | -67.8 | -165.8 | 160.6 | 0 | 0 | 114.3 | R642 R644 D650 | R642-E652 WeakPolarHBondContact CD-O 3.48Å; R644-E652 PolarHBondContact NH1-O 2.74Å; D650-E652 VanDerWaalsContact C-N 3.35Å; D650-E652 PolarHBondContact O-N 2.74Å |
| 653 | G | 71.2 | Confident | 77.9 | Confident | 17 Ų | 17 | 50.9 Ų | 50.9 | 18% | 0.175 | 30% | 0.297 | C | S | . | . | trans | 70.1 | 144.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | H643 | H643-G653 CarbonylContact O-C 3.5Å; H643-G653 VanDerWaalsContact O-CA 3.25Å; H643-G653 WeakPolarHBondContact O-CA 3.5Å | ||
| 654 | K | 84.1 | Confident | 77.7 | Confident | 140 Ų | 140 | 50.4 Ų | 50.4 | 61% | 0.609 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80 | 128.8 | -178.6 | 179.3 | 175.9 | -179.5 | 172 | 0 | 110.8 | H643 L656 | H643-K654 HydrophobicContact CB-CB 4.41Å; H643-K654 WeakPolarHBondContact CB-O 3.31Å; H643-K654 PolarHBondContact N-O 2.89Å; H643-K654 PolarHBondContact O-N 2.78Å; K654-L656 PolarHBondContact O-N 2.94Å |
| 655 | I | 87.4 | Confident | 77.2 | Confident | 41 Ų | 41 | 51.9 Ų | 51.9 | 21% | 0.21 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 130.7 | 178 | -64.8 | 163.7 | 0 | 0 | 0 | 110.7 | L640 R642 M687 | L640-I655 HydrophobicContact CD1-CG1 4.49Å; L640-I655 HydrophobicContact CD1-CG2 3.95Å; R642-I655 HydrophobicContact CG-CG1 4.2Å; I655-M687 HydrophobicContact CD1-CB 4.28Å; I655-M687 HydrophobicContact CD1-CE 3.92Å; I655-M687 HydrophobicContact CD1-CG 3.23Å; I655-M687 HydrophobicContact CD1-SD 3.25Å; I655-M687 WeakPolarHBondContact CD1-SD 3.42Å |
| 656 | L | 87.6 | Confident | 77 | Confident | 24 Ų | 24 | 52.4 Ų | 52.4 | 13% | 0.126 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | -34.2 | 174.9 | -65.5 | 175 | 0 | 0 | 0 | 111.4 | F516 H525 V527 C641 H643 K654 | F516-L656 HydrophobicContact CD1-CD1 4.17Å; F516-L656 HydrophobicContact CE1-CD1 4.46Å; H525-L656 HydrophobicContact CB-CD1 4.18Å; V527-L656 HydrophobicContact CG1-CD1 4.24Å; V527-L656 HydrophobicContact CG2-CD1 3.89Å; C641-L656 HydrophobicContact CB-CB 4.18Å; C641-L656 WeakPolarHBondContact O-CB 3.48Å; C641-L656 PolarHBondContact O-N 3.45Å; H643-L656 HydrophobicContact CB-CD1 4.1Å; H643-L656 HydrophobicContact CB-CD2 3.95Å; H643-L656 HydrophobicContact CB-CG 3.97Å; K654-L656 PolarHBondContact O-N 2.94Å |
| 657 | G | 90.5 | Very high | 76.8 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 162.8 | 180 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | C641 H683 | C641-G657 PolarHBondContact N-O 3.43Å; C641-G657 PolarHBondContact O-N 2.77Å; G657-H683 CarbonylContact C-O 3.56Å; G657-H683 WeakPolarHBondContact CA-O 3.27Å |
| 658 | V | 93.4 | Very high | 77 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 131.3 | 178.8 | 63.3 | 0 | 0 | 0 | 0 | 109.8 | R638 L640 H683 M685 V690 Y695 | R638-V658 HydrophobicContact CG-CG2 3.82Å; L640-V658 HydrophobicContact CD1-CB 4.32Å; V658-H683 HydrophobicContact CG1-CB 4.37Å; V658-H683 PolarHBondContact N-O 2.96Å; V658-H683 PolarHBondContact O-N 3.42Å; V658-M685 HydrophobicContact CG1-CB 4.39Å; V658-M685 HydrophobicContact CG1-CG 4.45Å; V658-M685 HydrophobicContact CG1-SD 4.3Å; V658-V690 HydrophobicContact CB-CG2 4.1Å; V658-V690 HydrophobicContact CG1-CG2 3.96Å; V658-V690 HydrophobicContact CG2-CG1 4.4Å; V658-Y695 HydrophobicContact CB-CD1 4.47Å; V658-Y695 HydrophobicContact CG1-CD1 3.75Å; V658-Y695 HydrophobicContact CG1-CG 3.92Å; V658-Y695 HydrophobicContact CG2-CD1 3.93Å; V658-Y695 HydrophobicContact CG2-CE1 4.09Å; V658-Y695 HydrophobicContact CG2-CG 4.26Å |
| 659 | A | 93.8 | Very high | 77.7 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 157.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109 | L639 L680 Y681 I682 | L639-A659 HydrophobicContact CB-CB 4.25Å; L639-A659 PolarHBondContact N-O 3.07Å; L639-A659 PolarHBondContact O-N 2.8Å; A659-L680 HydrophobicContact CB-CB 4.01Å; A659-L680 HydrophobicContact CB-CD1 4.26Å; A659-Y681 WeakPolarHBondContact CB-O 3.39Å; A659-I682 HydrophobicContact CB-CG1 4.24Å |
| 660 | Y | 93 | Very high | 78.4 | Confident | 9 Ų | 9 | 48.5 Ų | 48.5 | 4% | 0.035 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 155.6 | 179.6 | 79.9 | -83.6 | 0 | 0 | 0 | 112.3 | L637 R662 Y695 L696 Q698 S700 | L637-Y660 CarbonylContact O-C 3.49Å; L637-Y660 WeakPolarHBondContact O-CA 3.35Å; L637-Y660 WeakPolarHBondContact O-CB 3.41Å; Y660-R662 HydrophobicContact CD2-CG 4.41Å; Y660-R662 HydrophobicContact CE2-CG 4.07Å; Y660-Y695 AromaticContact CD1-CD2 3.62Å; Y660-Y695 HydrophobicContact CD1-CD2 3.62Å; Y660-Y695 HydrophobicContact CD1-CE2 4.42Å; Y660-Y695 HydrophobicContact CD1-CG 4.44Å; Y660-Y695 HydrophobicContact CD2-CD2 4.47Å; Y660-Y695 HydrophobicContact CE1-CD2 4.31Å; Y660-Y695 WeakPolarHBondContact CE1-O 3.43Å; Y660-Y695 AromaticContact CG-CD2 3.7Å; Y660-Y695 HydrophobicContact CG-CD2 3.7Å; Y660-Y695 HydrophobicContact CG-CE2 4.06Å; Y660-L696 HydrophobicContact CD2-CD2 3.59Å; Y660-L696 HydrophobicContact CE2-CD2 3.62Å; Y660-L696 HydrophobicContact CG-CD2 4.23Å; Y660-Q698 WeakPolarHBondContact CE1-O 3.24Å; Y660-Q698 VanDerWaalsContact CZ-O 3.31Å; Y660-Q698 PolarHBondContact OH-O 3.35Å; Y660-S700 VanDerWaalsContact O-CB 3.3Å; Y660-S700 WeakPolarHBondContact O-CB 3.28Å |
| 661 | L | 90.9 | Very high | 79.4 | Confident | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.016 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 122 | 175.8 | 176.6 | 64.5 | 0 | 0 | 0 | 109.9 | H636 L637 L673 Y678 L680 Y701 I762 T764 | H636-L661 CarbonylContact C-O 3.47Å; H636-L661 VanDerWaalsContact CA-O 3.31Å; H636-L661 WeakPolarHBondContact CA-O 3.14Å; H636-L661 WeakPolarHBondContact CB-O 3.46Å; L637-L661 HydrophobicContact CB-CB 4.33Å; L637-L661 HydrophobicContact CD1-CD2 4.47Å; L637-L661 PolarHBondContact N-O 2.88Å; L637-L661 PolarHBondContact O-N 2.79Å; L661-L673 HydrophobicContact CD2-CD1 3.87Å; L661-L673 HydrophobicContact CG-CD1 4.46Å; L661-Y678 HydrophobicContact CD1-CD1 4.06Å; L661-Y678 HydrophobicContact CD1-CE1 4.24Å; L661-Y678 HydrophobicContact CD1-CG 4.45Å; L661-Y678 HydrophobicContact CD2-CD2 4.45Å; L661-Y678 HydrophobicContact CD2-CG 4.49Å; L661-L680 HydrophobicContact CB-CD1 4.25Å; L661-L680 HydrophobicContact CB-CD2 4.23Å; L661-L680 HydrophobicContact CD1-CD2 4.27Å; L661-Y701 HydrophobicContact CD1-CD1 4.34Å; L661-Y701 HydrophobicContact CD1-CE1 3.9Å; L661-I762 HydrophobicContact CB-CD1 4.35Å; L661-I762 HydrophobicContact CD2-CD1 3.49Å; L661-I762 VanDerWaalsContact CD2-CD1 3.49Å; L661-T764 HydrophobicContact CD2-CG2 3.93Å |
| 662 | R | 88.2 | Confident | 80.5 | Confident | 94 Ų | 94 | 41.3 Ų | 41.3 | 36% | 0.355 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 133 | 178.3 | -64 | -177.3 | -178.4 | -143.9 | 1.4 | 110 | H636 Y660 L696 | H636-R662 HydrophobicContact CB-CG 4.33Å; Y660-R662 HydrophobicContact CD2-CG 4.41Å; Y660-R662 HydrophobicContact CE2-CG 4.07Å; R662-L696 PolarHBondContact NH2-O 3.44Å |
| 663 | L | 84.6 | Confident | 81.3 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -75.5 | -30.9 | 179 | -63.5 | -172.7 | 0 | 0 | 0 | 112.6 | L507 V533 V635 L637 L672 L673 | L507-L663 HydrophobicContact CD2-CD2 3.57Å; V533-L663 HydrophobicContact CG1-CD1 4.47Å; V635-L663 HydrophobicContact CG1-CD1 3.84Å; V635-L663 HydrophobicContact CG1-CG 4.46Å; V635-L663 PolarHBondContact O-N 2.85Å; L637-L663 HydrophobicContact CD1-CD2 3.75Å; L637-L663 HydrophobicContact CG-CD2 4.05Å; L663-L672 WeakPolarHBondContact O-CA 3.39Å; L663-L673 HydrophobicContact CB-CD2 4.33Å; L663-L673 HydrophobicContact CD2-CD2 3.7Å; L663-L673 PolarHBondContact O-N 3.49Å |
| 664 | Q | 82.1 | Confident | 81.7 | Confident | 15 Ų | 15 | 35.2 Ų | 35.2 | 7% | 0.07 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -125.8 | 92.2 | 174.2 | -162 | -169.5 | -52.4 | 0 | 0 | 108.1 | L632 N666 V671 | L632-Q664 HydrophobicContact CB-CB 4.46Å; Q664-N666 VanDerWaalsContact C-N 3.33Å; Q664-N666 PolarHBondContact NE2-O 3.27Å; Q664-N666 PolarHBondContact O-N 3.4Å; Q664-V671 WeakPolarHBondContact CG-O 3.45Å |
| 665 | P | 72.9 | Confident | 81.6 | Confident | 60 Ų | 60 | 31.2 Ų | 31.2 | 39% | 0.39 | 18% | 0.177 | S | C | . | . | trans | -63.5 | -38.2 | -175.2 | -22 | 32.4 | 0 | 0 | 0 | 112.9 | L673 | P665-L673 HydrophobicContact CG-CB 4.27Š| ||
| 666 | N | 67.5 | Low | 81.3 | Confident | 51 Ų | 51 | 30.1 Ų | 30.1 | 27% | 0.273 | 18% | 0.175 | S | C | . | . | trans | -95.2 | 129.3 | -178.5 | -166.7 | -6.3 | 0 | 0 | 0 | 111.3 | Q664 S668 | Q664-N666 VanDerWaalsContact C-N 3.33Å; Q664-N666 PolarHBondContact NE2-O 3.27Å; Q664-N666 PolarHBondContact O-N 3.4Å; N666-S668 PolarHBondContact ND2-OG 2.81Å; N666-S668 PolarHBondContact OD1-N 2.84Å; N666-S668 PolarHBondContact OD1-OG 3.41Å | ||
| 667 | T | 65 | Low | 81 | Confident | 113 Ų | 113 | 31.7 Ų | 31.7 | 69% | 0.693 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -87.3 | -20.7 | 178.4 | 53.7 | 0 | 0 | 0 | 0 | 113.3 | ||
| 668 | S | 68.2 | Low | 80.8 | Confident | 77 Ų | 77 | 31.8 Ų | 31.8 | 54% | 0.538 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -86 | -29.8 | -176.5 | 64.1 | 0 | 0 | 0 | 0 | 113.6 | N666 Y786 | N666-S668 PolarHBondContact ND2-OG 2.81Å; N666-S668 PolarHBondContact OD1-N 2.84Å; N666-S668 PolarHBondContact OD1-OG 3.41Å; S668-Y786 PolarHBondContact O-OH 2.77Å |
| 669 | V | 71.7 | Confident | 80.6 | Confident | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.018 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -123.9 | 128.3 | 178.3 | -165.7 | 0 | 0 | 0 | 0 | 108.8 | V671 E775 T778 K779 Y786 | V669-V671 HydrophobicContact CB-CG2 3.98Å; V669-V671 HydrophobicContact CG1-CG2 3.59Å; V669-V671 PolarHBondContact O-N 2.8Å; V669-E775 HydrophobicContact CB-CG 4.15Å; V669-E775 HydrophobicContact CG1-CG 3.96Å; V669-E775 HydrophobicContact CG2-CG 4.15Å; V669-T778 HydrophobicContact CG1-CG2 3.78Å; V669-K779 HydrophobicContact CG1-CG 4.4Å; V669-Y786 HydrophobicContact CG2-CE1 4.12Å |
| 670 | P | 73.4 | Confident | 80.6 | Confident | 34 Ų | 34 | 36 Ų | 36 | 22% | 0.221 | 20% | 0.204 | C | C | . | . | trans | -77.6 | 67.5 | -174.7 | 32.4 | -35.9 | 0 | 0 | 0 | 112.5 | T778 L782 | P670-T778 HydrophobicContact CG-CG2 3.96Å; P670-L782 HydrophobicContact CG-CD1 4Å | ||
| 671 | V | 77.5 | Confident | 80.4 | Confident | 13 Ų | 13 | 38.9 Ų | 38.9 | 8% | 0.079 | 22% | 0.215 | C | C | . | . | trans | -108.9 | 130.9 | -178.4 | -166.3 | 0 | 0 | 0 | 0 | 110 | Q664 V669 T773 E775 | Q664-V671 WeakPolarHBondContact CG-O 3.45Å; V669-V671 HydrophobicContact CB-CG2 3.98Å; V669-V671 HydrophobicContact CG1-CG2 3.59Å; V669-V671 PolarHBondContact O-N 2.8Å; V671-T773 VanDerWaalsContact CG1-C 3.43Å; V671-E775 HydrophobicContact CG2-CB 3.92Å; V671-E775 HydrophobicContact CG2-CG 4.06Å | ||
| 672 | L | 81.9 | Confident | 80.4 | Confident | 10 Ų | 10 | 39.1 Ų | 39.1 | 5% | 0.052 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -69 | 161.8 | 173 | -75.4 | -176.5 | 0 | 0 | 0 | 111.5 | L575 L632 L663 V766 H771 T772 T773 | L575-L672 HydrophobicContact CD1-CD1 3.81Å; L632-L672 HydrophobicContact CD1-CD2 3.71Å; L663-L672 WeakPolarHBondContact O-CA 3.39Å; L672-V766 HydrophobicContact CB-CG2 4.46Å; L672-V766 HydrophobicContact CD1-CG1 3.77Å; L672-V766 HydrophobicContact CD1-CG2 3.95Å; L672-H771 HydrophobicContact CD1-CB 3.38Å; L672-H771 HydrophobicContact CG-CB 4.1Å; L672-T772 PolarHBondContact N-O 3.04Å; L672-T772 VanDerWaalsContact N-O 3.14Å; L672-T773 HydrophobicContact CB-CG2 4.49Å |
| 673 | L | 83.4 | Confident | 80.5 | Confident | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -54.2 | 146.2 | 172.1 | 73.1 | 133.3 | 0 | 0 | 0 | 112 | L507 L661 L663 P665 Y678 T764 T773 | L507-L673 HydrophobicContact CD2-CD2 4.21Å; L661-L673 HydrophobicContact CD2-CD1 3.87Å; L661-L673 HydrophobicContact CG-CD1 4.46Å; L663-L673 HydrophobicContact CB-CD2 4.33Å; L663-L673 HydrophobicContact CD2-CD2 3.7Å; L663-L673 PolarHBondContact O-N 3.49Å; P665-L673 HydrophobicContact CG-CB 4.27Å; L673-Y678 HydrophobicContact CD1-CE2 3.86Å; L673-T764 HydrophobicContact CD1-CG2 3.85Å; L673-T764 VanDerWaalsContact CD1-OG1 3.25Å; L673-T764 WeakPolarHBondContact CD1-OG1 3.39Å; L673-T773 WeakPolarHBondContact O-CG2 3.29Å |
| 674 | P | 78.6 | Confident | 80.7 | Confident | 51 Ų | 51 | 42.7 Ų | 42.7 | 33% | 0.331 | 24% | 0.235 | S | C | . | . | P | Polyproline II helix | trans | -56.7 | 149.4 | 172.1 | -20.6 | 28.4 | 0 | 0 | 0 | 112.8 | Y678 T764 | P674-Y678 WeakPolarHBondContact CB-OH 3.48Å; P674-Y678 WeakPolarHBondContact CD-OH 3.44Å; P674-Y678 PolarHBondContact O-OH 3.04Å; P674-T764 PolarHBondContact O-OG1 2.91Å |
| 675 | D | 81.3 | Confident | 80.9 | Confident | 56 Ų | 56 | 43.5 Ų | 43.5 | 30% | 0.299 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -75.2 | 133.3 | 168.3 | -65.2 | -29.9 | 0 | 0 | 0 | 109.1 | T764 L765 V766 | D675-T764 WeakPolarHBondContact CA-O 3.42Å; D675-L765 HydrophobicContact CB-CD1 4.43Å; D675-L765 WeakPolarHBondContact OD1-CA 3.38Å; D675-V766 WeakPolarHBondContact OD1-CB 3.24Å; D675-V766 WeakPolarHBondContact OD1-CG2 3.45Å; D675-V766 PolarHBondContact OD1-N 3.26Å |
| 676 | G | 81.3 | Confident | 81.6 | Confident | 17 Ų | 17 | 44.3 Ų | 44.3 | 18% | 0.175 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 159.5 | -173 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y678 Q763 T764 | G676-Y678 WeakPolarHBondContact O-CD2 3.32Å; G676-Q763 CarbonylContact O-C 3.59Å; G676-Q763 VanDerWaalsContact O-CA 3.31Å; G676-Q763 WeakPolarHBondContact O-CA 3.49Å; G676-T764 PolarHBondContact N-O 2.73Å; G676-T764 VanDerWaalsContact N-O 3.09Å; G676-T764 PolarHBondContact O-N 3.36Å |
| 677 | D | 82 | Confident | 82.4 | Confident | 58 Ų | 58 | 45 Ų | 45 | 31% | 0.31 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 133.2 | 178.2 | -69 | -20 | 0 | 0 | 0 | 110.5 | H761 Q763 | D677-H761 IonicContact OD1-NE2 3.31Å; D677-Q763 WeakPolarHBondContact OD1-CB 3.4Å; D677-Q763 VanDerWaalsContact OD1-CG 3.27Å; D677-Q763 WeakPolarHBondContact OD1-CG 3.25Å; D677-Q763 PolarHBondContact OD1-NE2 3.19Å |
| 678 | Y | 87.3 | Confident | 83.3 | Confident | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.008 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 121.5 | -177.7 | -68.3 | -89.6 | 0 | 0 | 0 | 110.8 | L661 L673 P674 G676 Y701 H761 I762 T764 | L661-Y678 HydrophobicContact CD1-CD1 4.06Å; L661-Y678 HydrophobicContact CD1-CE1 4.24Å; L661-Y678 HydrophobicContact CD1-CG 4.45Å; L661-Y678 HydrophobicContact CD2-CD2 4.45Å; L661-Y678 HydrophobicContact CD2-CG 4.49Å; L673-Y678 HydrophobicContact CD1-CE2 3.86Å; P674-Y678 WeakPolarHBondContact CB-OH 3.48Å; P674-Y678 WeakPolarHBondContact CD-OH 3.44Å; P674-Y678 PolarHBondContact O-OH 3.04Å; G676-Y678 WeakPolarHBondContact O-CD2 3.32Å; Y678-Y701 HydrophobicContact CD1-CD1 4.03Å; Y678-Y701 HydrophobicContact CD1-CD2 4.43Å; Y678-Y701 AromaticContact CD1-CE1 3.84Å; Y678-Y701 HydrophobicContact CD1-CE1 3.84Å; Y678-Y701 HydrophobicContact CD1-CE2 4.26Å; Y678-Y701 HydrophobicContact CD1-CG 4.35Å; Y678-Y701 AromaticContact CD1-CZ 3.98Å; Y678-Y701 AromaticContact CE1-CE1 3.98Å; Y678-Y701 HydrophobicContact CE1-CE1 3.98Å; Y678-Y701 HydrophobicContact CE1-CE2 4.26Å; Y678-Y701 AromaticContact CE1-CZ 3.8Å; Y678-H761 WeakPolarHBondContact O-CA 3.31Å; Y678-I762 PolarHBondContact N-O 3.27Å; Y678-I762 PolarHBondContact O-N 3.39Å; Y678-T764 HydrophobicContact CD2-CG2 4.34Å; Y678-T764 HydrophobicContact CE2-CG2 4.46Å; Y678-T764 WeakPolarHBondContact CE2-OG1 3.39Å |
| 679 | H | 89.3 | Confident | 84.3 | Confident | 89 Ų | 89 | 44.9 Ų | 44.9 | 41% | 0.412 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 88.1 | 171.5 | -68.2 | -64.8 | 0 | 0 | 0 | 110.5 | Y701 L760 H761 | H679-Y701 VanDerWaalsContact O-CB 3.26Å; H679-Y701 WeakPolarHBondContact O-CB 3.36Å; H679-L760 CarbonylContact C-O 3.59Å; H679-H761 AromaticContact CE1-CD2 3.56Å; H679-H761 AromaticContact CE1-CE1 3.94Å; H679-H761 AromaticContact CE1-CG 3.51Å; H679-H761 AromaticContact CE1-ND1 3.75Å; H679-H761 AromaticContact CE1-NE2 3.86Å; H679-H761 AromaticContact ND1-CD2 3.76Å; H679-H761 AromaticContact ND1-CG 3.7Å |
| 680 | L | 92 | Very high | 85 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 136.9 | -177.7 | -51.9 | -177.9 | 0 | 0 | 0 | 111.9 | L639 A659 L661 S700 Y701 T759 L760 I762 | L639-L680 HydrophobicContact CD1-CD1 3.8Å; A659-L680 HydrophobicContact CB-CB 4.01Å; A659-L680 HydrophobicContact CB-CD1 4.26Å; L661-L680 HydrophobicContact CB-CD1 4.25Å; L661-L680 HydrophobicContact CB-CD2 4.23Å; L661-L680 HydrophobicContact CD1-CD2 4.27Å; L680-S700 CarbonylContact C-O 3.6Å; L680-S700 VanDerWaalsContact CA-O 3.28Å; L680-S700 WeakPolarHBondContact CA-O 3.46Å; L680-Y701 HydrophobicContact CD2-CD1 4Å; L680-T759 CarbonylContact O-C 3.59Å; L680-T759 VanDerWaalsContact O-CA 3.24Å; L680-T759 WeakPolarHBondContact O-CA 3.5Å; L680-L760 HydrophobicContact CB-CB 4.36Å; L680-L760 PolarHBondContact N-O 2.99Å; L680-L760 PolarHBondContact O-N 3.11Å; L680-I762 HydrophobicContact CD1-CD1 3.58Å; L680-I762 HydrophobicContact CD1-CG1 4.08Å; L680-I762 HydrophobicContact CG-CD1 4.18Å; L680-I762 HydrophobicContact CG-CG1 4.24Å |
| 681 | Y | 90.5 | Very high | 85.6 | Confident | 68 Ų | 68 | 47.3 Ų | 47.3 | 27% | 0.267 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 136 | 169.9 | -65.4 | -53.8 | 0 | 0 | 0 | 111.2 | A659 S700 C702 M757 T759 | A659-Y681 WeakPolarHBondContact CB-O 3.39Å; Y681-S700 PolarHBondContact N-O 3.45Å; Y681-C702 HydrophobicContact CE2-CB 4.38Å; Y681-C702 WeakPolarHBondContact OH-CB 3.49Å; Y681-M757 HydrophobicContact CD1-CB 4.43Å; Y681-T759 HydrophobicContact CD1-CG2 4.05Å; Y681-T759 HydrophobicContact CE1-CG2 4.35Å |
| 682 | I | 90.8 | Very high | 85.9 | Confident | 8 Ų | 8 | 50 Ų | 50 | 4% | 0.041 | 26% | 0.26 | C | S | . | . | trans | -97.3 | 110.4 | 177.2 | -55.9 | 176.2 | 0 | 0 | 0 | 108.9 | F516 A659 D758 L760 | F516-I682 HydrophobicContact CD1-CD1 4.05Å; F516-I682 HydrophobicContact CE1-CD1 3.39Å; F516-I682 HydrophobicContact CE2-CD1 4.44Å; F516-I682 HydrophobicContact CZ-CD1 3.61Å; A659-I682 HydrophobicContact CB-CG1 4.24Å; I682-D758 HydrophobicContact CB-CB 3.89Å; I682-D758 WeakPolarHBondContact CB-O 3.16Å; I682-D758 HydrophobicContact CD1-CB 4.16Å; I682-D758 HydrophobicContact CG1-CB 4.44Å; I682-D758 HydrophobicContact CG2-CB 4.44Å; I682-D758 PolarHBondContact N-O 3.37Å; I682-L760 HydrophobicContact CD1-CB 4.08Å; I682-L760 HydrophobicContact CD1-CD1 4.46Å; I682-L760 HydrophobicContact CG1-CB 4.12Å | ||
| 683 | H | 89.9 | Confident | 86.2 | Confident | 29 Ų | 29 | 49.9 Ų | 49.9 | 13% | 0.134 | 26% | 0.26 | C | S | . | . | B | Isolated β-bridge | trans | -90.3 | 123.6 | -177.3 | -62.6 | -68.3 | 0 | 0 | 0 | 111.2 | G657 V658 M685 Q698 P699 | G657-H683 CarbonylContact C-O 3.56Å; G657-H683 WeakPolarHBondContact CA-O 3.27Å; V658-H683 HydrophobicContact CG1-CB 4.37Å; V658-H683 PolarHBondContact N-O 2.96Å; V658-H683 PolarHBondContact O-N 3.42Å; H683-M685 HydrophobicContact CB-CE 4.23Å; H683-M685 HydrophobicContact CB-CG 4.5Å; H683-M685 PolarHBondContact O-N 2.77Å; H683-Q698 VanDerWaalsContact CE1-CB 3.47Å; H683-Q698 WeakPolarHBondContact CE1-CB 3.36Å; H683-P699 PolarHBondContact CE1-O 2.95Å; H683-P699 PolarHBondContact NE2-O 3.2Å |
| 684 | K | 87.7 | Confident | 86.3 | Confident | 141 Ų | 141 | 57.3 Ų | 57.3 | 61% | 0.613 | 29% | 0.288 | S | S | * | . | trans | -76.2 | 107.4 | 177.5 | -68.4 | 178.5 | 177.6 | 165.4 | 0 | 109.5 | S517 D758 | S517-K684 PolarHBondContact OG-NZ 3.06Å; K684-D758 WeakPolarHBondContact CE-OD2 3.4Å; K684-D758 IonicContact NZ-OD2 3.71Å; K684-D758 PolarHBondContact NZ-OD2 3.38Å | ||
| 685 | M | 87.1 | Confident | 86.8 | Confident | 32 Ų | 32 | 54.9 Ų | 54.9 | 16% | 0.158 | 27% | 0.272 | C | S | . | . | trans | -138.3 | 153.6 | -178.6 | -66.9 | -167.8 | 177.3 | 0 | 0 | 111.2 | V658 H683 Q689 V690 R694 Q698 | V658-M685 HydrophobicContact CG1-CB 4.39Å; V658-M685 HydrophobicContact CG1-CG 4.45Å; V658-M685 HydrophobicContact CG1-SD 4.3Å; H683-M685 HydrophobicContact CB-CE 4.23Å; H683-M685 HydrophobicContact CB-CG 4.5Å; H683-M685 PolarHBondContact O-N 2.77Å; M685-Q689 HydrophobicContact CB-CB 4.08Å; M685-Q689 HydrophobicContact SD-CB 4.33Å; M685-V690 HydrophobicContact CB-CG2 3.99Å; M685-R694 HydrophobicContact SD-CB 4.44Å; M685-Q698 HydrophobicContact CE-CG 3.74Å | ||
| 686 | D | 86.6 | Confident | 87.1 | Confident | 77 Ų | 77 | 53.6 Ų | 53.6 | 41% | 0.412 | 27% | 0.265 | S | S | . | . | trans | -77.8 | 166.1 | 170.7 | 69.7 | 45.6 | 0 | 0 | 0 | 111.8 | N688 Q689 V690 | D686-N688 VanDerWaalsContact C-N 3.27Å; D686-N688 PolarHBondContact O-N 2.76Å; D686-N688 WeakPolarHBondContact OD1-CA 3.41Å; D686-N688 WeakPolarHBondContact OD1-CB 3.31Å; D686-N688 PolarHBondContact OD1-N 3.31Å; D686-Q689 PolarHBondContact O-N 2.61Å; D686-Q689 WeakPolarHBondContact OD1-CB 3.08Å; D686-Q689 VanDerWaalsContact OD1-CG 3.27Å; D686-Q689 WeakPolarHBondContact OD1-CG 3.24Å; D686-Q689 PolarHBondContact OD1-N 2.64Å; D686-Q689 PolarHBondContact OD2-NE2 3.33Å; D686-V690 VanDerWaalsContact O-CG2 3.26Å; D686-V690 WeakPolarHBondContact O-CG2 3.27Å; D686-V690 PolarHBondContact O-N 2.94Å | ||
| 687 | M | 85.2 | Confident | 87.2 | Confident | 64 Ų | 64 | 58 Ų | 58 | 32% | 0.315 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.1 | -32.6 | -178.8 | -95.3 | -45.3 | -144 | 0 | 0 | 114.1 | L640 I655 V690 N691 | L640-M687 HydrophobicContact CD2-CE 3.85Å; L640-M687 HydrophobicContact CD2-SD 4.24Å; I655-M687 HydrophobicContact CD1-CB 4.28Å; I655-M687 HydrophobicContact CD1-CE 3.92Å; I655-M687 HydrophobicContact CD1-CG 3.23Å; I655-M687 HydrophobicContact CD1-SD 3.25Å; I655-M687 WeakPolarHBondContact CD1-SD 3.42Å; M687-V690 PolarHBondContact O-N 3.01Å; M687-V690 HydrophobicContact SD-CB 4.43Å; M687-N691 VanDerWaalsContact O-CB 3.28Å; M687-N691 WeakPolarHBondContact O-CB 2.96Å; M687-N691 PolarHBondContact O-N 2.84Å; M687-N691 PolarHBondContact O-ND2 3.44Å |
| 688 | N | 84.4 | Confident | 87.4 | Confident | 128 Ų | 128 | 59.3 Ų | 59.3 | 68% | 0.684 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -71.5 | -37.8 | -177.7 | -66 | -19 | 0 | 0 | 0 | 110.2 | D686 S692 | D686-N688 VanDerWaalsContact C-N 3.27Å; D686-N688 PolarHBondContact O-N 2.76Å; D686-N688 WeakPolarHBondContact OD1-CA 3.41Å; D686-N688 WeakPolarHBondContact OD1-CB 3.31Å; D686-N688 PolarHBondContact OD1-N 3.31Å; N688-S692 WeakPolarHBondContact O-CB 3.33Å; N688-S692 PolarHBondContact O-N 3.28Å; N688-S692 PolarHBondContact O-OG 3.26Å |
| 689 | Q | 87.8 | Confident | 87.2 | Confident | 61 Ų | 61 | 62.8 Ų | 62.8 | 29% | 0.285 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -67 | -39.5 | 171.8 | -68.1 | 173.6 | -0.9 | 0 | 0 | 112.1 | M685 D686 S692 C693 R694 | M685-Q689 HydrophobicContact CB-CB 4.08Å; M685-Q689 HydrophobicContact SD-CB 4.33Å; D686-Q689 PolarHBondContact O-N 2.61Å; D686-Q689 WeakPolarHBondContact OD1-CB 3.08Å; D686-Q689 VanDerWaalsContact OD1-CG 3.27Å; D686-Q689 WeakPolarHBondContact OD1-CG 3.24Å; D686-Q689 PolarHBondContact OD1-N 2.64Å; D686-Q689 PolarHBondContact OD2-NE2 3.33Å; Q689-S692 WeakPolarHBondContact CA-OG 3.4Å; Q689-S692 PolarHBondContact O-OG 2.98Å; Q689-C693 PolarHBondContact O-N 3.13Å; Q689-R694 HydrophobicContact CB-CB 4.5Å; Q689-R694 PolarHBondContact O-N 3.19Å; Q689-R694 VanDerWaalsContact O-N 3.07Å |
| 690 | V | 86.6 | Confident | 87 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.1 | -46.8 | 174.4 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | L640 V658 M685 D686 M687 S692 C693 Y695 | L640-V690 HydrophobicContact CD1-CG1 4.28Å; L640-V690 HydrophobicContact CD1-CG2 4.44Å; V658-V690 HydrophobicContact CB-CG2 4.1Å; V658-V690 HydrophobicContact CG1-CG2 3.96Å; V658-V690 HydrophobicContact CG2-CG1 4.4Å; M685-V690 HydrophobicContact CB-CG2 3.99Å; D686-V690 VanDerWaalsContact O-CG2 3.26Å; D686-V690 WeakPolarHBondContact O-CG2 3.27Å; D686-V690 PolarHBondContact O-N 2.94Å; M687-V690 PolarHBondContact O-N 3.01Å; M687-V690 HydrophobicContact SD-CB 4.43Å; V690-S692 VanDerWaalsContact C-N 3.27Å; V690-S692 PolarHBondContact O-N 2.68Å; V690-C693 PolarHBondContact O-N 2.94Å; V690-Y695 HydrophobicContact CG1-CE1 4.17Å; V690-Y695 VanDerWaalsContact O-CE1 3.26Å; V690-Y695 WeakPolarHBondContact O-CE1 3.18Å |
| 691 | N | 85.7 | Confident | 86.7 | Confident | 87 Ų | 87 | 61.7 Ų | 61.7 | 47% | 0.465 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -68.5 | -27 | -179.1 | -69.7 | -18.8 | 0 | 0 | 0 | 112.7 | M687 C693 | M687-N691 VanDerWaalsContact O-CB 3.28Å; M687-N691 WeakPolarHBondContact O-CB 2.96Å; M687-N691 PolarHBondContact O-N 2.84Å; M687-N691 PolarHBondContact O-ND2 3.44Å; N691-C693 VanDerWaalsContact C-N 3.28Å |
| 692 | S | 84.4 | Confident | 85.7 | Confident | 69 Ų | 69 | 60.2 Ų | 60.2 | 48% | 0.483 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 9.9 | 171.9 | 55.5 | 0 | 0 | 0 | 0 | 114 | N688 Q689 V690 R694 | N688-S692 WeakPolarHBondContact O-CB 3.33Å; N688-S692 PolarHBondContact O-N 3.28Å; N688-S692 PolarHBondContact O-OG 3.26Å; Q689-S692 WeakPolarHBondContact CA-OG 3.4Å; Q689-S692 PolarHBondContact O-OG 2.98Å; V690-S692 VanDerWaalsContact C-N 3.27Å; V690-S692 PolarHBondContact O-N 2.68Å; S692-R694 PolarHBondContact O-N 3.23Å; S692-R694 VanDerWaalsContact O-N 3.09Å |
| 693 | C | 89 | Confident | 84.2 | Confident | 8 Ų | 8 | 67.9 Ų | 67.9 | 5% | 0.054 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 26.3 | 178.2 | -65.7 | 0 | 0 | 0 | 0 | 115.6 | G538 Q689 V690 N691 Y695 L696 | G538-C693 WeakPolarHBondContact CA-SG 3.49Å; Q689-C693 PolarHBondContact O-N 3.13Å; V690-C693 PolarHBondContact O-N 2.94Å; N691-C693 VanDerWaalsContact C-N 3.28Å; C693-Y695 HydrophobicContact CB-CE1 4.42Å; C693-Y695 PolarHBondContact O-N 2.82Å; C693-Y695 VanDerWaalsContact O-N 3.07Å; C693-Y695 PolarHBondContact SG-OH 3.14Å; C693-Y695 VanDerWaalsContact SG-OH 3.35Å; C693-L696 HydrophobicContact CB-CD1 3.85Å; C693-L696 HydrophobicContact CB-CG 4.2Å; C693-L696 WeakPolarHBondContact O-CB 3.45Å; C693-L696 WeakPolarHBondContact O-CG 3.03Å; C693-L696 PolarHBondContact O-N 3.46Å |
| 694 | R | 85.7 | Confident | 82.4 | Confident | 158 Ų | 158 | 73.6 Ų | 73.6 | 60% | 0.596 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -60.6 | -21.8 | -179.9 | -83.3 | -168.9 | 169.3 | -179 | -0.8 | 114.2 | M685 Q689 S692 L696 C697 | M685-R694 HydrophobicContact SD-CB 4.44Å; Q689-R694 HydrophobicContact CB-CB 4.5Å; Q689-R694 PolarHBondContact O-N 3.19Å; Q689-R694 VanDerWaalsContact O-N 3.07Å; S692-R694 PolarHBondContact O-N 3.23Å; S692-R694 VanDerWaalsContact O-N 3.09Å; R694-L696 PolarHBondContact O-N 2.65Å; R694-C697 PolarHBondContact O-N 2.96Å |
| 695 | Y | 89 | Confident | 80.2 | Confident | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -62.1 | -22.1 | 173.8 | 55.5 | -101.4 | 0 | 0 | 0 | 113.1 | H636 R638 V658 Y660 V690 C693 C697 Q698 | H636-Y695 AromaticContact CD2-CE2 3.79Å; H636-Y695 AromaticContact NE2-CE2 3.34Å; H636-Y695 VanDerWaalsContact NE2-CE2 3.34Å; H636-Y695 WeakPolarHBondContact NE2-CE2 3.43Å; H636-Y695 AromaticContact NE2-CZ 3.47Å; H636-Y695 PolarHBondContact NE2-OH 3.39Å; R638-Y695 VanDerWaalsContact CD-OH 3.27Å; R638-Y695 WeakPolarHBondContact CD-OH 3.39Å; R638-Y695 HydrophobicContact CG-CE1 4.42Å; V658-Y695 HydrophobicContact CB-CD1 4.47Å; V658-Y695 HydrophobicContact CG1-CD1 3.75Å; V658-Y695 HydrophobicContact CG1-CG 3.92Å; V658-Y695 HydrophobicContact CG2-CD1 3.93Å; V658-Y695 HydrophobicContact CG2-CE1 4.09Å; V658-Y695 HydrophobicContact CG2-CG 4.26Å; Y660-Y695 AromaticContact CD1-CD2 3.62Å; Y660-Y695 HydrophobicContact CD1-CD2 3.62Å; Y660-Y695 HydrophobicContact CD1-CE2 4.42Å; Y660-Y695 HydrophobicContact CD1-CG 4.44Å; Y660-Y695 HydrophobicContact CD2-CD2 4.47Å; Y660-Y695 HydrophobicContact CE1-CD2 4.31Å; Y660-Y695 WeakPolarHBondContact CE1-O 3.43Å; Y660-Y695 AromaticContact CG-CD2 3.7Å; Y660-Y695 HydrophobicContact CG-CD2 3.7Å; Y660-Y695 HydrophobicContact CG-CE2 4.06Å; V690-Y695 HydrophobicContact CG1-CE1 4.17Å; V690-Y695 VanDerWaalsContact O-CE1 3.26Å; V690-Y695 WeakPolarHBondContact O-CE1 3.18Å; C693-Y695 HydrophobicContact CB-CE1 4.42Å; C693-Y695 PolarHBondContact O-N 2.82Å; C693-Y695 VanDerWaalsContact O-N 3.07Å; C693-Y695 PolarHBondContact SG-OH 3.14Å; C693-Y695 VanDerWaalsContact SG-OH 3.35Å; Y695-C697 PolarHBondContact O-N 3.34Å; Y695-C697 VanDerWaalsContact O-N 3.16Å; Y695-Q698 WeakPolarHBondContact O-CB 3.45Å; Y695-Q698 PolarHBondContact O-N 3.07Å |
| 696 | L | 86.5 | Confident | 78.2 | Confident | 29 Ų | 29 | 70.9 Ų | 70.9 | 15% | 0.152 | 38% | 0.377 | C | S | . | . | G | 310 helix | trans | -65 | -15.8 | 176.7 | -66.9 | 179.4 | 0 | 0 | 0 | 113.6 | Y660 R662 C693 R694 | Y660-L696 HydrophobicContact CD2-CD2 3.59Å; Y660-L696 HydrophobicContact CE2-CD2 3.62Å; Y660-L696 HydrophobicContact CG-CD2 4.23Å; R662-L696 PolarHBondContact NH2-O 3.44Å; C693-L696 HydrophobicContact CB-CD1 3.85Å; C693-L696 HydrophobicContact CB-CG 4.2Å; C693-L696 WeakPolarHBondContact O-CB 3.45Å; C693-L696 WeakPolarHBondContact O-CG 3.03Å; C693-L696 PolarHBondContact O-N 3.46Å; R694-L696 PolarHBondContact O-N 2.65Å |
| 697 | C | 83.5 | Confident | 76 | Confident | 110 Ų | 110 | 69.9 Ų | 69.9 | 74% | 0.743 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -84.9 | -8.2 | 173 | -57.8 | 0 | 0 | 0 | 0 | 113.2 | R694 Y695 | R694-C697 PolarHBondContact O-N 2.96Å; Y695-C697 PolarHBondContact O-N 3.34Å; Y695-C697 VanDerWaalsContact O-N 3.16Å |
| 698 | Q | 85.7 | Confident | 73.6 | Confident | 85 Ų | 85 | 73.1 Ų | 73.1 | 40% | 0.397 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -98.6 | 152 | 177.6 | -59.7 | -60.3 | -36.9 | 0 | 0 | 110 | Y660 H683 M685 Y695 S700 | Y660-Q698 WeakPolarHBondContact CE1-O 3.24Å; Y660-Q698 VanDerWaalsContact CZ-O 3.31Å; Y660-Q698 PolarHBondContact OH-O 3.35Å; H683-Q698 VanDerWaalsContact CE1-CB 3.47Å; H683-Q698 WeakPolarHBondContact CE1-CB 3.36Å; M685-Q698 HydrophobicContact CE-CG 3.74Å; Y695-Q698 WeakPolarHBondContact O-CB 3.45Å; Y695-Q698 PolarHBondContact O-N 3.07Å; Q698-S700 PolarHBondContact O-N 3.24Å |
| 699 | P | 83.7 | Confident | 71.1 | Confident | 75 Ų | 75 | 71.3 Ų | 71.3 | 49% | 0.487 | 40% | 0.396 | S | S | . | . | trans | -62.2 | 136.7 | 175.3 | 25.9 | -33.8 | 0 | 0 | 0 | 111 | H683 | H683-P699 PolarHBondContact CE1-O 2.95Å; H683-P699 PolarHBondContact NE2-O 3.2Å | ||
| 700 | S | 85.2 | Confident | 68.3 | Low | 20 Ų | 20 | 76 Ų | 76 | 14% | 0.14 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -77.4 | -42.5 | 178.9 | 53.9 | 0 | 0 | 0 | 0 | 112.3 | Y660 L680 Y681 Q698 | Y660-S700 VanDerWaalsContact O-CB 3.3Å; Y660-S700 WeakPolarHBondContact O-CB 3.28Å; L680-S700 CarbonylContact C-O 3.6Å; L680-S700 VanDerWaalsContact CA-O 3.28Å; L680-S700 WeakPolarHBondContact CA-O 3.46Å; Y681-S700 PolarHBondContact N-O 3.45Å; Q698-S700 PolarHBondContact O-N 3.24Å |
| 701 | Y | 85.4 | Confident | 65.5 | Low | 46 Ų | 46 | 78.5 Ų | 78.5 | 18% | 0.18 | 44% | 0.437 | C | S | . | . | S | Bend | trans | -152.8 | 170 | 176.7 | 56 | -87.5 | 0 | 0 | 0 | 109.4 | L661 Y678 H679 L680 | L661-Y701 HydrophobicContact CD1-CD1 4.34Å; L661-Y701 HydrophobicContact CD1-CE1 3.9Å; Y678-Y701 HydrophobicContact CD1-CD1 4.03Å; Y678-Y701 HydrophobicContact CD1-CD2 4.43Å; Y678-Y701 AromaticContact CD1-CE1 3.84Å; Y678-Y701 HydrophobicContact CD1-CE1 3.84Å; Y678-Y701 HydrophobicContact CD1-CE2 4.26Å; Y678-Y701 HydrophobicContact CD1-CG 4.35Å; Y678-Y701 AromaticContact CD1-CZ 3.98Å; Y678-Y701 AromaticContact CE1-CE1 3.98Å; Y678-Y701 HydrophobicContact CE1-CE1 3.98Å; Y678-Y701 HydrophobicContact CE1-CE2 4.26Å; Y678-Y701 AromaticContact CE1-CZ 3.8Å; H679-Y701 VanDerWaalsContact O-CB 3.26Å; H679-Y701 WeakPolarHBondContact O-CB 3.36Å; L680-Y701 HydrophobicContact CD2-CD1 4Å |
| 702 | C | 70.5 | Confident | 62.5 | Low | 37 Ų | 37 | 82.3 Ų | 82.3 | 25% | 0.25 | 46% | 0.457 | C | S | . | . | trans | -76.1 | 123.6 | 173.6 | -169.3 | 0 | 0 | 0 | 0 | 109.7 | Y681 D704 D705 G706 | Y681-C702 HydrophobicContact CE2-CB 4.38Å; Y681-C702 WeakPolarHBondContact OH-CB 3.49Å; C702-D704 VanDerWaalsContact C-N 3.25Å; C702-D704 PolarHBondContact O-N 2.89Å; C702-D705 HydrophobicContact CB-CB 3.98Å; C702-D705 WeakPolarHBondContact CB-OD2 3.3Å; C702-D705 CarbonylContact O-C 3.51Å; C702-D705 PolarHBondContact O-N 3.17Å; C702-D705 VanDerWaalsContact O-N 3.11Å; C702-G706 PolarHBondContact O-N 3.25Å | ||
| 703 | E | 59.4 | Low | 59.7 | Low | 169 Ų | 169 | 84.6 Ų | 84.6 | 79% | 0.79 | 47% | 0.473 | S | S | * | . | G | 310 helix | trans | -64.1 | -30.5 | 177.5 | -73.7 | -177.3 | 168.4 | 0 | 0 | 112.5 | D705 G706 | E703-D705 VanDerWaalsContact C-N 3.29Å; E703-D705 PolarHBondContact O-N 3.4Å; E703-G706 PolarHBondContact O-N 3.01Å |
| 704 | D | 51.9 | Low | 56.7 | Low | 150 Ų | 150 | 89.5 Ų | 89.5 | 80% | 0.802 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -70.8 | -22.6 | 174.8 | -67.6 | -31.1 | 0 | 0 | 0 | 113 | C702 | C702-D704 VanDerWaalsContact C-N 3.25Å; C702-D704 PolarHBondContact O-N 2.89Å |
| 705 | D | 42.1 | Very low | 53.8 | Low | 100 Ų | 100 | 85.5 Ų | 85.5 | 54% | 0.535 | 52% | 0.515 | S | S | . | . | G | 310 helix | trans | -96.9 | 4.5 | 169.3 | -63.1 | -45.2 | 0 | 0 | 0 | 112 | C702 E703 | C702-D705 HydrophobicContact CB-CB 3.98Å; C702-D705 WeakPolarHBondContact CB-OD2 3.3Å; C702-D705 CarbonylContact O-C 3.51Å; C702-D705 PolarHBondContact O-N 3.17Å; C702-D705 VanDerWaalsContact O-N 3.11Å; E703-D705 VanDerWaalsContact C-N 3.29Å; E703-D705 PolarHBondContact O-N 3.4Å |
| 706 | G | 44 | Very low | 50.7 | Low | 15 Ų | 15 | 91.3 Ų | 91.3 | 16% | 0.155 | 56% | 0.556 | C | S | . | * | S | Bend | trans | -55.6 | 155 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | C702 E703 I708 | C702-G706 PolarHBondContact O-N 3.25Å; E703-G706 PolarHBondContact O-N 3.01Å; G706-I708 PolarHBondContact O-N 3.34Å |
| 707 | P | 40.9 | Very low | 47.7 | Very low | 56 Ų | 56 | 93.4 Ų | 93.4 | 36% | 0.364 | 59% | 0.585 | S | S | . | * | trans | -46.8 | 107.2 | -166.2 | 19.7 | -32.4 | 0 | 0 | 0 | 109.2 | A709 | P707-A709 PolarHBondContact O-N 2.89Š| ||
| 708 | I | 34.2 | Very low | 44.9 | Very low | 132 Ų | 132 | 94.1 Ų | 94.1 | 68% | 0.677 | 59% | 0.59 | S | S | * | * | trans | -50 | 111.8 | 177.6 | -67.1 | 170.3 | 0 | 0 | 0 | 103.9 | G706 Y710 | G706-I708 PolarHBondContact O-N 3.34Å; I708-Y710 VanDerWaalsContact C-N 3.29Å; I708-Y710 WeakPolarHBondContact O-CD2 3.32Å; I708-Y710 PolarHBondContact O-N 3.3Å | ||
| 709 | A | 33.1 | Very low | 41.9 | Very low | 91 Ų | 91 | 93.7 Ų | 93.7 | 75% | 0.752 | 61% | 0.609 | S | S | * | * | trans | -55.3 | 103.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 105.9 | P707 G711 | P707-A709 PolarHBondContact O-N 2.89Å; A709-G711 PolarHBondContact O-N 2.63Å; A709-G711 VanDerWaalsContact O-N 3.11Å | ||
| 710 | Y | 27.7 | Very low | 39 | Very low | 159 Ų | 159 | 95.3 Ų | 95.3 | 62% | 0.624 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -53.9 | 121.1 | -176 | -74 | -91.1 | 0 | 0 | 0 | 108.5 | I230 I708 | I230-Y710 HydrophobicContact CG2-CE1 4.25Å; I708-Y710 VanDerWaalsContact C-N 3.29Å; I708-Y710 WeakPolarHBondContact O-CD2 3.32Å; I708-Y710 PolarHBondContact O-N 3.3Å |
| 711 | G | 28 | Very low | 36 | Very low | 52 Ų | 52 | 100.2 Ų | 100.2 | 54% | 0.536 | 66% | 0.656 | S | S | . | * | trans | 103.8 | 70.9 | 161 | 0 | 0 | 0 | 0 | 0 | 116.9 | A709 | A709-G711 PolarHBondContact O-N 2.63Å; A709-G711 VanDerWaalsContact O-N 3.11Å | ||
| 712 | L | 23.3 | Very low | 33 | Very low | 167 Ų | 167 | 103.3 Ų | 103.3 | 87% | 0.874 | 69% | 0.685 | S | S | * | * | trans | -136.4 | 59.2 | 144.8 | -74.3 | 174.5 | 0 | 0 | 0 | 109.4 | S714 | L712-S714 PolarHBondContact O-N 3.14Š| ||
| 713 | S | 25.3 | Very low | 30.7 | Very low | 118 Ų | 118 | 109.7 Ų | 109.7 | 83% | 0.825 | 72% | 0.715 | S | S | * | * | trans | -88.7 | 98.8 | 162.7 | 77.4 | 0 | 0 | 0 | 0 | 108.7 | G715 | S713-G715 VanDerWaalsContact C-N 3.31Å; S713-G715 PolarHBondContact O-N 3.31Å | ||
| 714 | S | 25.7 | Very low | 28.9 | Very low | 111 Ų | 111 | 104.5 Ų | 104.5 | 78% | 0.776 | 71% | 0.706 | S | S | * | * | trans | -63 | 89.4 | 169.3 | -62.2 | 0 | 0 | 0 | 0 | 109.9 | L712 S716 | L712-S714 PolarHBondContact O-N 3.14Å; S714-S716 PolarHBondContact O-N 2.85Å; S714-S716 VanDerWaalsContact O-N 3.16Å | ||
| 715 | G | 24.9 | Very low | 27.4 | Very low | 74 Ų | 74 | 104.7 Ų | 104.7 | 76% | 0.763 | 71% | 0.707 | S | S | * | * | trans | -75.3 | 92.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | S713 G717 | S713-G715 VanDerWaalsContact C-N 3.31Å; S713-G715 PolarHBondContact O-N 3.31Å; G715-G717 PolarHBondContact O-N 2.93Å | ||
| 716 | S | 24.6 | Very low | 26.5 | Very low | 122 Ų | 122 | 106.3 Ų | 106.3 | 85% | 0.853 | 72% | 0.716 | S | S | * | * | trans | -57.1 | 103.2 | 168.4 | -62.3 | 0 | 0 | 0 | 0 | 110.5 | S714 | S714-S716 PolarHBondContact O-N 2.85Å; S714-S716 VanDerWaalsContact O-N 3.16Å | ||
| 717 | G | 23.6 | Very low | 25.6 | Very low | 73 Ų | 73 | 112.9 Ų | 112.9 | 75% | 0.753 | 75% | 0.753 | S | S | * | * | trans | -126.8 | 89.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | G715 | G715-G717 PolarHBondContact O-N 2.93Š| ||
| 718 | S | 23.6 | Very low | 24.7 | Very low | 124 Ų | 124 | 117.4 Ų | 117.4 | 87% | 0.867 | 77% | 0.772 | S | S | * | * | trans | -53.4 | 129 | -179.1 | -57.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 719 | G | 23.2 | Very low | 24.2 | Very low | 76 Ų | 76 | 117.4 Ų | 117.4 | 78% | 0.784 | 77% | 0.774 | S | S | * | * | trans | -165.5 | 60.3 | 172 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 720 | S | 23.4 | Very low | 23.7 | Very low | 110 Ų | 110 | 118.9 Ų | 118.9 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | trans | -69 | 132.1 | -171.7 | -55.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 721 | S | 21.4 | Very low | 23.6 | Very low | 122 Ų | 122 | 117.9 Ų | 117.9 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | trans | -155.7 | 53.6 | 144 | 56.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 722 | S | 22.1 | Very low | 23.3 | Very low | 112 Ų | 112 | 120.6 Ų | 120.6 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | trans | -90.2 | 108.5 | 169 | 57.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 723 | I | 22 | Very low | 23.4 | Very low | 170 Ų | 170 | 118.5 Ų | 118.5 | 87% | 0.872 | 79% | 0.794 | S | S | * | * | trans | -76 | 119.2 | 163 | -68 | 170.6 | 0 | 0 | 0 | 107 | ||||
| 724 | G | 21.3 | Very low | 23.3 | Very low | 60 Ų | 60 | 116.3 Ų | 116.3 | 62% | 0.619 | 79% | 0.79 | S | S | * | * | trans | -85.1 | -179.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 725 | L | 22.1 | Very low | 23.3 | Very low | 154 Ų | 154 | 119.1 Ų | 119.1 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | trans | 152.5 | 135.1 | 157.3 | -83.5 | 169.3 | 0 | 0 | 0 | 106 | ||||
| 726 | N | 22.3 | Very low | 23.2 | Very low | 135 Ų | 135 | 123.1 Ų | 123.1 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | cis | -170.9 | 112.2 | -18.2 | -116.3 | 0.9 | 0 | 0 | 0 | 104.3 | ||||
| 727 | T | 24.9 | Very low | 23.2 | Very low | 152 Ų | 152 | 125.1 Ų | 125.1 | 93% | 0.933 | 80% | 0.8 | S | S | * | * | trans | -88.4 | 110 | 175.7 | -54.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 728 | I | 22.5 | Very low | 23.3 | Very low | 151 Ų | 151 | 129.1 Ų | 129.1 | 77% | 0.774 | 80% | 0.803 | S | S | * | * | trans | -84.1 | 112.2 | 175.3 | -65.4 | 174.2 | 0 | 0 | 0 | 109.6 | ||||
| 729 | N | 24 | Very low | 23.3 | Very low | 132 Ų | 132 | 131.3 Ų | 131.3 | 71% | 0.706 | 80% | 0.804 | S | S | * | * | trans | 30.5 | 115.9 | 131.9 | -117.8 | 13.7 | 0 | 0 | 0 | 119.9 | ||||
| 730 | S | 22.9 | Very low | 23.3 | Very low | 122 Ų | 122 | 132.7 Ų | 132.7 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | trans | -157.8 | 142.6 | 130.8 | 52.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 731 | N | 23.5 | Very low | 23.3 | Very low | 138 Ų | 138 | 134.4 Ų | 134.4 | 74% | 0.738 | 80% | 0.802 | S | S | * | * | trans | -84.4 | 140.1 | -161.7 | -57.4 | -47.9 | 0 | 0 | 0 | 112.8 | ||||
| 732 | S | 23.7 | Very low | 23.4 | Very low | 109 Ų | 109 | 133.8 Ų | 133.8 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | 172.4 | 122.2 | 119.3 | 45.7 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 733 | S | 23.7 | Very low | 23.5 | Very low | 123 Ų | 123 | 135.1 Ų | 135.1 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | trans | 50.9 | 98.5 | 155.2 | 57.3 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 734 | G | 24.6 | Very low | 23.7 | Very low | 72 Ų | 72 | 136.7 Ų | 136.7 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | 116.5 | 26.3 | 117.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 735 | L | 24.4 | Very low | 23.8 | Very low | 171 Ų | 171 | 138.4 Ų | 138.4 | 90% | 0.895 | 80% | 0.796 | S | S | * | * | trans | -138.4 | 44 | 171.3 | -74.6 | 178 | 0 | 0 | 0 | 114.1 | ||||
| 736 | N | 23.3 | Very low | 23.9 | Very low | 157 Ų | 157 | 137.9 Ų | 137.9 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | trans | -127.7 | 86.8 | 165.9 | -77.7 | -21.3 | 0 | 0 | 0 | 109.1 | ||||
| 737 | N | 24.7 | Very low | 24 | Very low | 164 Ų | 164 | 136.3 Ų | 136.3 | 88% | 0.877 | 80% | 0.799 | S | S | * | * | trans | -178.4 | 55.2 | 152.2 | -93.2 | -11.1 | 0 | 0 | 0 | 112.1 | ||||
| 738 | I | 25.6 | Very low | 23.9 | Very low | 158 Ų | 158 | 134 Ų | 134 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | trans | -143.2 | 62.6 | 159 | -47.6 | 177.8 | 0 | 0 | 0 | 109.4 | ||||
| 739 | L | 24.3 | Very low | 24 | Very low | 170 Ų | 170 | 132 Ų | 132 | 89% | 0.89 | 79% | 0.789 | S | S | * | * | trans | -135.4 | 40.9 | 164 | -76.6 | 176.4 | 0 | 0 | 0 | 110.7 | ||||
| 740 | S | 22.6 | Very low | 24 | Very low | 105 Ų | 105 | 131.2 Ų | 131.2 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | trans | -89.8 | 101.5 | 156.5 | 55 | 0 | 0 | 0 | 0 | 107.8 | P742 | S740-P742 WeakPolarHBondContact O-CD 3.41Š| ||
| 741 | L | 23.2 | Very low | 24.1 | Very low | 146 Ų | 146 | 130.9 Ų | 130.9 | 76% | 0.764 | 79% | 0.792 | S | S | * | * | trans | -47.6 | 122.2 | 169.5 | -86.2 | 77.3 | 0 | 0 | 0 | 110.2 | N743 | L741-N743 PolarHBondContact O-N 2.85Å; L741-N743 VanDerWaalsContact O-N 3.11Å | ||
| 742 | P | 24.7 | Very low | 24.4 | Very low | 109 Ų | 109 | 129.9 Ų | 129.9 | 71% | 0.708 | 80% | 0.795 | S | S | * | * | trans | -77.9 | 98 | 165.9 | 29.5 | -26.5 | 0 | 0 | 0 | 108.3 | S740 F744 | S740-P742 WeakPolarHBondContact O-CD 3.41Å; P742-F744 PolarHBondContact O-N 2.85Å; P742-F744 VanDerWaalsContact O-N 3.11Å | ||
| 743 | N | 23.7 | Very low | 24.7 | Very low | 140 Ų | 140 | 130.3 Ų | 130.3 | 75% | 0.749 | 80% | 0.798 | S | S | * | * | trans | -55.6 | 109.6 | 163.9 | -97 | -11.2 | 0 | 0 | 0 | 109.2 | L741 S745 | L741-N743 PolarHBondContact O-N 2.85Å; L741-N743 VanDerWaalsContact O-N 3.11Å; N743-S745 PolarHBondContact O-N 3.04Å | ||
| 744 | F | 26 | Very low | 25.3 | Very low | 202 Ų | 202 | 135.9 Ų | 135.9 | 89% | 0.886 | 80% | 0.8 | S | S | * | * | trans | -73.9 | 76.5 | 168 | -91.2 | -90.5 | 0 | 0 | 0 | 109.9 | P742 | P742-F744 PolarHBondContact O-N 2.85Å; P742-F744 VanDerWaalsContact O-N 3.11Å | ||
| 745 | S | 23.1 | Very low | 26.4 | Very low | 96 Ų | 96 | 139.5 Ų | 139.5 | 67% | 0.671 | 80% | 0.803 | S | S | * | * | trans | -90.6 | 117 | 161.2 | -54.4 | 0 | 0 | 0 | 0 | 108.3 | N743 S747 | N743-S745 PolarHBondContact O-N 3.04Å; S745-S747 PolarHBondContact O-N 3.12Å | ||
| 746 | T | 24.6 | Very low | 27.8 | Very low | 144 Ų | 144 | 141.8 Ų | 141.8 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | trans | -57.8 | 110.1 | 171.9 | 49.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 747 | S | 23.8 | Very low | 30.1 | Very low | 101 Ų | 101 | 140.9 Ų | 140.9 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | trans | -165.5 | 109.7 | 152.7 | 46.8 | 0 | 0 | 0 | 0 | 112.6 | S745 | S745-S747 PolarHBondContact O-N 3.12Š| ||
| 748 | S | 23.5 | Very low | 33.1 | Very low | 103 Ų | 103 | 133.7 Ų | 133.7 | 72% | 0.72 | 75% | 0.753 | S | S | * | * | trans | 56.8 | 99 | 137.4 | 58.7 | 0 | 0 | 0 | 0 | 120 | ||||
| 749 | S | 24.5 | Very low | 36.1 | Very low | 111 Ų | 111 | 127.9 Ų | 127.9 | 78% | 0.776 | 73% | 0.725 | S | S | * | * | 51.9 | 103.3 | 120.5 | 56.6 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 750 | S | 22.9 | Very low | 39.3 | Very low | 115 Ų | 115 | 119.8 Ų | 119.8 | 80% | 0.804 | 68% | 0.683 | S | S | * | * | -169.2 | 127.6 | 121.5 | 42.2 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 751 | S | 25.9 | Very low | 42.5 | Very low | 115 Ų | 115 | 116.2 Ų | 116.2 | 80% | 0.804 | 65% | 0.654 | S | S | * | * | trans | 54.7 | 108.4 | 149.8 | -51.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 752 | S | 29.2 | Very low | 45.7 | Very low | 116 Ų | 116 | 109.2 Ų | 109.2 | 81% | 0.811 | 62% | 0.618 | S | S | * | * | -168.1 | 142.9 | 66.6 | -68.9 | 0 | 0 | 0 | 0 | 111.6 | R754 | S752-R754 PolarHBondContact O-N 3.29Å; S752-R754 VanDerWaalsContact O-N 3.08Å | |||
| 753 | S | 31.3 | Very low | 48.7 | Very low | 118 Ų | 118 | 107.2 Ų | 107.2 | 83% | 0.825 | 60% | 0.599 | S | S | * | * | trans | -61.7 | 96.8 | -175.9 | 53.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 754 | R | 36 | Very low | 51.7 | Low | 240 Ų | 240 | 100.7 Ų | 100.7 | 91% | 0.906 | 56% | 0.564 | S | S | * | * | trans | -80.1 | 121.7 | 156.6 | -75.8 | -178.4 | 178.6 | 170.2 | -0.5 | 108.2 | S752 R756 | S752-R754 PolarHBondContact O-N 3.29Å; S752-R754 VanDerWaalsContact O-N 3.08Å; R754-R756 PolarHBondContact O-N 2.8Å | ||
| 755 | N | 46.2 | Very low | 54.5 | Low | 148 Ų | 148 | 93 Ų | 93 | 79% | 0.791 | 53% | 0.532 | S | S | * | . | trans | -47.4 | 112.7 | 175.3 | -75.1 | -30 | 0 | 0 | 0 | 110.3 | M757 | N755-M757 PolarHBondContact O-N 3.16Š| ||
| 756 | R | 54.3 | Low | 57.3 | Low | 219 Ų | 219 | 88.7 Ų | 88.7 | 83% | 0.826 | 50% | 0.502 | S | S | * | . | trans | -61 | 109.2 | 173.2 | -75.2 | -176.6 | 176.3 | 177.9 | -2.1 | 108.1 | R754 | R754-R756 PolarHBondContact O-N 2.8Š| ||
| 757 | M | 71.3 | Confident | 59.8 | Low | 138 Ų | 138 | 82.3 Ų | 82.3 | 68% | 0.68 | 46% | 0.463 | S | S | * | . | trans | -66.2 | 146.6 | 172.7 | -72.2 | -66.4 | -171 | 0 | 0 | 109.9 | Y681 N755 | Y681-M757 HydrophobicContact CD1-CB 4.43Å; N755-M757 PolarHBondContact O-N 3.16Å | ||
| 758 | D | 87.5 | Confident | 62.2 | Low | 13 Ų | 13 | 77.6 Ų | 77.6 | 7% | 0.07 | 43% | 0.43 | C | S | . | . | trans | -72.4 | 134.4 | 175.2 | -61 | -26.2 | 0 | 0 | 0 | 108.4 | N515 S517 I682 K684 | N515-D758 CarbonylContact O-C 3.51Å; N515-D758 VanDerWaalsContact O-CA 3.23Å; N515-D758 WeakPolarHBondContact O-CA 3.5Å; S517-D758 WeakPolarHBondContact CA-OD1 3.3Å; S517-D758 WeakPolarHBondContact CB-OD1 3.34Å; S517-D758 PolarHBondContact N-OD1 2.92Å; S517-D758 PolarHBondContact OG-OD1 2.67Å; S517-D758 PolarHBondContact OG-OD2 2.97Å; I682-D758 HydrophobicContact CB-CB 3.89Å; I682-D758 WeakPolarHBondContact CB-O 3.16Å; I682-D758 HydrophobicContact CD1-CB 4.16Å; I682-D758 HydrophobicContact CG1-CB 4.44Å; I682-D758 HydrophobicContact CG2-CB 4.44Å; I682-D758 PolarHBondContact N-O 3.37Å; K684-D758 WeakPolarHBondContact CE-OD2 3.4Å; K684-D758 IonicContact NZ-OD2 3.71Å; K684-D758 PolarHBondContact NZ-OD2 3.38Å | ||
| 759 | T | 89.7 | Confident | 64.3 | Low | 37 Ų | 37 | 73.9 Ų | 73.9 | 23% | 0.227 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 150.7 | -175.5 | 58.7 | 0 | 0 | 0 | 0 | 112.6 | G514 N515 L680 Y681 | G514-T759 CarbonylContact C-O 3.6Å; G514-T759 WeakPolarHBondContact CA-O 3.47Å; N515-T759 PolarHBondContact N-O 2.92Å; N515-T759 PolarHBondContact O-N 2.84Å; N515-T759 VanDerWaalsContact O-N 3.07Å; L680-T759 CarbonylContact O-C 3.59Å; L680-T759 VanDerWaalsContact O-CA 3.24Å; L680-T759 WeakPolarHBondContact O-CA 3.5Å; Y681-T759 HydrophobicContact CD1-CG2 4.05Å; Y681-T759 HydrophobicContact CE1-CG2 4.35Å |
| 760 | L | 91 | Very high | 66.5 | Low | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 127.8 | 175.4 | -162.6 | 84.7 | 0 | 0 | 0 | 109.2 | L511 F516 V529 W567 L639 H679 L680 I682 I762 | L511-L760 HydrophobicContact CD1-CD1 4.06Å; L511-L760 HydrophobicContact CD1-CD2 3.88Å; L511-L760 HydrophobicContact CD1-CG 3.96Å; F516-L760 HydrophobicContact CZ-CD1 4.25Å; V529-L760 HydrophobicContact CG2-CD1 4.14Å; W567-L760 HydrophobicContact CH2-CD1 4.05Å; W567-L760 HydrophobicContact CZ3-CD1 3.74Å; L639-L760 HydrophobicContact CB-CD2 3.86Å; L639-L760 HydrophobicContact CD2-CD2 3.33Å; L639-L760 HydrophobicContact CG-CD2 4.11Å; H679-L760 CarbonylContact C-O 3.59Å; L680-L760 HydrophobicContact CB-CB 4.36Å; L680-L760 PolarHBondContact N-O 2.99Å; L680-L760 PolarHBondContact O-N 3.11Å; I682-L760 HydrophobicContact CD1-CB 4.08Å; I682-L760 HydrophobicContact CD1-CD1 4.46Å; I682-L760 HydrophobicContact CG1-CB 4.12Å; L760-I762 HydrophobicContact CD2-CG2 4.02Å; L760-I762 HydrophobicContact CG-CG2 4.45Å |
| 761 | H | 90.2 | Very high | 69 | Low | 29 Ų | 29 | 66.4 Ų | 66.4 | 13% | 0.134 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 119.1 | 178.3 | -176.2 | -161.9 | 0 | 0 | 0 | 110.2 | I512 S513 D677 Y678 H679 | I512-H761 HydrophobicContact CB-CB 4.44Å; I512-H761 PolarHBondContact N-O 2.88Å; S513-H761 PolarHBondContact N-O 2.76Å; S513-H761 PolarHBondContact O-N 2.55Å; S513-H761 WeakPolarHBondContact OG-CB 3.4Å; D677-H761 IonicContact OD1-NE2 3.31Å; Y678-H761 WeakPolarHBondContact O-CA 3.31Å; H679-H761 AromaticContact CE1-CD2 3.56Å; H679-H761 AromaticContact CE1-CE1 3.94Å; H679-H761 AromaticContact CE1-CG 3.51Å; H679-H761 AromaticContact CE1-ND1 3.75Å; H679-H761 AromaticContact CE1-NE2 3.86Å; H679-H761 AromaticContact ND1-CD2 3.76Å; H679-H761 AromaticContact ND1-CG 3.7Å |
| 762 | I | 90.5 | Very high | 71.5 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 156.3 | 174 | 66.4 | 172.4 | 0 | 0 | 0 | 110.4 | V509 T510 L511 L639 L661 Y678 L680 L760 | V509-I762 HydrophobicContact CG1-CB 4.49Å; V509-I762 HydrophobicContact CG1-CD1 4.49Å; T510-I762 CarbonylContact O-C 3.49Å; T510-I762 VanDerWaalsContact O-CA 3.31Å; T510-I762 WeakPolarHBondContact O-CA 3.26Å; L511-I762 HydrophobicContact CD1-CG2 3.87Å; L639-I762 HydrophobicContact CD2-CG2 3.98Å; L661-I762 HydrophobicContact CB-CD1 4.35Å; L661-I762 HydrophobicContact CD2-CD1 3.49Å; L661-I762 VanDerWaalsContact CD2-CD1 3.49Å; Y678-I762 PolarHBondContact N-O 3.27Å; Y678-I762 PolarHBondContact O-N 3.39Å; L680-I762 HydrophobicContact CD1-CD1 3.58Å; L680-I762 HydrophobicContact CD1-CG1 4.08Å; L680-I762 HydrophobicContact CG-CD1 4.18Å; L680-I762 HydrophobicContact CG-CG1 4.24Å; L760-I762 HydrophobicContact CD2-CG2 4.02Å; L760-I762 HydrophobicContact CG-CG2 4.45Å |
| 763 | Q | 86.7 | Confident | 73.8 | Confident | 66 Ų | 66 | 56.2 Ų | 56.2 | 31% | 0.308 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 139.9 | 172.8 | 175.9 | 176.1 | 72 | 0 | 0 | 109.6 | V509 T510 I512 G676 D677 | V509-Q763 CarbonylContact C-O 3.55Å; V509-Q763 WeakPolarHBondContact CA-O 3.09Å; T510-Q763 PolarHBondContact N-O 3.14Å; T510-Q763 PolarHBondContact O-N 3.11Å; I512-Q763 HydrophobicContact CD1-CB 3.67Å; I512-Q763 HydrophobicContact CG1-CB 4.42Å; G676-Q763 CarbonylContact O-C 3.59Å; G676-Q763 VanDerWaalsContact O-CA 3.31Å; G676-Q763 WeakPolarHBondContact O-CA 3.49Å; D677-Q763 WeakPolarHBondContact OD1-CB 3.4Å; D677-Q763 VanDerWaalsContact OD1-CG 3.27Å; D677-Q763 WeakPolarHBondContact OD1-CG 3.25Å; D677-Q763 PolarHBondContact OD1-NE2 3.19Å |
| 764 | T | 87.9 | Confident | 76.2 | Confident | 3 Ų | 3 | 51.2 Ų | 51.2 | 2% | 0.018 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 145.2 | -179.3 | 59 | 0 | 0 | 0 | 0 | 112.3 | Y508 V509 L661 L673 P674 D675 G676 Y678 | Y508-T764 WeakPolarHBondContact O-CA 3.28Å; V509-T764 HydrophobicContact CG1-CG2 4.27Å; V509-T764 HydrophobicContact CG2-CG2 4.21Å; L661-T764 HydrophobicContact CD2-CG2 3.93Å; L673-T764 HydrophobicContact CD1-CG2 3.85Å; L673-T764 VanDerWaalsContact CD1-OG1 3.25Å; L673-T764 WeakPolarHBondContact CD1-OG1 3.39Å; P674-T764 PolarHBondContact O-OG1 2.91Å; D675-T764 WeakPolarHBondContact CA-O 3.42Å; G676-T764 PolarHBondContact N-O 2.73Å; G676-T764 VanDerWaalsContact N-O 3.09Å; G676-T764 PolarHBondContact O-N 3.36Å; Y678-T764 HydrophobicContact CD2-CG2 4.34Å; Y678-T764 HydrophobicContact CE2-CG2 4.46Å; Y678-T764 WeakPolarHBondContact CE2-OG1 3.39Å |
| 765 | L | 83.7 | Confident | 78.4 | Confident | 41 Ų | 41 | 43.3 Ų | 43.3 | 22% | 0.215 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 116.6 | 176.6 | 178.4 | 79.1 | 0 | 0 | 0 | 111 | Y484 A485 Y508 D675 | Y484-L765 HydrophobicContact CE1-CD2 4.42Å; A485-L765 HydrophobicContact CB-CD2 3.33Å; Y508-L765 HydrophobicContact CD2-CD2 4.39Å; Y508-L765 PolarHBondContact N-O 2.93Å; Y508-L765 PolarHBondContact O-N 3.39Å; D675-L765 HydrophobicContact CB-CD1 4.43Å; D675-L765 WeakPolarHBondContact OD1-CA 3.38Å |
| 766 | V | 81.9 | Confident | 80.2 | Confident | 5 Ų | 5 | 38 Ų | 38 | 3% | 0.03 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 110.7 | 178 | 177.3 | 0 | 0 | 0 | 0 | 110.5 | L507 L575 L672 D675 T773 | L507-V766 HydrophobicContact CD1-CG2 3.8Å; L575-V766 HydrophobicContact CD1-CG1 4.42Å; L672-V766 HydrophobicContact CB-CG2 4.46Å; L672-V766 HydrophobicContact CD1-CG1 3.77Å; L672-V766 HydrophobicContact CD1-CG2 3.95Å; D675-V766 WeakPolarHBondContact OD1-CB 3.24Å; D675-V766 WeakPolarHBondContact OD1-CG2 3.45Å; D675-V766 PolarHBondContact OD1-N 3.26Å; V766-T773 HydrophobicContact CB-CG2 4.36Å; V766-T773 HydrophobicContact CG2-CG2 4.1Å |
| 767 | C | 77.8 | Confident | 81.6 | Confident | 10 Ų | 10 | 27.6 Ų | 27.6 | 7% | 0.068 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 80.9 | 172.2 | -164.5 | 0 | 0 | 0 | 0 | 109.7 | E506 Y508 | E506-C767 PolarHBondContact N-O 3.46Å; E506-C767 CarbonylContact O-C 3.55Å; E506-C767 WeakPolarHBondContact O-CA 3.44Å; E506-C767 PolarHBondContact O-N 3.02Å; Y508-C767 HydrophobicContact CD2-CB 3.93Å; Y508-C767 HydrophobicContact CE2-CB 3.59Å |
| 768 | S | 73.9 | Confident | 82.1 | Confident | 3 Ų | 3 | 21 Ų | 21 | 2% | 0.021 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 140.8 | -176.3 | 179.5 | 0 | 0 | 0 | 0 | 111.8 | R504 Y770 H771 | R504-S768 WeakPolarHBondContact O-CA 2.94Å; S768-Y770 PolarHBondContact OG-N 3.4Å; S768-H771 WeakPolarHBondContact OG-CB 3.46Å; S768-H771 PolarHBondContact OG-N 3.28Å; S768-H771 VanDerWaalsContact OG-N 3.09Å; S768-H771 PolarHBondContact OG-ND1 2.95Å |
| 769 | S | 68.1 | Low | 81.9 | Confident | 24 Ų | 24 | 21.4 Ų | 21.4 | 17% | 0.168 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -83.6 | -13.6 | 173.6 | 51.9 | 0 | 0 | 0 | 0 | 113.6 | P503 R504 | P503-S769 WeakPolarHBondContact CB-OG 3.33Å; R504-S769 PolarHBondContact O-N 3.08Å |
| 770 | Y | 69.7 | Low | 81.7 | Confident | 54 Ų | 54 | 19.7 Ų | 19.7 | 21% | 0.212 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -127.9 | -4.5 | -171.4 | -55.3 | -69.9 | 0 | 0 | 0 | 114.5 | P503 S578 E581 S768 | P503-Y770 HydrophobicContact CB-CD2 4.42Å; P503-Y770 HydrophobicContact CB-CE2 3.53Å; P503-Y770 HydrophobicContact CG-CE2 3.8Å; S578-Y770 WeakPolarHBondContact CB-O 3.27Å; S578-Y770 WeakPolarHBondContact OG-CB 3.48Å; S578-Y770 PolarHBondContact OG-O 2.78Å; E581-Y770 HydrophobicContact CB-CD1 3.94Å; E581-Y770 HydrophobicContact CB-CD2 4.31Å; E581-Y770 HydrophobicContact CB-CG 3.8Å; E581-Y770 HydrophobicContact CG-CD1 3.87Å; E581-Y770 HydrophobicContact CG-CD2 3.9Å; E581-Y770 HydrophobicContact CG-CE1 4.02Å; E581-Y770 HydrophobicContact CG-CE2 4.04Å; E581-Y770 HydrophobicContact CG-CG 3.81Å; E581-Y770 WeakPolarHBondContact OE1-CD2 3.44Å; E581-Y770 WeakPolarHBondContact OE1-CE2 3.35Å; S768-Y770 PolarHBondContact OG-N 3.4Å |
| 771 | H | 75.7 | Confident | 81.2 | Confident | 15 Ų | 15 | 19.9 Ų | 19.9 | 7% | 0.069 | 10% | 0.099 | C | C | . | . | trans | -113.7 | 133.9 | 176.9 | -61.7 | 69.2 | 0 | 0 | 0 | 109.4 | P576 L672 S768 | P576-H771 PolarHBondContact O-CE1 3.25Å; P576-H771 PolarHBondContact O-NE2 3.05Å; L672-H771 HydrophobicContact CD1-CB 3.38Å; L672-H771 HydrophobicContact CG-CB 4.1Å; S768-H771 WeakPolarHBondContact OG-CB 3.46Å; S768-H771 PolarHBondContact OG-N 3.28Å; S768-H771 VanDerWaalsContact OG-N 3.09Å; S768-H771 PolarHBondContact OG-ND1 2.95Å | ||
| 772 | T | 79.2 | Confident | 80.8 | Confident | 3 Ų | 3 | 20.2 Ų | 20.2 | 2% | 0.018 | 10% | 0.101 | C | C | . | . | trans | -115.2 | 152 | 178.6 | -174 | 0 | 0 | 0 | 0 | 111 | I580 L672 D774 T778 E806 | I580-T772 HydrophobicContact CD1-CG2 4.15Å; L672-T772 PolarHBondContact N-O 3.04Å; L672-T772 VanDerWaalsContact N-O 3.14Å; T772-D774 PolarHBondContact OG1-N 3.24Å; T772-D774 VanDerWaalsContact OG1-N 3.07Å; T772-T778 WeakPolarHBondContact CG2-OG1 3.44Å; T772-E806 VanDerWaalsContact CA-OE2 3.27Å; T772-E806 WeakPolarHBondContact CA-OE2 3.3Å; T772-E806 WeakPolarHBondContact CB-OE2 3.25Å; T772-E806 PolarHBondContact OG1-OE2 2.98Å | ||
| 773 | T | 78.4 | Confident | 80.5 | Confident | 14 Ų | 14 | 21.1 Ų | 21.1 | 9% | 0.086 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -99.3 | 8.1 | 170 | 66.5 | 0 | 0 | 0 | 0 | 111.7 | V671 L672 L673 V766 K803 | V671-T773 VanDerWaalsContact CG1-C 3.43Å; L672-T773 HydrophobicContact CB-CG2 4.49Å; L673-T773 WeakPolarHBondContact O-CG2 3.29Å; V766-T773 HydrophobicContact CB-CG2 4.36Å; V766-T773 HydrophobicContact CG2-CG2 4.1Å; T773-K803 PolarHBondContact O-NZ 2.93Å |
| 774 | D | 81.2 | Confident | 80.2 | Confident | 14 Ų | 14 | 24.9 Ų | 24.9 | 8% | 0.075 | 12% | 0.116 | C | C | . | . | trans | -108.4 | 115.1 | -178.7 | -165.2 | -37.3 | 0 | 0 | 0 | 111.9 | T772 N776 L777 T778 K803 | T772-D774 PolarHBondContact OG1-N 3.24Å; T772-D774 VanDerWaalsContact OG1-N 3.07Å; D774-N776 WeakPolarHBondContact OD1-CB 3.27Å; D774-N776 PolarHBondContact OD1-N 3.32Å; D774-L777 HydrophobicContact CB-CB 3.73Å; D774-L777 PolarHBondContact OD1-N 3.27Å; D774-L777 VanDerWaalsContact OD1-N 3.13Å; D774-T778 PolarHBondContact O-N 2.93Å; D774-T778 VanDerWaalsContact O-N 3.12Å; D774-T778 PolarHBondContact O-OG1 2.91Å; D774-K803 HydrophobicContact CB-CD 4.17Å | ||
| 775 | E | 81.9 | Confident | 79.7 | Confident | 74 Ų | 74 | 30.5 Ų | 30.5 | 35% | 0.346 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -66.4 | -42.9 | 178.6 | -171.8 | -178.9 | 155.5 | 0 | 0 | 112.4 | V669 V671 L777 T778 K779 | V669-E775 HydrophobicContact CB-CG 4.15Å; V669-E775 HydrophobicContact CG1-CG 3.96Å; V669-E775 HydrophobicContact CG2-CG 4.15Å; V671-E775 HydrophobicContact CG2-CB 3.92Å; V671-E775 HydrophobicContact CG2-CG 4.06Å; E775-L777 VanDerWaalsContact C-N 3.28Å; E775-L777 PolarHBondContact O-N 3.43Å; E775-T778 PolarHBondContact O-N 3.13Å; E775-K779 WeakPolarHBondContact O-CG 3.39Å; E775-K779 PolarHBondContact O-N 3.3Å; E775-K779 WeakPolarHBondContact OE1-CE 3.4Å; E775-K779 IonicContact OE1-NZ 3.1Å; E775-K779 PolarHBondContact OE1-NZ 3.07Å |
| 776 | N | 84.4 | Confident | 79.6 | Confident | 35 Ų | 35 | 30.9 Ų | 30.9 | 19% | 0.187 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.6 | -39.3 | -178.8 | -65 | -36.2 | 0 | 0 | 0 | 110.1 | D774 T778 K779 V780 C793 G797 | D774-N776 WeakPolarHBondContact OD1-CB 3.27Å; D774-N776 PolarHBondContact OD1-N 3.32Å; N776-T778 VanDerWaalsContact C-N 3.35Å; N776-T778 PolarHBondContact O-N 3.26Å; N776-K779 PolarHBondContact O-N 2.84Å; N776-V780 WeakPolarHBondContact O-CG2 3.48Å; N776-V780 PolarHBondContact O-N 2.91Å; N776-C793 HydrophobicContact CB-CB 4.44Å; N776-G797 VanDerWaalsContact CB-CA 3.47Å |
| 777 | L | 83.4 | Confident | 79.5 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.7 | -42.9 | 175.6 | -159.5 | 69.1 | 0 | 0 | 0 | 112 | D774 E775 V780 I781 I798 E806 L807 F810 L814 | D774-L777 HydrophobicContact CB-CB 3.73Å; D774-L777 PolarHBondContact OD1-N 3.27Å; D774-L777 VanDerWaalsContact OD1-N 3.13Å; E775-L777 VanDerWaalsContact C-N 3.28Å; E775-L777 PolarHBondContact O-N 3.43Å; L777-V780 PolarHBondContact O-N 3.27Å; L777-I781 HydrophobicContact CG-CD1 4.19Å; L777-I781 WeakPolarHBondContact O-CG1 3.21Å; L777-I781 PolarHBondContact O-N 2.97Å; L777-I798 HydrophobicContact CD1-CG1 4.4Å; L777-E806 HydrophobicContact CD2-CB 4.14Å; L777-L807 HydrophobicContact CD1-CD2 3.82Å; L777-F810 HydrophobicContact CD2-CB 4.33Å; L777-F810 HydrophobicContact CD2-CD2 3.49Å; L777-F810 VanDerWaalsContact CD2-CD2 3.49Å; L777-F810 HydrophobicContact CD2-CE2 4.17Å; L777-F810 HydrophobicContact CD2-CG 4.18Å; L777-L814 HydrophobicContact CD1-CD1 3.68Å; L777-L814 HydrophobicContact CD1-CD2 3.48Å; L777-L814 VanDerWaalsContact CD1-CD2 3.48Å; L777-L814 HydrophobicContact CD1-CG 4.16Å; L777-L814 HydrophobicContact CG-CD2 4.15Å |
| 778 | T | 81.8 | Confident | 79.5 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.8 | -43.4 | 177.2 | -54.4 | 0 | 0 | 0 | 0 | 111.4 | V669 P670 T772 D774 E775 N776 V780 I781 L782 | V669-T778 HydrophobicContact CG1-CG2 3.78Å; P670-T778 HydrophobicContact CG-CG2 3.96Å; T772-T778 WeakPolarHBondContact CG2-OG1 3.44Å; D774-T778 PolarHBondContact O-N 2.93Å; D774-T778 VanDerWaalsContact O-N 3.12Å; D774-T778 PolarHBondContact O-OG1 2.91Å; E775-T778 PolarHBondContact O-N 3.13Å; N776-T778 VanDerWaalsContact C-N 3.35Å; N776-T778 PolarHBondContact O-N 3.26Å; T778-V780 VanDerWaalsContact C-N 3.31Å; T778-V780 PolarHBondContact O-N 3.17Å; T778-I781 PolarHBondContact O-N 3.03Å; T778-L782 HydrophobicContact CG2-CD1 4.06Å; T778-L782 WeakPolarHBondContact O-CB 3.18Å; T778-L782 PolarHBondContact O-N 3.44Å |
| 779 | K | 82.7 | Confident | 79.8 | Confident | 22 Ų | 22 | 47.2 Ų | 47.2 | 10% | 0.096 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.8 | -36.7 | 175.7 | -73 | -178.5 | 178.3 | -176.4 | 0 | 112.1 | V669 E775 N776 L782 W783 Y786 D789 C793 | V669-K779 HydrophobicContact CG1-CG 4.4Å; E775-K779 WeakPolarHBondContact O-CG 3.39Å; E775-K779 PolarHBondContact O-N 3.3Å; E775-K779 WeakPolarHBondContact OE1-CE 3.4Å; E775-K779 IonicContact OE1-NZ 3.1Å; E775-K779 PolarHBondContact OE1-NZ 3.07Å; N776-K779 PolarHBondContact O-N 2.84Å; K779-L782 CarbonylContact O-C 3.56Å; K779-W783 WeakPolarHBondContact O-CA 3.46Å; K779-W783 PolarHBondContact O-N 2.81Å; K779-Y786 HydrophobicContact CB-CD2 4.31Å; K779-Y786 HydrophobicContact CB-CG 4.35Å; K779-Y786 HydrophobicContact CG-CD1 4.3Å; K779-Y786 HydrophobicContact CG-CD2 4.1Å; K779-Y786 HydrophobicContact CG-CG 3.96Å; K779-D789 IonicContact NZ-OD2 2.66Å; K779-D789 PolarHBondContact NZ-OD2 2.91Å; K779-C793 HydrophobicContact CB-CB 4.45Å; K779-C793 VanDerWaalsContact CD-SG 3.54Å |
| 780 | V | 84.7 | Confident | 80.7 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -71 | -42 | 175.2 | 177.6 | 0 | 0 | 0 | 0 | 112.1 | N776 L777 T778 L782 W783 I790 C793 L794 I798 L814 M818 | N776-V780 WeakPolarHBondContact O-CG2 3.48Å; N776-V780 PolarHBondContact O-N 2.91Å; L777-V780 PolarHBondContact O-N 3.27Å; T778-V780 VanDerWaalsContact C-N 3.31Å; T778-V780 PolarHBondContact O-N 3.17Å; V780-L782 VanDerWaalsContact C-N 3.29Å; V780-L782 PolarHBondContact O-N 2.97Å; V780-W783 WeakPolarHBondContact O-CB 3.16Å; V780-W783 PolarHBondContact O-N 2.74Å; V780-I790 HydrophobicContact CB-CD1 4.47Å; V780-I790 HydrophobicContact CG2-CD1 4.09Å; V780-C793 HydrophobicContact CG2-CB 3.91Å; V780-L794 HydrophobicContact CG1-CD2 3.91Å; V780-L794 HydrophobicContact CG2-CD2 3.93Å; V780-L794 HydrophobicContact CG2-CG 4.37Å; V780-I798 HydrophobicContact CB-CD1 4.35Å; V780-I798 HydrophobicContact CG1-CD1 3.87Å; V780-I798 HydrophobicContact CG2-CD1 4.18Å; V780-L814 HydrophobicContact CG1-CD2 4.24Å; V780-M818 HydrophobicContact CG1-CG 4.46Å |
| 781 | I | 81.3 | Confident | 81.4 | Confident | 5 Ų | 5 | 47 Ų | 47 | 3% | 0.026 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.2 | -35.6 | 177.8 | -66.8 | 166.6 | 0 | 0 | 0 | 111 | I580 L777 T778 F810 L814 N817 | I580-I781 HydrophobicContact CG1-CG2 4.33Å; I580-I781 HydrophobicContact CG2-CD1 4.49Å; I580-I781 HydrophobicContact CG2-CG2 4.09Å; L777-I781 HydrophobicContact CG-CD1 4.19Å; L777-I781 WeakPolarHBondContact O-CG1 3.21Å; L777-I781 PolarHBondContact O-N 2.97Å; T778-I781 PolarHBondContact O-N 3.03Å; I781-F810 HydrophobicContact CD1-CB 4.06Å; I781-F810 HydrophobicContact CD1-CD1 3.84Å; I781-F810 HydrophobicContact CD1-CE1 4.47Å; I781-F810 HydrophobicContact CD1-CG 3.89Å; I781-L814 HydrophobicContact CD1-CD2 4.35Å; I781-L814 HydrophobicContact CG1-CD2 3.84Å; I781-N817 PolarHBondContact O-OD1 2.94Å |
| 782 | L | 82.1 | Confident | 81.7 | Confident | 35 Ų | 35 | 50.2 Ų | 50.2 | 18% | 0.183 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | 31.6 | 179.2 | -60 | 177.2 | 0 | 0 | 0 | 112.5 | P670 T778 K779 V780 R784 N785 Y786 | P670-L782 HydrophobicContact CG-CD1 4Å; T778-L782 HydrophobicContact CG2-CD1 4.06Å; T778-L782 WeakPolarHBondContact O-CB 3.18Å; T778-L782 PolarHBondContact O-N 3.44Å; K779-L782 CarbonylContact O-C 3.56Å; V780-L782 VanDerWaalsContact C-N 3.29Å; V780-L782 PolarHBondContact O-N 2.97Å; L782-R784 PolarHBondContact O-N 2.69Å; L782-N785 PolarHBondContact O-N 2.63Å; L782-Y786 HydrophobicContact CB-CD2 4.24Å; L782-Y786 HydrophobicContact CB-CE2 4.09Å; L782-Y786 WeakPolarHBondContact O-CD2 3.49Å |
| 783 | W | 83.3 | Confident | 82 | Confident | 20 Ų | 20 | 50 Ų | 50 | 8% | 0.076 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -53.1 | -27.2 | -169.1 | 67.3 | -90.1 | 0 | 0 | 0 | 115.2 | K779 V780 N785 Y786 Q787 I790 Q820 L821 T824 | K779-W783 WeakPolarHBondContact O-CA 3.46Å; K779-W783 PolarHBondContact O-N 2.81Å; V780-W783 WeakPolarHBondContact O-CB 3.16Å; V780-W783 PolarHBondContact O-N 2.74Å; W783-N785 PolarHBondContact O-N 3.04Å; W783-Y786 CarbonylContact O-C 3.6Å; W783-Y786 PolarHBondContact O-N 2.81Å; W783-Q787 PolarHBondContact O-N 2.8Å; W783-I790 HydrophobicContact CB-CD1 3.6Å; W783-I790 HydrophobicContact CB-CG1 4.34Å; W783-Q820 HydrophobicContact CZ2-CB 4.2Å; W783-L821 HydrophobicContact CB-CD1 3.9Å; W783-L821 HydrophobicContact CD2-CD1 3.9Å; W783-L821 HydrophobicContact CD2-CD2 3.87Å; W783-L821 HydrophobicContact CD2-CG 3.61Å; W783-L821 HydrophobicContact CE3-CD2 3.65Å; W783-L821 HydrophobicContact CE3-CG 3.91Å; W783-L821 HydrophobicContact CG-CD1 3.58Å; W783-L821 HydrophobicContact CG-CD2 4.31Å; W783-L821 HydrophobicContact CG-CG 3.89Å; W783-L821 HydrophobicContact CZ2-CG 4.28Å; W783-L821 HydrophobicContact CZ3-CD2 4.06Å; W783-L821 HydrophobicContact CZ3-CG 4.36Å; W783-T824 HydrophobicContact CH2-CG2 3.99Å |
| 784 | R | 81.4 | Confident | 82.4 | Confident | 144 Ų | 144 | 49.4 Ų | 49.4 | 54% | 0.543 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -57.6 | -28.6 | 175.5 | -69 | -177.1 | 173.3 | 81.5 | 0.6 | 113.1 | L782 Q820 | L782-R784 PolarHBondContact O-N 2.69Å; R784-Q820 VanDerWaalsContact CZ-OE1 3.26Å |
| 785 | N | 78.1 | Confident | 82.4 | Confident | 122 Ų | 122 | 51.7 Ų | 51.7 | 65% | 0.652 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -92.5 | -10.7 | 178.9 | -62.4 | -10 | 0 | 0 | 0 | 113 | L782 W783 | L782-N785 PolarHBondContact O-N 2.63Å; W783-N785 PolarHBondContact O-N 3.04Å |
| 786 | Y | 81.6 | Confident | 82.2 | Confident | 48 Ų | 48 | 53.2 Ų | 53.2 | 19% | 0.188 | 26% | 0.256 | C | S | . | . | trans | -137.8 | 51.2 | -169.7 | -55 | -75.6 | 0 | 0 | 0 | 111.6 | S668 V669 K779 L782 W783 | S668-Y786 PolarHBondContact O-OH 2.77Å; V669-Y786 HydrophobicContact CG2-CE1 4.12Å; K779-Y786 HydrophobicContact CB-CD2 4.31Å; K779-Y786 HydrophobicContact CB-CG 4.35Å; K779-Y786 HydrophobicContact CG-CD1 4.3Å; K779-Y786 HydrophobicContact CG-CD2 4.1Å; K779-Y786 HydrophobicContact CG-CG 3.96Å; L782-Y786 HydrophobicContact CB-CD2 4.24Å; L782-Y786 HydrophobicContact CB-CE2 4.09Å; L782-Y786 WeakPolarHBondContact O-CD2 3.49Å; W783-Y786 CarbonylContact O-C 3.6Å; W783-Y786 PolarHBondContact O-N 2.81Å | ||
| 787 | Q | 79 | Confident | 81.9 | Confident | 124 Ų | 124 | 51.6 Ų | 51.6 | 58% | 0.579 | 25% | 0.247 | S | C | * | . | trans | -68.6 | -33.6 | -173.9 | -67 | -175.9 | -20.9 | 0 | 0 | 113.6 | W783 D789 I790 | W783-Q787 PolarHBondContact O-N 2.8Å; Q787-D789 PolarHBondContact O-N 3.09Å; Q787-I790 VanDerWaalsContact O-CG2 3.27Å; Q787-I790 WeakPolarHBondContact O-CG2 3.43Å; Q787-I790 PolarHBondContact O-N 3.27Å | ||
| 788 | D | 77.5 | Confident | 81.8 | Confident | 167 Ų | 167 | 51.5 Ų | 51.5 | 89% | 0.893 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -35.2 | -174.3 | -60.9 | -40 | 0 | 0 | 0 | 113.2 | ||
| 789 | D | 80.1 | Confident | 81.9 | Confident | 71 Ų | 71 | 53.2 Ų | 53.2 | 38% | 0.38 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -1.7 | -175.8 | -70 | -12.6 | 0 | 0 | 0 | 113.4 | K779 Q787 I791 M792 C793 | K779-D789 IonicContact NZ-OD2 2.66Å; K779-D789 PolarHBondContact NZ-OD2 2.91Å; Q787-D789 PolarHBondContact O-N 3.09Å; D789-I791 VanDerWaalsContact C-N 3.35Å; D789-I791 PolarHBondContact O-N 3.42Å; D789-M792 PolarHBondContact O-N 3.41Å; D789-C793 PolarHBondContact O-N 3.08Å; D789-C793 PolarHBondContact O-SG 3.42Å |
| 790 | I | 86.4 | Confident | 81.7 | Confident | 10 Ų | 10 | 57.1 Ų | 57.1 | 5% | 0.051 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.3 | -37.5 | -161.2 | -164.5 | 60.5 | 0 | 0 | 0 | 113.4 | V780 W783 Q787 M792 C793 L794 L821 L838 | V780-I790 HydrophobicContact CB-CD1 4.47Å; V780-I790 HydrophobicContact CG2-CD1 4.09Å; W783-I790 HydrophobicContact CB-CD1 3.6Å; W783-I790 HydrophobicContact CB-CG1 4.34Å; Q787-I790 VanDerWaalsContact O-CG2 3.27Å; Q787-I790 WeakPolarHBondContact O-CG2 3.43Å; Q787-I790 PolarHBondContact O-N 3.27Å; I790-M792 PolarHBondContact O-N 2.95Å; I790-C793 PolarHBondContact O-N 3.25Å; I790-L794 HydrophobicContact CG1-CD1 4.33Å; I790-L794 HydrophobicContact CG1-CG 4.43Å; I790-L794 WeakPolarHBondContact O-CB 3.46Å; I790-L794 VanDerWaalsContact O-CG 3.28Å; I790-L794 WeakPolarHBondContact O-CG 3.11Å; I790-L794 PolarHBondContact O-N 3.13Å; I790-L821 HydrophobicContact CD1-CD1 4.34Å; I790-L821 HydrophobicContact CG1-CD1 4.29Å; I790-L821 HydrophobicContact CG1-CD2 4.1Å; I790-L838 HydrophobicContact CG2-CD1 3.83Å |
| 791 | I | 84.3 | Confident | 81.4 | Confident | 64 Ų | 64 | 57.7 Ų | 57.7 | 33% | 0.328 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.1 | -45.8 | 179.9 | -65.3 | 177.5 | 0 | 0 | 0 | 110.2 | D789 L794 H795 L838 | D789-I791 VanDerWaalsContact C-N 3.35Å; D789-I791 PolarHBondContact O-N 3.42Å; I791-L794 PolarHBondContact O-N 3.31Å; I791-H795 PolarHBondContact O-N 2.91Å; I791-H795 VanDerWaalsContact O-N 3.14Å; I791-L838 HydrophobicContact CD1-CB 4.35Å; I791-L838 HydrophobicContact CG1-CB 4.37Å; I791-L838 HydrophobicContact CG1-CD1 3.92Å |
| 792 | M | 84 | Confident | 80.8 | Confident | 81 Ų | 81 | 67.2 Ų | 67.2 | 40% | 0.399 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.6 | -42.8 | 176.5 | -174.7 | -151.6 | 70.5 | 0 | 0 | 110.8 | D789 I790 L794 H795 Q796 | D789-M792 PolarHBondContact O-N 3.41Å; I790-M792 PolarHBondContact O-N 2.95Å; M792-L794 PolarHBondContact O-N 3.35Å; M792-H795 PolarHBondContact O-N 3.47Å; M792-Q796 HydrophobicContact CG-CG 4.38Å; M792-Q796 WeakPolarHBondContact O-CB 3.41Å; M792-Q796 PolarHBondContact O-N 3.42Å |
| 793 | C | 85.5 | Confident | 80.3 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.1 | -37.8 | 179.6 | -63.6 | 0 | 0 | 0 | 0 | 112.5 | N776 K779 V780 D789 I790 G797 | N776-C793 HydrophobicContact CB-CB 4.44Å; K779-C793 HydrophobicContact CB-CB 4.45Å; K779-C793 VanDerWaalsContact CD-SG 3.54Å; V780-C793 HydrophobicContact CG2-CB 3.91Å; D789-C793 PolarHBondContact O-N 3.08Å; D789-C793 PolarHBondContact O-SG 3.42Å; I790-C793 PolarHBondContact O-N 3.25Å; C793-G797 WeakPolarHBondContact O-CA 3.32Å; C793-G797 PolarHBondContact O-N 3.49Å |
| 794 | L | 86.1 | Confident | 79.6 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.4 | -43.2 | 174.3 | -73 | 172.3 | 0 | 0 | 0 | 111.7 | V780 I790 I791 M792 I798 Y799 M818 L838 L842 | V780-L794 HydrophobicContact CG1-CD2 3.91Å; V780-L794 HydrophobicContact CG2-CD2 3.93Å; V780-L794 HydrophobicContact CG2-CG 4.37Å; I790-L794 HydrophobicContact CG1-CD1 4.33Å; I790-L794 HydrophobicContact CG1-CG 4.43Å; I790-L794 WeakPolarHBondContact O-CB 3.46Å; I790-L794 VanDerWaalsContact O-CG 3.28Å; I790-L794 WeakPolarHBondContact O-CG 3.11Å; I790-L794 PolarHBondContact O-N 3.13Å; I791-L794 PolarHBondContact O-N 3.31Å; M792-L794 PolarHBondContact O-N 3.35Å; L794-I798 HydrophobicContact CD2-CD1 3.92Å; L794-I798 WeakPolarHBondContact O-CB 3.33Å; L794-I798 PolarHBondContact O-N 3.44Å; L794-Y799 PolarHBondContact O-N 2.9Å; L794-Y799 VanDerWaalsContact O-N 3.13Å; L794-M818 HydrophobicContact CD2-CE 3.82Å; L794-M818 HydrophobicContact CD2-CG 4.31Å; L794-M818 HydrophobicContact CD2-SD 4.33Å; L794-L838 HydrophobicContact CD1-CD1 4.03Å; L794-L842 HydrophobicContact CD1-CD2 3.5Å; L794-L842 VanDerWaalsContact CD1-CD2 3.5Å; L794-L842 HydrophobicContact CD1-CG 3.82Å; L794-L842 HydrophobicContact CD2-CD2 4.14Å; L794-L842 HydrophobicContact CG-CD2 4.48Å |
| 795 | H | 81.7 | Confident | 78.8 | Confident | 62 Ų | 62 | 66.7 Ų | 66.7 | 29% | 0.287 | 32% | 0.323 | S | S | . | . | I | π-helix | trans | -70.9 | -52.3 | -177.9 | -151.1 | 134.5 | 0 | 0 | 0 | 111.6 | I791 M792 Y799 L800 | I791-H795 PolarHBondContact O-N 2.91Å; I791-H795 VanDerWaalsContact O-N 3.14Å; M792-H795 PolarHBondContact O-N 3.47Å; H795-Y799 AromaticContact CD2-CD1 3.72Å; H795-Y799 AromaticContact NE2-CD1 3.66Å; H795-Y799 AromaticContact NE2-CE1 3.99Å; H795-L800 WeakPolarHBondContact O-CB 3.15Å; H795-L800 PolarHBondContact O-N 3.48Å |
| 796 | Q | 77.9 | Confident | 78.5 | Confident | 107 Ų | 107 | 61 Ų | 61 | 50% | 0.5 | 29% | 0.293 | S | S | . | . | I | π-helix | trans | -80.7 | -37.3 | -177.7 | -68.4 | -176.1 | -7.6 | 0 | 0 | 113.3 | M792 | M792-Q796 HydrophobicContact CG-CG 4.38Å; M792-Q796 WeakPolarHBondContact O-CB 3.41Å; M792-Q796 PolarHBondContact O-N 3.42Å |
| 797 | G | 76.2 | Confident | 78.2 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 29% | 0.285 | C | S | . | . | I | π-helix | trans | -86.9 | -19.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | N776 C793 S801 | N776-G797 VanDerWaalsContact CB-CA 3.47Å; C793-G797 WeakPolarHBondContact O-CA 3.32Å; C793-G797 PolarHBondContact O-N 3.49Å; G797-S801 WeakPolarHBondContact O-CB 3.27Å |
| 798 | I | 82.8 | Confident | 77.9 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | I | π-helix | trans | -121.4 | -64.4 | 178.8 | -56.7 | -177.6 | 0 | 0 | 0 | 110.4 | L777 V780 L794 L800 S801 L807 L814 M818 G845 R848 | L777-I798 HydrophobicContact CD1-CG1 4.4Å; V780-I798 HydrophobicContact CB-CD1 4.35Å; V780-I798 HydrophobicContact CG1-CD1 3.87Å; V780-I798 HydrophobicContact CG2-CD1 4.18Å; L794-I798 HydrophobicContact CD2-CD1 3.92Å; L794-I798 WeakPolarHBondContact O-CB 3.33Å; L794-I798 PolarHBondContact O-N 3.44Å; I798-L800 PolarHBondContact O-N 3.06Å; I798-S801 PolarHBondContact O-N 3.4Å; I798-L807 HydrophobicContact CB-CD2 4.45Å; I798-L807 HydrophobicContact CG1-CD2 4.32Å; I798-L807 HydrophobicContact CG2-CD2 4.24Å; I798-L814 HydrophobicContact CD1-CD2 4.09Å; I798-M818 HydrophobicContact CD1-SD 3.87Å; I798-G845 WeakPolarHBondContact CG2-O 3.36Å; I798-R848 HydrophobicContact CG2-CB 4.37Å; I798-R848 WeakPolarHBondContact O-CG 3.39Å |
| 799 | Y | 82.8 | Confident | 77.6 | Confident | 35 Ų | 35 | 51.4 Ų | 51.4 | 14% | 0.137 | 24% | 0.242 | C | C | . | . | I | π-helix | trans | -62.9 | -48 | -172.5 | 175.6 | -113.7 | 0 | 0 | 0 | 112.9 | L794 H795 M844 A958 L961 | L794-Y799 PolarHBondContact O-N 2.9Å; L794-Y799 VanDerWaalsContact O-N 3.13Å; H795-Y799 AromaticContact CD2-CD1 3.72Å; H795-Y799 AromaticContact NE2-CD1 3.66Å; H795-Y799 AromaticContact NE2-CE1 3.99Å; Y799-M844 HydrophobicContact CD2-CB 3.99Å; Y799-M844 HydrophobicContact CE1-SD 4.47Å; Y799-M844 HydrophobicContact CG-CB 4.12Å; Y799-A958 HydrophobicContact CE2-CB 4.36Å; Y799-A958 WeakPolarHBondContact OH-CB 3.39Å; Y799-L961 HydrophobicContact CD2-CD2 4.06Å; Y799-L961 HydrophobicContact CE2-CD2 3.72Å |
| 800 | L | 79.3 | Confident | 77.4 | Confident | 104 Ų | 104 | 48.4 Ų | 48.4 | 55% | 0.545 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 6 | 179 | -62.9 | 174.6 | 0 | 0 | 0 | 114.2 | H795 I798 R802 | H795-L800 WeakPolarHBondContact O-CB 3.15Å; H795-L800 PolarHBondContact O-N 3.48Å; I798-L800 PolarHBondContact O-N 3.06Å; L800-R802 PolarHBondContact O-N 3.25Å |
| 801 | S | 79 | Confident | 77 | Confident | 12 Ų | 12 | 48.3 Ų | 48.3 | 8% | 0.084 | 23% | 0.226 | C | C | . | . | trans | -67.7 | 133.4 | -174.4 | 178.3 | 0 | 0 | 0 | 0 | 112 | G797 I798 K803 | G797-S801 WeakPolarHBondContact O-CB 3.27Å; I798-S801 PolarHBondContact O-N 3.4Å; S801-K803 PolarHBondContact OG-N 2.93Å | ||
| 802 | R | 68.8 | Low | 76.7 | Confident | 205 Ų | 205 | 49.7 Ų | 49.7 | 77% | 0.774 | 23% | 0.227 | S | C | * | . | trans | -90.1 | -7.7 | 173.4 | -63 | -174.7 | -179 | -178.5 | 0.5 | 112.6 | L800 D804 | L800-R802 PolarHBondContact O-N 3.25Å; R802-D804 VanDerWaalsContact C-N 3.32Å; R802-D804 PolarHBondContact O-N 3.49Å; R802-D804 VanDerWaalsContact O-N 3.14Å | ||
| 803 | K | 70.2 | Confident | 76.5 | Confident | 80 Ų | 80 | 46.6 Ų | 46.6 | 35% | 0.348 | 21% | 0.213 | S | C | . | . | trans | -89.2 | 64.3 | -178 | -64 | -174.5 | -178.2 | -179.5 | 0 | 111 | T773 D774 S801 T805 E806 L807 | T773-K803 PolarHBondContact O-NZ 2.93Å; D774-K803 HydrophobicContact CB-CD 4.17Å; S801-K803 PolarHBondContact OG-N 2.93Å; K803-T805 PolarHBondContact O-N 3.33Å; K803-T805 VanDerWaalsContact O-N 3.13Å; K803-E806 HydrophobicContact CB-CB 4.11Å; K803-E806 HydrophobicContact CB-CG 4.21Å; K803-E806 HydrophobicContact CD-CG 4.37Å; K803-E806 PolarHBondContact O-N 2.87Å; K803-L807 PolarHBondContact O-N 2.94Å | ||
| 804 | D | 68.4 | Low | 76.4 | Confident | 32 Ų | 32 | 46.6 Ų | 46.6 | 17% | 0.171 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -53.5 | -35.8 | -177.6 | -76.6 | -25 | 0 | 0 | 0 | 113 | N236 R802 K808 R848 | N236-D804 PolarHBondContact ND2-OD2 2.92Å; R802-D804 VanDerWaalsContact C-N 3.32Å; R802-D804 PolarHBondContact O-N 3.49Å; R802-D804 VanDerWaalsContact O-N 3.14Å; D804-K808 VanDerWaalsContact O-CB 3.25Å; D804-K808 WeakPolarHBondContact O-CB 3.09Å; D804-K808 WeakPolarHBondContact O-CD 3.16Å; D804-K808 WeakPolarHBondContact O-CG 3.38Å; D804-K808 PolarHBondContact O-N 3.43Å; D804-R848 IonicContact OD1-CZ 3.59Å; D804-R848 IonicContact OD1-NH1 3.29Å; D804-R848 IonicContact OD1-NH2 2.88Å; D804-R848 PolarHBondContact OD1-NH2 3.35Å |
| 805 | T | 66.4 | Low | 76.4 | Confident | 76 Ų | 76 | 46.7 Ų | 46.7 | 47% | 0.466 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -65.5 | -38.3 | 179.2 | 51.2 | 0 | 0 | 0 | 0 | 112.3 | K803 K809 | K803-T805 PolarHBondContact O-N 3.33Å; K803-T805 VanDerWaalsContact O-N 3.13Å; T805-K809 WeakPolarHBondContact O-CG 3.19Å; T805-K809 PolarHBondContact O-N 3.08Å; T805-K809 VanDerWaalsContact O-N 3.14Å |
| 806 | E | 70.8 | Confident | 76.5 | Confident | 4 Ų | 4 | 45.4 Ų | 45.4 | 2% | 0.019 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -70.7 | -46.1 | 177 | -70.1 | -65.2 | 132.5 | 0 | 0 | 111.1 | T772 L777 K803 K808 K809 F810 | T772-E806 VanDerWaalsContact CA-OE2 3.27Å; T772-E806 WeakPolarHBondContact CA-OE2 3.3Å; T772-E806 WeakPolarHBondContact CB-OE2 3.25Å; T772-E806 PolarHBondContact OG1-OE2 2.98Å; L777-E806 HydrophobicContact CD2-CB 4.14Å; K803-E806 HydrophobicContact CB-CB 4.11Å; K803-E806 HydrophobicContact CB-CG 4.21Å; K803-E806 HydrophobicContact CD-CG 4.37Å; K803-E806 PolarHBondContact O-N 2.87Å; E806-K808 PolarHBondContact O-N 2.9Å; E806-K809 WeakPolarHBondContact O-CB 3Å; E806-K809 PolarHBondContact O-N 3.4Å; E806-K809 IonicContact OE1-NZ 2.77Å; E806-K809 PolarHBondContact OE1-NZ 2.98Å; E806-F810 WeakPolarHBondContact O-CD2 3.26Å; E806-F810 PolarHBondContact O-N 3.16Å |
| 807 | L | 74.5 | Confident | 76.9 | Confident | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -56.2 | -40 | 174.7 | -69.3 | 177 | 0 | 0 | 0 | 112.1 | L777 I798 K803 F810 T811 L814 | L777-L807 HydrophobicContact CD1-CD2 3.82Å; I798-L807 HydrophobicContact CB-CD2 4.45Å; I798-L807 HydrophobicContact CG1-CD2 4.32Å; I798-L807 HydrophobicContact CG2-CD2 4.24Å; K803-L807 PolarHBondContact O-N 2.94Å; L807-F810 PolarHBondContact O-N 3.39Å; L807-T811 PolarHBondContact O-N 2.84Å; L807-T811 VanDerWaalsContact O-N 3.1Å; L807-T811 PolarHBondContact O-OG1 2.89Å; L807-L814 HydrophobicContact CD2-CD1 4.17Å |
| 808 | K | 72.9 | Confident | 77.6 | Confident | 68 Ų | 68 | 41 Ų | 41 | 30% | 0.296 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -68.3 | -29.5 | 177.3 | -79.3 | 172.9 | -174.9 | 173.9 | 0 | 114 | D804 E806 T811 R859 | D804-K808 VanDerWaalsContact O-CB 3.25Å; D804-K808 WeakPolarHBondContact O-CB 3.09Å; D804-K808 WeakPolarHBondContact O-CD 3.16Å; D804-K808 WeakPolarHBondContact O-CG 3.38Å; D804-K808 PolarHBondContact O-N 3.43Å; E806-K808 PolarHBondContact O-N 2.9Å; K808-T811 WeakPolarHBondContact CA-OG1 3.49Å; K808-T811 PolarHBondContact O-OG1 3.39Å; K808-R859 PolarHBondContact O-NE 3.21Å |
| 809 | K | 71.3 | Confident | 77.9 | Confident | 65 Ų | 65 | 41 Ų | 41 | 28% | 0.283 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -69.8 | -41.6 | 175.3 | -74 | 169.5 | -173.7 | 179 | 0 | 111.2 | T805 E806 | T805-K809 WeakPolarHBondContact O-CG 3.19Å; T805-K809 PolarHBondContact O-N 3.08Å; T805-K809 VanDerWaalsContact O-N 3.14Å; E806-K809 WeakPolarHBondContact O-CB 3Å; E806-K809 PolarHBondContact O-N 3.4Å; E806-K809 IonicContact OE1-NZ 2.77Å; E806-K809 PolarHBondContact OE1-NZ 2.98Å |
| 810 | F | 75.7 | Confident | 78.1 | Confident | 7 Ų | 7 | 40.9 Ų | 40.9 | 3% | 0.031 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -104.2 | 9.1 | -171.6 | -61.2 | -79.4 | 0 | 0 | 0 | 115 | I580 L777 I781 E806 L807 R812 S813 L814 | I580-F810 HydrophobicContact CG2-CD1 4.16Å; I580-F810 HydrophobicContact CG2-CE1 3.8Å; L777-F810 HydrophobicContact CD2-CB 4.33Å; L777-F810 HydrophobicContact CD2-CD2 3.49Å; L777-F810 VanDerWaalsContact CD2-CD2 3.49Å; L777-F810 HydrophobicContact CD2-CE2 4.17Å; L777-F810 HydrophobicContact CD2-CG 4.18Å; I781-F810 HydrophobicContact CD1-CB 4.06Å; I781-F810 HydrophobicContact CD1-CD1 3.84Å; I781-F810 HydrophobicContact CD1-CE1 4.47Å; I781-F810 HydrophobicContact CD1-CG 3.89Å; E806-F810 WeakPolarHBondContact O-CD2 3.26Å; E806-F810 PolarHBondContact O-N 3.16Å; L807-F810 PolarHBondContact O-N 3.39Å; F810-R812 VanDerWaalsContact C-N 3.3Å; F810-R812 PolarHBondContact O-N 3.48Å; F810-R812 VanDerWaalsContact O-N 3.08Å; F810-S813 PolarHBondContact O-N 3.13Å; F810-L814 HydrophobicContact CB-CD1 4.04Å; F810-L814 HydrophobicContact CB-CG 4.03Å; F810-L814 WeakPolarHBondContact O-CG 3.39Å; F810-L814 PolarHBondContact O-N 3.2Å |
| 811 | T | 79.4 | Confident | 78.4 | Confident | 8 Ų | 8 | 36 Ų | 36 | 5% | 0.049 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -48.6 | -44.2 | -171.6 | -47.2 | 0 | 0 | 0 | 0 | 114.1 | L807 K808 I815 C849 L853 | L807-T811 PolarHBondContact O-N 2.84Å; L807-T811 VanDerWaalsContact O-N 3.1Å; L807-T811 PolarHBondContact O-OG1 2.89Å; K808-T811 WeakPolarHBondContact CA-OG1 3.49Å; K808-T811 PolarHBondContact O-OG1 3.39Å; T811-I815 HydrophobicContact CG2-CD1 3.98Å; T811-I815 VanDerWaalsContact O-CG1 3.28Å; T811-I815 WeakPolarHBondContact O-CG1 3.03Å; T811-I815 PolarHBondContact O-N 3.06Å; T811-C849 HydrophobicContact CG2-CB 4.48Å; T811-L853 HydrophobicContact CG2-CD2 4.08Å |
| 812 | R | 77.8 | Confident | 78.9 | Confident | 94 Ų | 94 | 35.6 Ų | 35.6 | 36% | 0.355 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -63.9 | -48.2 | 177.6 | 175.7 | 178.1 | 168.6 | 154.3 | -6 | 112.3 | F810 L814 I815 D816 I863 Y866 | F810-R812 VanDerWaalsContact C-N 3.3Å; F810-R812 PolarHBondContact O-N 3.48Å; F810-R812 VanDerWaalsContact O-N 3.08Å; R812-L814 VanDerWaalsContact C-N 3.34Å; R812-I815 PolarHBondContact O-N 3.23Å; R812-D816 PolarHBondContact O-N 2.74Å; R812-I863 HydrophobicContact CB-CD1 4.42Å; R812-Y866 HydrophobicContact CG-CG 4.49Å |
| 813 | S | 78.7 | Confident | 79.6 | Confident | 15 Ų | 15 | 28.2 Ų | 28.2 | 11% | 0.105 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.8 | -37.4 | -179 | -175.9 | 0 | 0 | 0 | 0 | 111.5 | F810 D816 N817 | F810-S813 PolarHBondContact O-N 3.13Å; S813-D816 PolarHBondContact O-N 2.89Å; S813-N817 WeakPolarHBondContact O-CB 2.94Å; S813-N817 PolarHBondContact O-N 3.38Å; S813-N817 PolarHBondContact O-ND2 2.9Å; S813-N817 PolarHBondContact OG-ND2 2.78Å |
| 814 | L | 84.1 | Confident | 80.3 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.9 | -48.6 | 175.2 | -66.3 | 167.2 | 0 | 0 | 0 | 111.4 | L777 V780 I781 I798 L807 F810 R812 D816 N817 M818 | L777-L814 HydrophobicContact CD1-CD1 3.68Å; L777-L814 HydrophobicContact CD1-CD2 3.48Å; L777-L814 VanDerWaalsContact CD1-CD2 3.48Å; L777-L814 HydrophobicContact CD1-CG 4.16Å; L777-L814 HydrophobicContact CG-CD2 4.15Å; V780-L814 HydrophobicContact CG1-CD2 4.24Å; I781-L814 HydrophobicContact CD1-CD2 4.35Å; I781-L814 HydrophobicContact CG1-CD2 3.84Å; I798-L814 HydrophobicContact CD1-CD2 4.09Å; L807-L814 HydrophobicContact CD2-CD1 4.17Å; F810-L814 HydrophobicContact CB-CD1 4.04Å; F810-L814 HydrophobicContact CB-CG 4.03Å; F810-L814 WeakPolarHBondContact O-CG 3.39Å; F810-L814 PolarHBondContact O-N 3.2Å; R812-L814 VanDerWaalsContact C-N 3.34Å; L814-D816 VanDerWaalsContact C-N 3.33Å; L814-D816 PolarHBondContact O-N 2.92Å; L814-N817 PolarHBondContact O-N 2.84Å; L814-M818 VanDerWaalsContact O-CB 3.23Å; L814-M818 WeakPolarHBondContact O-CB 3.43Å; L814-M818 WeakPolarHBondContact O-CG 3.49Å; L814-M818 PolarHBondContact O-N 3.2Å |
| 815 | I | 85.4 | Confident | 81.1 | Confident | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.01 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -58.9 | -47.4 | 177.2 | -69.3 | 167.2 | 0 | 0 | 0 | 109.9 | T811 R812 N817 M818 L819 L846 C849 Y850 L853 I863 | T811-I815 HydrophobicContact CG2-CD1 3.98Å; T811-I815 VanDerWaalsContact O-CG1 3.28Å; T811-I815 WeakPolarHBondContact O-CG1 3.03Å; T811-I815 PolarHBondContact O-N 3.06Å; R812-I815 PolarHBondContact O-N 3.23Å; I815-N817 PolarHBondContact O-N 3.29Å; I815-M818 PolarHBondContact O-N 3.46Å; I815-L819 HydrophobicContact CG2-CD1 3.79Å; I815-L819 HydrophobicContact CG2-CG 4.21Å; I815-L819 WeakPolarHBondContact O-CB 3.33Å; I815-L819 WeakPolarHBondContact O-CG 3.22Å; I815-L819 PolarHBondContact O-N 2.7Å; I815-L846 HydrophobicContact CG1-CD2 4.48Å; I815-C849 HydrophobicContact CG1-CB 4.25Å; I815-Y850 HydrophobicContact CD1-CD1 4.3Å; I815-Y850 HydrophobicContact CD1-CE1 4.08Å; I815-Y850 HydrophobicContact CG1-CE1 4.29Å; I815-L853 HydrophobicContact CD1-CD1 4.27Å; I815-I863 HydrophobicContact CD1-CD1 3.74Å; I815-I863 HydrophobicContact CD1-CG1 4.43Å |
| 816 | D | 84.5 | Confident | 81.7 | Confident | 36 Ų | 36 | 23.3 Ų | 23.3 | 19% | 0.193 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -58.9 | -50 | 178.8 | -173 | 52.8 | 0 | 0 | 0 | 112.9 | R812 S813 L814 M818 L819 Q820 Y866 Y874 | R812-D816 PolarHBondContact O-N 2.74Å; S813-D816 PolarHBondContact O-N 2.89Å; L814-D816 VanDerWaalsContact C-N 3.33Å; L814-D816 PolarHBondContact O-N 2.92Å; D816-M818 PolarHBondContact O-N 3.27Å; D816-L819 PolarHBondContact O-N 3.16Å; D816-Q820 WeakPolarHBondContact O-CG 3.49Å; D816-Q820 PolarHBondContact O-N 3.15Å; D816-Q820 PolarHBondContact OD2-NE2 3.42Å; D816-Y866 PolarHBondContact OD1-OH 2.76Å; D816-Y874 WeakPolarHBondContact OD1-CE2 3.49Å; D816-Y874 VanDerWaalsContact OD1-CZ 3.25Å; D816-Y874 PolarHBondContact OD1-OH 3.03Å |
| 817 | N | 86.4 | Confident | 81.9 | Confident | 13 Ų | 13 | 26.2 Ų | 26.2 | 7% | 0.07 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.1 | -39.1 | 178.5 | -77.6 | -65.2 | 0 | 0 | 0 | 112.8 | I781 S813 L814 I815 L819 Q820 L821 | I781-N817 PolarHBondContact O-OD1 2.94Å; S813-N817 WeakPolarHBondContact O-CB 2.94Å; S813-N817 PolarHBondContact O-N 3.38Å; S813-N817 PolarHBondContact O-ND2 2.9Å; S813-N817 PolarHBondContact OG-ND2 2.78Å; L814-N817 PolarHBondContact O-N 2.84Å; I815-N817 PolarHBondContact O-N 3.29Å; N817-L819 VanDerWaalsContact C-N 3.33Å; N817-Q820 WeakPolarHBondContact O-CB 3.5Å; N817-Q820 PolarHBondContact O-N 3.22Å; N817-L821 PolarHBondContact O-N 3.49Å |
| 818 | M | 90 | Very high | 81.6 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -68 | -34.1 | 176.8 | -72.6 | -173.9 | 77.2 | 0 | 0 | 112.2 | V780 L794 I798 L814 I815 D816 L821 L822 L842 L846 | V780-M818 HydrophobicContact CG1-CG 4.46Å; L794-M818 HydrophobicContact CD2-CE 3.82Å; L794-M818 HydrophobicContact CD2-CG 4.31Å; L794-M818 HydrophobicContact CD2-SD 4.33Å; I798-M818 HydrophobicContact CD1-SD 3.87Å; L814-M818 VanDerWaalsContact O-CB 3.23Å; L814-M818 WeakPolarHBondContact O-CB 3.43Å; L814-M818 WeakPolarHBondContact O-CG 3.49Å; L814-M818 PolarHBondContact O-N 3.2Å; I815-M818 PolarHBondContact O-N 3.46Å; D816-M818 PolarHBondContact O-N 3.27Å; M818-L821 PolarHBondContact O-N 3.37Å; M818-L822 WeakPolarHBondContact O-CB 3.47Å; M818-L822 PolarHBondContact O-N 2.99Å; M818-L842 HydrophobicContact CB-CD2 4.17Å; M818-L842 HydrophobicContact CE-CB 4.22Å; M818-L842 HydrophobicContact CE-CD2 3.81Å; M818-L842 WeakPolarHBondContact CE-O 2.95Å; M818-L842 HydrophobicContact CG-CD2 4.2Å; M818-L846 HydrophobicContact CB-CD2 3.75Å; M818-L846 HydrophobicContact CB-CG 4.21Å; M818-L846 HydrophobicContact CE-CB 4.46Å; M818-L846 HydrophobicContact CE-CD2 4.29Å; M818-L846 HydrophobicContact CE-CG 3.82Å; M818-L846 HydrophobicContact SD-CD2 4.04Å; M818-L846 HydrophobicContact SD-CG 4.22Å |
| 819 | L | 89.6 | Confident | 81.4 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -68 | -39.6 | 172.4 | -72 | 177.5 | 0 | 0 | 0 | 111.3 | I815 D816 N817 L822 M823 L846 F872 Y874 I877 Y881 I972 | I815-L819 HydrophobicContact CG2-CD1 3.79Å; I815-L819 HydrophobicContact CG2-CG 4.21Å; I815-L819 WeakPolarHBondContact O-CB 3.33Å; I815-L819 WeakPolarHBondContact O-CG 3.22Å; I815-L819 PolarHBondContact O-N 2.7Å; D816-L819 PolarHBondContact O-N 3.16Å; N817-L819 VanDerWaalsContact C-N 3.33Å; L819-L822 WeakPolarHBondContact O-CB 3.17Å; L819-L822 PolarHBondContact O-N 3.4Å; L819-M823 PolarHBondContact O-N 2.98Å; L819-L846 HydrophobicContact CD2-CD1 4.45Å; L819-F872 HydrophobicContact CD1-CE2 3.97Å; L819-Y874 HydrophobicContact CB-CD2 4.36Å; L819-Y874 HydrophobicContact CB-CE2 4.3Å; L819-Y874 HydrophobicContact CD1-CD2 4.34Å; L819-I877 HydrophobicContact CB-CD1 3.44Å; L819-I877 VanDerWaalsContact CB-CD1 3.44Å; L819-I877 HydrophobicContact CD2-CD1 3.49Å; L819-I877 VanDerWaalsContact CD2-CD1 3.49Å; L819-I877 HydrophobicContact CD2-CG1 4.32Å; L819-I877 HydrophobicContact CG-CD1 3.96Å; L819-I877 WeakPolarHBondContact O-CD1 3.48Å; L819-Y881 HydrophobicContact CD2-CE2 4.3Å; L819-I972 HydrophobicContact CD1-CD1 4.46Å; L819-I972 HydrophobicContact CD1-CG2 4.36Å; L819-I972 HydrophobicContact CD2-CD1 4.5Å; L819-I972 HydrophobicContact CD2-CG2 4.07Å |
| 820 | Q | 86.4 | Confident | 81.2 | Confident | 33 Ų | 33 | 34 Ų | 34 | 15% | 0.154 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61 | -45 | 171.4 | -67.5 | 173.7 | 28.9 | 0 | 0 | 111.8 | W783 R784 D816 N817 L822 M823 Y874 | W783-Q820 HydrophobicContact CZ2-CB 4.2Å; R784-Q820 VanDerWaalsContact CZ-OE1 3.26Å; D816-Q820 WeakPolarHBondContact O-CG 3.49Å; D816-Q820 PolarHBondContact O-N 3.15Å; D816-Q820 PolarHBondContact OD2-NE2 3.42Å; N817-Q820 WeakPolarHBondContact O-CB 3.5Å; N817-Q820 PolarHBondContact O-N 3.22Å; Q820-L822 VanDerWaalsContact C-N 3.31Å; Q820-L822 PolarHBondContact O-N 3.05Å; Q820-M823 WeakPolarHBondContact O-CB 3.43Å; Q820-M823 PolarHBondContact O-N 2.79Å; Q820-Y874 HydrophobicContact CG-CE1 3.68Å; Q820-Y874 WeakPolarHBondContact CG-OH 3.45Å; Q820-Y874 PolarHBondContact NE2-OH 2.72Å |
| 821 | L | 87 | Confident | 80.8 | Confident | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.016 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60 | -39.9 | 174.7 | -91.6 | 149.8 | 0 | 0 | 0 | 111.9 | W783 I790 N817 M818 M823 T824 L842 | W783-L821 HydrophobicContact CB-CD1 3.9Å; W783-L821 HydrophobicContact CD2-CD1 3.9Å; W783-L821 HydrophobicContact CD2-CD2 3.87Å; W783-L821 HydrophobicContact CD2-CG 3.61Å; W783-L821 HydrophobicContact CE3-CD2 3.65Å; W783-L821 HydrophobicContact CE3-CG 3.91Å; W783-L821 HydrophobicContact CG-CD1 3.58Å; W783-L821 HydrophobicContact CG-CD2 4.31Å; W783-L821 HydrophobicContact CG-CG 3.89Å; W783-L821 HydrophobicContact CZ2-CG 4.28Å; W783-L821 HydrophobicContact CZ3-CD2 4.06Å; W783-L821 HydrophobicContact CZ3-CG 4.36Å; I790-L821 HydrophobicContact CD1-CD1 4.34Å; I790-L821 HydrophobicContact CG1-CD1 4.29Å; I790-L821 HydrophobicContact CG1-CD2 4.1Å; N817-L821 PolarHBondContact O-N 3.49Å; M818-L821 PolarHBondContact O-N 3.37Å; L821-M823 PolarHBondContact O-N 2.83Å; L821-T824 WeakPolarHBondContact O-CB 3.44Å; L821-T824 PolarHBondContact O-N 3.38Å; L821-T824 PolarHBondContact O-OG1 3.28Å; L821-L842 HydrophobicContact CB-CD1 3.93Å; L821-L842 HydrophobicContact CB-CD2 3.69Å; L821-L842 HydrophobicContact CB-CG 4.48Å; L821-L842 HydrophobicContact CD1-CD2 4.2Å; L821-L842 HydrophobicContact CG-CD2 4.46Å |
| 822 | L | 88.6 | Confident | 80.4 | Confident | 3 Ų | 3 | 44.9 Ų | 44.9 | 2% | 0.016 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62 | -31.1 | 178 | -173.3 | 63.9 | 0 | 0 | 0 | 112.5 | M818 L819 Q820 T824 T825 L842 I877 P880 Y881 L884 | M818-L822 WeakPolarHBondContact O-CB 3.47Å; M818-L822 PolarHBondContact O-N 2.99Å; L819-L822 WeakPolarHBondContact O-CB 3.17Å; L819-L822 PolarHBondContact O-N 3.4Å; Q820-L822 VanDerWaalsContact C-N 3.31Å; Q820-L822 PolarHBondContact O-N 3.05Å; L822-T824 PolarHBondContact O-N 2.94Å; L822-T825 PolarHBondContact O-N 3.09Å; L822-T825 PolarHBondContact O-OG1 2.89Å; L822-L842 HydrophobicContact CB-CD1 4.38Å; L822-L842 HydrophobicContact CD1-CD1 4.43Å; L822-I877 HydrophobicContact CB-CD1 4.36Å; L822-I877 HydrophobicContact CD2-CD1 4.24Å; L822-I877 HydrophobicContact CD2-CG1 3.92Å; L822-I877 HydrophobicContact CG-CG1 4.45Å; L822-P880 HydrophobicContact CD1-CB 4.4Å; L822-P880 HydrophobicContact CG-CB 4.17Å; L822-P880 HydrophobicContact CG-CG 4.26Å; L822-Y881 HydrophobicContact CD2-CD2 3.4Å; L822-Y881 HydrophobicContact CD2-CE2 4.05Å; L822-Y881 HydrophobicContact CD2-CG 3.85Å; L822-L884 HydrophobicContact CD1-CD2 4.31Å |
| 823 | M | 84.5 | Confident | 80.4 | Confident | 50 Ų | 50 | 42.7 Ų | 42.7 | 25% | 0.246 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.2 | -23 | 173.8 | -66.9 | -60.6 | -61.6 | 0 | 0 | 113.2 | L819 Q820 L821 T825 K876 I877 P880 | L819-M823 PolarHBondContact O-N 2.98Å; Q820-M823 WeakPolarHBondContact O-CB 3.43Å; Q820-M823 PolarHBondContact O-N 2.79Å; L821-M823 PolarHBondContact O-N 2.83Å; M823-T825 VanDerWaalsContact C-N 3.35Å; M823-K876 HydrophobicContact CE-CB 3.93Å; M823-I877 HydrophobicContact CG-CD1 4.17Å; M823-I877 HydrophobicContact CG-CG1 4.42Å; M823-I877 WeakPolarHBondContact SD-CA 3.38Å; M823-I877 HydrophobicContact SD-CB 3.71Å; M823-I877 HydrophobicContact SD-CD1 4.23Å; M823-I877 HydrophobicContact SD-CG1 3.85Å; M823-P880 HydrophobicContact SD-CG 4.07Å |
| 824 | T | 84.5 | Confident | 80.4 | Confident | 72 Ų | 72 | 47.7 Ų | 47.7 | 44% | 0.442 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -8.5 | 178.7 | 70.4 | 0 | 0 | 0 | 0 | 113.7 | W783 L821 L822 T826 | W783-T824 HydrophobicContact CH2-CG2 3.99Å; L821-T824 WeakPolarHBondContact O-CB 3.44Å; L821-T824 PolarHBondContact O-N 3.38Å; L821-T824 PolarHBondContact O-OG1 3.28Å; L822-T824 PolarHBondContact O-N 2.94Å; T824-T826 VanDerWaalsContact C-N 3.3Å; T824-T826 PolarHBondContact O-N 3.1Å |
| 825 | T | 83.9 | Confident | 80.3 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -12.7 | -178.3 | 62.5 | 0 | 0 | 0 | 0 | 113.8 | L822 M823 I833 I834 N835 L838 L842 | L822-T825 PolarHBondContact O-N 3.09Å; L822-T825 PolarHBondContact O-OG1 2.89Å; M823-T825 VanDerWaalsContact C-N 3.35Å; T825-I833 CarbonylContact O-C 3.59Å; T825-I833 WeakPolarHBondContact O-CA 3.36Å; T825-I834 PolarHBondContact O-N 3.07Å; T825-N835 PolarHBondContact O-N 3.39Å; T825-L838 HydrophobicContact CG2-CB 4.43Å; T825-L838 HydrophobicContact CG2-CD2 4.11Å; T825-L838 HydrophobicContact CG2-CG 4.08Å; T825-L842 HydrophobicContact CG2-CD1 3.92Å |
| 826 | T | 80.7 | Confident | 80.1 | Confident | 11 Ų | 11 | 53.4 Ų | 53.4 | 7% | 0.067 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | -110.6 | 154.3 | 179.3 | 52.9 | 0 | 0 | 0 | 0 | 111.9 | T824 H830 H832 I833 P880 | T824-T826 VanDerWaalsContact C-N 3.3Å; T824-T826 PolarHBondContact O-N 3.1Å; T826-H830 PolarHBondContact OG1-ND1 2.75Å; T826-H832 WeakPolarHBondContact CA-O 3.47Å; T826-I833 HydrophobicContact CG2-CG1 4.49Å; T826-P880 HydrophobicContact CG2-CB 3.66Å |
| 827 | D | 74.2 | Confident | 80 | Confident | 65 Ų | 65 | 55.7 Ų | 55.7 | 35% | 0.348 | 29% | 0.285 | S | S | . | . | trans | -63.8 | 166.4 | 172.1 | -166.4 | 18.7 | 0 | 0 | 0 | 113.2 | T829 H830 H832 I834 | D827-T829 PolarHBondContact O-N 3.07Å; D827-T829 VanDerWaalsContact O-N 3.15Å; D827-H830 WeakPolarHBondContact O-CA 3.38Å; D827-H830 PolarHBondContact O-N 3.41Å; D827-H832 PolarHBondContact N-O 3.28Å; D827-I834 VanDerWaalsContact CA-CD1 3.47Å; D827-I834 HydrophobicContact CB-CD1 3.79Å; D827-I834 HydrophobicContact CB-CG1 4.06Å | ||
| 828 | E | 68 | Low | 80 | Confident | 182 Ų | 182 | 55.7 Ų | 55.7 | 85% | 0.85 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -29.8 | 179.6 | -68.7 | -165.8 | 166.4 | 0 | 0 | 112.6 | H830 | E828-H830 PolarHBondContact O-N 3.44Š|
| 829 | T | 68.2 | Low | 79.9 | Confident | 81 Ų | 81 | 55.7 Ų | 55.7 | 50% | 0.497 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -11.1 | 174.7 | 59.8 | 0 | 0 | 0 | 0 | 113.3 | D827 Q831 | D827-T829 PolarHBondContact O-N 3.07Å; D827-T829 VanDerWaalsContact O-N 3.15Å; T829-Q831 PolarHBondContact O-N 3.36Å; T829-Q831 VanDerWaalsContact O-N 3.16Å; T829-Q831 PolarHBondContact OG1-N 2.91Å |
| 830 | H | 66.9 | Low | 79.9 | Confident | 38 Ų | 38 | 55.9 Ų | 55.9 | 18% | 0.176 | 29% | 0.285 | C | S | . | . | S | Bend | trans | 54.3 | 19.7 | -169.9 | -58.6 | -68.3 | 0 | 0 | 0 | 114.9 | T826 D827 E828 I879 Q883 | T826-H830 PolarHBondContact OG1-ND1 2.75Å; D827-H830 WeakPolarHBondContact O-CA 3.38Å; D827-H830 PolarHBondContact O-N 3.41Å; E828-H830 PolarHBondContact O-N 3.44Å; H830-I879 HydrophobicContact CB-CD1 4.45Å; H830-I879 HydrophobicContact CB-CG2 4.17Å; H830-Q883 PolarHBondContact O-NE2 3.47Å |
| 831 | Q | 67.2 | Low | 79.8 | Confident | 134 Ų | 134 | 54.3 Ų | 54.3 | 63% | 0.626 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -89 | -29.8 | -178 | -70.3 | -176.3 | -10.1 | 0 | 0 | 113.6 | T829 | T829-Q831 PolarHBondContact O-N 3.36Å; T829-Q831 VanDerWaalsContact O-N 3.16Å; T829-Q831 PolarHBondContact OG1-N 2.91Å |
| 832 | H | 72.6 | Confident | 79.9 | Confident | 110 Ų | 110 | 54.2 Ų | 54.2 | 51% | 0.509 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -128.7 | 139.2 | -175.5 | -63 | -58.2 | 0 | 0 | 0 | 111.9 | T826 D827 I834 | T826-H832 WeakPolarHBondContact CA-O 3.47Å; D827-H832 PolarHBondContact N-O 3.28Å; H832-I834 PolarHBondContact O-N 2.95Å |
| 833 | I | 78.2 | Confident | 80 | Confident | 48 Ų | 48 | 54.3 Ų | 54.3 | 25% | 0.246 | 28% | 0.278 | C | S | . | . | B | Isolated β-bridge | trans | -77.2 | 114.8 | 170.8 | -59.7 | 175.3 | 0 | 0 | 0 | 107.6 | T825 T826 L836 Q883 L884 | T825-I833 CarbonylContact O-C 3.59Å; T825-I833 WeakPolarHBondContact O-CA 3.36Å; T826-I833 HydrophobicContact CG2-CG1 4.49Å; I833-L836 HydrophobicContact CD1-CD1 4.1Å; I833-L836 HydrophobicContact CG2-CB 4.27Å; I833-L836 HydrophobicContact CG2-CD1 4.2Å; I833-Q883 HydrophobicContact CD1-CB 3.91Å; I833-Q883 HydrophobicContact CG1-CB 4.22Å; I833-L884 HydrophobicContact CD1-CD1 4.45Å |
| 834 | I | 77.6 | Confident | 80.1 | Confident | 119 Ų | 119 | 52 Ų | 52 | 61% | 0.61 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -76.9 | -39.5 | 177.1 | -62.3 | 172.8 | 0 | 0 | 0 | 110.1 | T825 D827 H832 | T825-I834 PolarHBondContact O-N 3.07Å; D827-I834 VanDerWaalsContact CA-CD1 3.47Å; D827-I834 HydrophobicContact CB-CD1 3.79Å; D827-I834 HydrophobicContact CB-CG1 4.06Å; H832-I834 PolarHBondContact O-N 2.95Å |
| 835 | N | 81.1 | Confident | 80.3 | Confident | 65 Ų | 65 | 48.6 Ų | 48.6 | 35% | 0.348 | 25% | 0.246 | S | C | . | . | trans | -130.1 | 80.8 | -170.9 | -159.7 | -15.4 | 0 | 0 | 0 | 112.5 | T825 N837 L838 G839 | T825-N835 PolarHBondContact O-N 3.39Å; N835-N837 PolarHBondContact O-N 2.86Å; N835-L838 HydrophobicContact CB-CB 4.13Å; N835-L838 PolarHBondContact O-N 3.35Å; N835-L838 PolarHBondContact OD1-N 2.91Å; N835-G839 PolarHBondContact O-N 2.85Å; N835-G839 VanDerWaalsContact O-N 3.1Å | ||
| 836 | L | 83.1 | Confident | 80.5 | Confident | 58 Ų | 58 | 48.6 Ų | 48.6 | 30% | 0.304 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62 | -41.3 | -176.7 | -170.1 | 67.9 | 0 | 0 | 0 | 112.8 | I833 L838 G839 Y840 L884 A887 | I833-L836 HydrophobicContact CD1-CD1 4.1Å; I833-L836 HydrophobicContact CG2-CB 4.27Å; I833-L836 HydrophobicContact CG2-CD1 4.2Å; L836-L838 PolarHBondContact O-N 2.97Å; L836-G839 WeakPolarHBondContact O-CA 3.41Å; L836-G839 PolarHBondContact O-N 3.05Å; L836-G839 VanDerWaalsContact O-N 3.15Å; L836-Y840 HydrophobicContact CD1-CD1 4.35Å; L836-Y840 HydrophobicContact CD1-CE1 3.73Å; L836-Y840 HydrophobicContact CD1-CE2 4.31Å; L836-Y840 HydrophobicContact CD2-CE2 3.86Å; L836-Y840 HydrophobicContact CG-CD2 4.19Å; L836-Y840 HydrophobicContact CG-CE1 4.06Å; L836-Y840 HydrophobicContact CG-CE2 3.74Å; L836-Y840 PolarHBondContact O-N 2.88Å; L836-L884 HydrophobicContact CD1-CD1 3.94Å; L836-A887 HydrophobicContact CD1-CB 4.03Å |
| 837 | N | 82.2 | Confident | 80.9 | Confident | 84 Ų | 84 | 48.2 Ų | 48.2 | 45% | 0.449 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.3 | -40.8 | -179.6 | -69.7 | -13.8 | 0 | 0 | 0 | 112.5 | N835 S841 F953 | N835-N837 PolarHBondContact O-N 2.86Å; N837-S841 PolarHBondContact O-N 2.84Å; N837-S841 VanDerWaalsContact O-N 3.14Å; N837-S841 PolarHBondContact O-OG 3.26Å; N837-F953 HydrophobicContact CB-CE2 3.91Å; N837-F953 HydrophobicContact CB-CZ 4.23Å; N837-F953 WeakPolarHBondContact O-CZ 3.35Å |
| 838 | L | 86.6 | Confident | 81.6 | Confident | 12 Ų | 12 | 46.8 Ų | 46.8 | 6% | 0.063 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.7 | -46 | 173.1 | 177.9 | 60.3 | 0 | 0 | 0 | 110.4 | I790 I791 L794 T825 N835 L836 Y840 S841 L842 | I790-L838 HydrophobicContact CG2-CD1 3.83Å; I791-L838 HydrophobicContact CD1-CB 4.35Å; I791-L838 HydrophobicContact CG1-CB 4.37Å; I791-L838 HydrophobicContact CG1-CD1 3.92Å; L794-L838 HydrophobicContact CD1-CD1 4.03Å; T825-L838 HydrophobicContact CG2-CB 4.43Å; T825-L838 HydrophobicContact CG2-CD2 4.11Å; T825-L838 HydrophobicContact CG2-CG 4.08Å; N835-L838 HydrophobicContact CB-CB 4.13Å; N835-L838 PolarHBondContact O-N 3.35Å; N835-L838 PolarHBondContact OD1-N 2.91Å; L836-L838 PolarHBondContact O-N 2.97Å; L838-Y840 PolarHBondContact O-N 2.8Å; L838-S841 PolarHBondContact O-N 3.48Å; L838-L842 HydrophobicContact CD1-CD1 4.33Å; L838-L842 HydrophobicContact CD1-CG 4.37Å; L838-L842 HydrophobicContact CG-CD1 4.05Å; L838-L842 WeakPolarHBondContact O-CG 3.18Å; L838-L842 PolarHBondContact O-N 2.88Å |
| 839 | G | 87.8 | Confident | 82.4 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -52.5 | -54.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | N835 L836 S841 L842 L843 L884 | N835-G839 PolarHBondContact O-N 2.85Å; N835-G839 VanDerWaalsContact O-N 3.1Å; L836-G839 WeakPolarHBondContact O-CA 3.41Å; L836-G839 PolarHBondContact O-N 3.05Å; L836-G839 VanDerWaalsContact O-N 3.15Å; G839-S841 VanDerWaalsContact C-N 3.32Å; G839-S841 PolarHBondContact O-N 2.83Å; G839-L842 WeakPolarHBondContact O-CB 3.44Å; G839-L842 PolarHBondContact O-N 3.18Å; G839-L842 VanDerWaalsContact O-N 3.08Å; G839-L843 PolarHBondContact O-N 3.05Å; G839-L884 WeakPolarHBondContact O-CD2 3.25Å |
| 840 | Y | 88.3 | Confident | 83.3 | Confident | 4 Ų | 4 | 34.6 Ų | 34.6 | 2% | 0.016 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60 | -39.5 | -179.6 | -69 | -20 | 0 | 0 | 0 | 113.2 | L836 L838 L842 L843 M844 L884 A887 M888 E891 F953 F954 | L836-Y840 HydrophobicContact CD1-CD1 4.35Å; L836-Y840 HydrophobicContact CD1-CE1 3.73Å; L836-Y840 HydrophobicContact CD1-CE2 4.31Å; L836-Y840 HydrophobicContact CD2-CE2 3.86Å; L836-Y840 HydrophobicContact CG-CD2 4.19Å; L836-Y840 HydrophobicContact CG-CE1 4.06Å; L836-Y840 HydrophobicContact CG-CE2 3.74Å; L836-Y840 PolarHBondContact O-N 2.88Å; L838-Y840 PolarHBondContact O-N 2.8Å; Y840-L842 VanDerWaalsContact C-N 3.33Å; Y840-L842 PolarHBondContact O-N 2.93Å; Y840-L843 PolarHBondContact O-N 3.41Å; Y840-M844 WeakPolarHBondContact O-CG 3.28Å; Y840-M844 PolarHBondContact O-N 2.86Å; Y840-M844 VanDerWaalsContact O-N 3.08Å; Y840-L884 HydrophobicContact CD1-CD1 3.48Å; Y840-L884 VanDerWaalsContact CD1-CD1 3.48Å; Y840-L884 HydrophobicContact CD1-CG 4.09Å; Y840-L884 HydrophobicContact CE1-CD1 3.72Å; Y840-L884 HydrophobicContact CE1-CG 4.39Å; Y840-A887 HydrophobicContact CE1-CB 4.41Å; Y840-M888 HydrophobicContact CE1-CB 4.46Å; Y840-E891 VanDerWaalsContact CE2-OE2 3.3Å; Y840-E891 WeakPolarHBondContact CE2-OE2 3.06Å; Y840-E891 VanDerWaalsContact CZ-OE2 3.3Å; Y840-E891 PolarHBondContact OH-OE2 3Å; Y840-F953 VanDerWaalsContact CB-CD1 3.44Å; Y840-F953 HydrophobicContact CD2-CB 4.11Å; Y840-F953 AromaticContact CD2-CD1 3.43Å; Y840-F953 HydrophobicContact CD2-CD1 3.43Å; Y840-F953 VanDerWaalsContact CD2-CD1 3.43Å; Y840-F953 HydrophobicContact CD2-CD2 4.39Å; Y840-F953 AromaticContact CD2-CE1 3.92Å; Y840-F953 HydrophobicContact CD2-CE1 3.92Å; Y840-F953 AromaticContact CD2-CG 3.72Å; Y840-F953 HydrophobicContact CD2-CG 3.72Å; Y840-F953 HydrophobicContact CE2-CB 4.42Å; Y840-F953 HydrophobicContact CE2-CD1 4.47Å; Y840-F953 HydrophobicContact CE2-CG 4.47Å; Y840-F953 AromaticContact CG-CD1 3.88Å; Y840-F953 HydrophobicContact CG-CD1 3.88Å; Y840-F953 HydrophobicContact CG-CE1 4.04Å; Y840-F954 AromaticContact CD1-CE2 3.52Å; Y840-F954 HydrophobicContact CD1-CE2 3.52Å; Y840-F954 AromaticContact CD1-CZ 3.35Å; Y840-F954 HydrophobicContact CD1-CZ 3.35Å; Y840-F954 AromaticContact CD2-CE2 3.8Å; Y840-F954 HydrophobicContact CD2-CE2 3.8Å; Y840-F954 HydrophobicContact CD2-CZ 4.16Å; Y840-F954 AromaticContact CE1-CE2 3.63Å; Y840-F954 HydrophobicContact CE1-CE2 3.63Å; Y840-F954 AromaticContact CE1-CZ 3.89Å; Y840-F954 HydrophobicContact CE1-CZ 3.89Å; Y840-F954 AromaticContact CE2-CE2 3.85Å; Y840-F954 HydrophobicContact CE2-CE2 3.85Å; Y840-F954 HydrophobicContact CG-CE1 4.46Å; Y840-F954 AromaticContact CG-CE2 3.61Å; Y840-F954 HydrophobicContact CG-CE2 3.61Å; Y840-F954 AromaticContact CG-CZ 3.5Å; Y840-F954 HydrophobicContact CG-CZ 3.5Å; Y840-F954 VanDerWaalsContact CG-CZ 3.5Å; Y840-F954 AromaticContact CZ-CE2 3.75Å |
| 841 | S | 85.6 | Confident | 83.9 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.007 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.4 | -38.1 | 175.3 | -56.2 | 0 | 0 | 0 | 0 | 112.3 | N837 L838 G839 G845 | N837-S841 PolarHBondContact O-N 2.84Å; N837-S841 VanDerWaalsContact O-N 3.14Å; N837-S841 PolarHBondContact O-OG 3.26Å; L838-S841 PolarHBondContact O-N 3.48Å; G839-S841 VanDerWaalsContact C-N 3.32Å; G839-S841 PolarHBondContact O-N 2.83Å; S841-G845 PolarHBondContact O-N 2.96Å |
| 842 | L | 88.9 | Confident | 84.2 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.1 | -41.3 | 173.4 | -69.1 | 164.9 | 0 | 0 | 0 | 111.6 | L794 M818 L821 L822 T825 L838 G839 Y840 M844 G845 L846 | L794-L842 HydrophobicContact CD1-CD2 3.5Å; L794-L842 VanDerWaalsContact CD1-CD2 3.5Å; L794-L842 HydrophobicContact CD1-CG 3.82Å; L794-L842 HydrophobicContact CD2-CD2 4.14Å; L794-L842 HydrophobicContact CG-CD2 4.48Å; M818-L842 HydrophobicContact CB-CD2 4.17Å; M818-L842 HydrophobicContact CE-CB 4.22Å; M818-L842 HydrophobicContact CE-CD2 3.81Å; M818-L842 WeakPolarHBondContact CE-O 2.95Å; M818-L842 HydrophobicContact CG-CD2 4.2Å; L821-L842 HydrophobicContact CB-CD1 3.93Å; L821-L842 HydrophobicContact CB-CD2 3.69Å; L821-L842 HydrophobicContact CB-CG 4.48Å; L821-L842 HydrophobicContact CD1-CD2 4.2Å; L821-L842 HydrophobicContact CG-CD2 4.46Å; L822-L842 HydrophobicContact CB-CD1 4.38Å; L822-L842 HydrophobicContact CD1-CD1 4.43Å; T825-L842 HydrophobicContact CG2-CD1 3.92Å; L838-L842 HydrophobicContact CD1-CD1 4.33Å; L838-L842 HydrophobicContact CD1-CG 4.37Å; L838-L842 HydrophobicContact CG-CD1 4.05Å; L838-L842 WeakPolarHBondContact O-CG 3.18Å; L838-L842 PolarHBondContact O-N 2.88Å; G839-L842 WeakPolarHBondContact O-CB 3.44Å; G839-L842 PolarHBondContact O-N 3.18Å; G839-L842 VanDerWaalsContact O-N 3.08Å; Y840-L842 VanDerWaalsContact C-N 3.33Å; Y840-L842 PolarHBondContact O-N 2.93Å; L842-M844 PolarHBondContact O-N 3.07Å; L842-G845 PolarHBondContact O-N 2.92Å; L842-L846 WeakPolarHBondContact O-CB 3.48Å; L842-L846 WeakPolarHBondContact O-CG 3.28Å; L842-L846 PolarHBondContact O-N 2.9Å |
| 843 | L | 89.2 | Confident | 84.2 | Confident | 5 Ų | 5 | 26.3 Ų | 26.3 | 3% | 0.026 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.7 | -42.9 | 178.6 | -169.2 | 64.5 | 0 | 0 | 0 | 111.8 | G839 Y840 A847 Y881 L884 L885 M888 F954 I962 | G839-L843 PolarHBondContact O-N 3.05Å; Y840-L843 PolarHBondContact O-N 3.41Å; L843-A847 VanDerWaalsContact O-CB 3.3Å; L843-A847 WeakPolarHBondContact O-CB 3.48Å; L843-A847 PolarHBondContact O-N 2.84Å; L843-Y881 HydrophobicContact CD1-CE1 3.75Å; L843-L884 HydrophobicContact CB-CD2 3.86Å; L843-L884 HydrophobicContact CD2-CD2 4.31Å; L843-L884 HydrophobicContact CG-CD2 4.48Å; L843-L885 HydrophobicContact CD1-CD2 4.05Å; L843-L885 HydrophobicContact CD2-CD2 4.15Å; L843-M888 HydrophobicContact CD2-SD 3.87Å; L843-F954 HydrophobicContact CD2-CZ 4.3Å; L843-I962 HydrophobicContact CD1-CG2 4.33Å; L843-I962 HydrophobicContact CD2-CD1 3.8Å; L843-I962 HydrophobicContact CD2-CG1 4.44Å; L843-I962 HydrophobicContact CD2-CG2 4.1Å; L843-I962 HydrophobicContact CG-CD1 3.82Å; L843-I962 HydrophobicContact CG-CG1 4.09Å; L843-I962 HydrophobicContact CG-CG2 4.1Å |
| 844 | M | 87.8 | Confident | 83.7 | Confident | 3 Ų | 3 | 27.5 Ų | 27.5 | 2% | 0.015 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64 | -44.5 | 175.7 | -68.5 | -174.4 | -69.2 | 0 | 0 | 112.3 | Y799 Y840 L842 A847 R848 F953 F954 A958 I962 | Y799-M844 HydrophobicContact CD2-CB 3.99Å; Y799-M844 HydrophobicContact CE1-SD 4.47Å; Y799-M844 HydrophobicContact CG-CB 4.12Å; Y840-M844 WeakPolarHBondContact O-CG 3.28Å; Y840-M844 PolarHBondContact O-N 2.86Å; Y840-M844 VanDerWaalsContact O-N 3.08Å; L842-M844 PolarHBondContact O-N 3.07Å; M844-A847 PolarHBondContact O-N 2.84Å; M844-R848 PolarHBondContact O-N 3.39Å; M844-F953 HydrophobicContact CE-CD1 4.4Å; M844-F953 HydrophobicContact CE-CE1 3.73Å; M844-F954 HydrophobicContact CG-CD1 4.15Å; M844-F954 HydrophobicContact CG-CE1 3.96Å; M844-F954 HydrophobicContact SD-CD1 4.12Å; M844-F954 HydrophobicContact SD-CE1 4.38Å; M844-A958 HydrophobicContact CG-CB 4.11Å; M844-A958 HydrophobicContact SD-CB 3.82Å; M844-I962 HydrophobicContact CG-CD1 4.33Å |
| 845 | G | 87.5 | Confident | 83.2 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66.9 | -38.9 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | I798 S841 L842 R848 C849 | I798-G845 WeakPolarHBondContact CG2-O 3.36Å; S841-G845 PolarHBondContact O-N 2.96Å; L842-G845 PolarHBondContact O-N 2.92Å; G845-R848 PolarHBondContact O-N 2.75Å; G845-C849 PolarHBondContact O-N 2.93Å; G845-C849 PolarHBondContact O-SG 3.5Å |
| 846 | L | 89.3 | Confident | 82.5 | Confident | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.9 | -46.4 | 174.9 | -77.5 | 174.2 | 0 | 0 | 0 | 110.5 | I815 M818 L819 L842 R848 C849 Y850 Y881 | I815-L846 HydrophobicContact CG1-CD2 4.48Å; M818-L846 HydrophobicContact CB-CD2 3.75Å; M818-L846 HydrophobicContact CB-CG 4.21Å; M818-L846 HydrophobicContact CE-CB 4.46Å; M818-L846 HydrophobicContact CE-CD2 4.29Å; M818-L846 HydrophobicContact CE-CG 3.82Å; M818-L846 HydrophobicContact SD-CD2 4.04Å; M818-L846 HydrophobicContact SD-CG 4.22Å; L819-L846 HydrophobicContact CD2-CD1 4.45Å; L842-L846 WeakPolarHBondContact O-CB 3.48Å; L842-L846 WeakPolarHBondContact O-CG 3.28Å; L842-L846 PolarHBondContact O-N 2.9Å; L846-R848 VanDerWaalsContact C-N 3.27Å; L846-R848 PolarHBondContact O-N 3.06Å; L846-C849 PolarHBondContact O-N 2.67Å; L846-C849 VanDerWaalsContact O-N 3.13Å; L846-Y850 HydrophobicContact CB-CE2 3.94Å; L846-Y850 HydrophobicContact CD2-CE1 4.46Å; L846-Y850 VanDerWaalsContact O-CD2 3.3Å; L846-Y850 WeakPolarHBondContact O-CD2 3.45Å; L846-Y850 PolarHBondContact O-N 3.18Å; L846-Y881 HydrophobicContact CD1-CE2 3.87Å |
| 847 | A | 89.5 | Confident | 81.7 | Confident | 3 Ų | 3 | 28 Ų | 28 | 3% | 0.025 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.4 | -38.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | L843 M844 Y850 K851 L961 I962 T965 | L843-A847 VanDerWaalsContact O-CB 3.3Å; L843-A847 WeakPolarHBondContact O-CB 3.48Å; L843-A847 PolarHBondContact O-N 2.84Å; M844-A847 PolarHBondContact O-N 2.84Å; A847-Y850 PolarHBondContact O-N 3.32Å; A847-K851 PolarHBondContact O-N 3.12Å; A847-L961 HydrophobicContact CB-CD2 4.21Å; A847-L961 HydrophobicContact CB-CG 3.96Å; A847-I962 HydrophobicContact CB-CB 4.37Å; A847-I962 HydrophobicContact CB-CG1 3.73Å; A847-T965 WeakPolarHBondContact CA-OG1 3.14Å; A847-T965 WeakPolarHBondContact CB-OG1 3.46Å |
| 848 | R | 87.4 | Confident | 80.7 | Confident | 34 Ų | 34 | 26.9 Ų | 26.9 | 13% | 0.128 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.7 | -44.3 | 174.1 | -177.1 | 60.7 | 172.4 | 109.9 | -1.6 | 112.4 | I798 D804 M844 G845 L846 Y850 K851 D852 L961 | I798-R848 HydrophobicContact CG2-CB 4.37Å; I798-R848 WeakPolarHBondContact O-CG 3.39Å; D804-R848 IonicContact OD1-CZ 3.59Å; D804-R848 IonicContact OD1-NH1 3.29Å; D804-R848 IonicContact OD1-NH2 2.88Å; D804-R848 PolarHBondContact OD1-NH2 3.35Å; M844-R848 PolarHBondContact O-N 3.39Å; G845-R848 PolarHBondContact O-N 2.75Å; L846-R848 VanDerWaalsContact C-N 3.27Å; L846-R848 PolarHBondContact O-N 3.06Å; R848-Y850 VanDerWaalsContact C-N 3.33Å; R848-Y850 PolarHBondContact O-N 3.11Å; R848-K851 WeakPolarHBondContact O-CB 3.45Å; R848-K851 PolarHBondContact O-N 3.49Å; R848-D852 IonicContact NH1-OD1 2.7Å; R848-D852 PolarHBondContact NH1-OD1 2.93Å; R848-D852 IonicContact NH1-OD2 2.97Å; R848-D852 PolarHBondContact NH1-OD2 2.79Å; R848-L961 HydrophobicContact CB-CD2 4.35Å |
| 849 | C | 84.8 | Confident | 79.7 | Confident | 5 Ų | 5 | 28 Ų | 28 | 3% | 0.034 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.4 | -40 | 176.6 | -65.5 | 0 | 0 | 0 | 0 | 111.7 | T811 I815 G845 L846 D852 | T811-C849 HydrophobicContact CG2-CB 4.48Å; I815-C849 HydrophobicContact CG1-CB 4.25Å; G845-C849 PolarHBondContact O-N 2.93Å; G845-C849 PolarHBondContact O-SG 3.5Å; L846-C849 PolarHBondContact O-N 2.67Å; L846-C849 VanDerWaalsContact O-N 3.13Å; C849-D852 PolarHBondContact O-N 2.89Å |
| 850 | Y | 87.3 | Confident | 79 | Confident | 3 Ų | 3 | 30.7 Ų | 30.7 | 1% | 0.012 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -68.1 | -34.4 | 177.8 | -60.2 | -24.8 | 0 | 0 | 0 | 113.3 | I815 L846 A847 R848 D852 L853 T854 Y881 W968 A969 I972 | I815-Y850 HydrophobicContact CD1-CD1 4.3Å; I815-Y850 HydrophobicContact CD1-CE1 4.08Å; I815-Y850 HydrophobicContact CG1-CE1 4.29Å; L846-Y850 HydrophobicContact CB-CE2 3.94Å; L846-Y850 HydrophobicContact CD2-CE1 4.46Å; L846-Y850 VanDerWaalsContact O-CD2 3.3Å; L846-Y850 WeakPolarHBondContact O-CD2 3.45Å; L846-Y850 PolarHBondContact O-N 3.18Å; A847-Y850 PolarHBondContact O-N 3.32Å; R848-Y850 VanDerWaalsContact C-N 3.33Å; R848-Y850 PolarHBondContact O-N 3.11Å; Y850-D852 PolarHBondContact O-N 2.74Å; Y850-L853 HydrophobicContact CD1-CD1 4.08Å; Y850-L853 WeakPolarHBondContact O-CA 3.27Å; Y850-L853 VanDerWaalsContact O-CB 3.31Å; Y850-L853 WeakPolarHBondContact O-CB 3.34Å; Y850-L853 PolarHBondContact O-N 2.76Å; Y850-T854 PolarHBondContact O-N 3.41Å; Y850-Y881 WeakPolarHBondContact CE2-OH 3.34Å; Y850-Y881 PolarHBondContact OH-OH 2.99Å; Y850-W968 HydrophobicContact CD1-CB 3.8Å; Y850-W968 HydrophobicContact CD1-CG 4.26Å; Y850-W968 HydrophobicContact CD2-CB 3.64Å; Y850-W968 HydrophobicContact CE1-CB 4.2Å; Y850-W968 HydrophobicContact CE2-CB 4.04Å; Y850-W968 HydrophobicContact CG-CB 3.53Å; Y850-W968 HydrophobicContact CG-CG 4.02Å; Y850-A969 HydrophobicContact CE2-CB 4.44Å; Y850-I972 HydrophobicContact CE1-CD1 4.05Å; Y850-I972 WeakPolarHBondContact OH-CD1 3.47Å |
| 851 | K | 80.5 | Confident | 78.2 | Confident | 96 Ų | 96 | 37.2 Ų | 37.2 | 42% | 0.417 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -55.6 | -43 | 177.2 | -172.1 | -171.2 | -177 | 175.5 | 0 | 111 | A847 R848 L853 T854 L961 T965 | A847-K851 PolarHBondContact O-N 3.12Å; R848-K851 WeakPolarHBondContact O-CB 3.45Å; R848-K851 PolarHBondContact O-N 3.49Å; K851-L853 VanDerWaalsContact C-N 3.27Å; K851-L853 PolarHBondContact O-N 3.42Å; K851-T854 PolarHBondContact O-N 3Å; K851-T854 VanDerWaalsContact O-N 3.14Å; K851-T854 PolarHBondContact O-OG1 3.28Å; K851-L961 HydrophobicContact CB-CD1 3.97Å; K851-L961 HydrophobicContact CD-CD1 3.67Å; K851-L961 HydrophobicContact CG-CD1 4.08Å; K851-T965 HydrophobicContact CB-CG2 4.11Å |
| 852 | D | 72.2 | Confident | 77.4 | Confident | 10 Ų | 10 | 39.3 Ų | 39.3 | 5% | 0.053 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -69.4 | -26.9 | 179.8 | -64 | -25.9 | 0 | 0 | 0 | 112.4 | R848 C849 Y850 T854 I855 | R848-D852 IonicContact NH1-OD1 2.7Å; R848-D852 PolarHBondContact NH1-OD1 2.93Å; R848-D852 IonicContact NH1-OD2 2.97Å; R848-D852 PolarHBondContact NH1-OD2 2.79Å; C849-D852 PolarHBondContact O-N 2.89Å; Y850-D852 PolarHBondContact O-N 2.74Å; D852-T854 VanDerWaalsContact C-N 3.32Å; D852-I855 PolarHBondContact O-N 3.06Å |
| 853 | L | 72.5 | Confident | 76.9 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68.3 | -29.6 | 172.5 | -59.2 | 175.1 | 0 | 0 | 0 | 112.3 | T811 I815 Y850 K851 I855 D856 R859 Q860 I863 W968 | T811-L853 HydrophobicContact CG2-CD2 4.08Å; I815-L853 HydrophobicContact CD1-CD1 4.27Å; Y850-L853 HydrophobicContact CD1-CD1 4.08Å; Y850-L853 WeakPolarHBondContact O-CA 3.27Å; Y850-L853 VanDerWaalsContact O-CB 3.31Å; Y850-L853 WeakPolarHBondContact O-CB 3.34Å; Y850-L853 PolarHBondContact O-N 2.76Å; K851-L853 VanDerWaalsContact C-N 3.27Å; K851-L853 PolarHBondContact O-N 3.42Å; L853-I855 PolarHBondContact O-N 3.2Å; L853-D856 PolarHBondContact O-N 2.99Å; L853-R859 HydrophobicContact CD2-CB 3.7Å; L853-Q860 WeakPolarHBondContact O-CG 3.38Å; L853-Q860 PolarHBondContact O-NE2 3.48Å; L853-I863 HydrophobicContact CD1-CB 4.39Å; L853-I863 HydrophobicContact CD1-CG1 3.84Å; L853-I863 HydrophobicContact CD1-CG2 4.35Å; L853-I863 HydrophobicContact CD2-CG1 3.71Å; L853-I863 HydrophobicContact CG-CG1 4.45Å; L853-W968 HydrophobicContact CB-CH2 4.46Å; L853-W968 HydrophobicContact CB-CZ2 3.87Å; L853-W968 HydrophobicContact CD1-CD2 4.12Å; L853-W968 HydrophobicContact CD1-CE3 4.15Å; L853-W968 HydrophobicContact CD1-CZ2 4.46Å; L853-W968 HydrophobicContact CD1-CZ3 4.35Å |
| 854 | T | 68.6 | Low | 76.4 | Confident | 74 Ų | 74 | 43.1 Ų | 43.1 | 45% | 0.454 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -21 | 179.7 | 65.5 | 0 | 0 | 0 | 0 | 113.2 | Y850 K851 D852 | Y850-T854 PolarHBondContact O-N 3.41Å; K851-T854 PolarHBondContact O-N 3Å; K851-T854 VanDerWaalsContact O-N 3.14Å; K851-T854 PolarHBondContact O-OG1 3.28Å; D852-T854 VanDerWaalsContact C-N 3.32Å |
| 855 | I | 67 | Low | 75.7 | Confident | 138 Ų | 138 | 46.2 Ų | 46.2 | 71% | 0.708 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | -29 | -175.7 | -55.1 | 169.8 | 0 | 0 | 0 | 111.7 | D852 L853 | D852-I855 PolarHBondContact O-N 3.06Å; L853-I855 PolarHBondContact O-N 3.2Å |
| 856 | D | 66.3 | Low | 75.4 | Confident | 34 Ų | 34 | 46.5 Ų | 46.5 | 18% | 0.182 | 24% | 0.241 | C | C | . | . | trans | -115.2 | 103.9 | -169.5 | -169.6 | -34.9 | 0 | 0 | 0 | 112.9 | L853 V858 R859 Q860 | L853-D856 PolarHBondContact O-N 2.99Å; D856-V858 VanDerWaalsContact C-N 3.33Å; D856-V858 PolarHBondContact O-N 2.78Å; D856-V858 PolarHBondContact OD1-N 2.93Å; D856-V858 VanDerWaalsContact OD1-N 3.07Å; D856-R859 HydrophobicContact CB-CB 4.22Å; D856-R859 HydrophobicContact CB-CG 4.27Å; D856-R859 PolarHBondContact O-N 2.85Å; D856-R859 PolarHBondContact OD1-N 3.46Å; D856-R859 IonicContact OD2-CZ 3.96Å; D856-R859 IonicContact OD2-NE 2.9Å; D856-R859 IonicContact OD2-NH1 3.2Å; D856-R859 PolarHBondContact OD2-NH1 3.37Å; D856-R859 IonicContact OD2-NH2 2.7Å; D856-Q860 WeakPolarHBondContact O-CG 3.46Å; D856-Q860 PolarHBondContact O-N 3.21Å | ||
| 857 | S | 65.6 | Low | 75 | Confident | 79 Ų | 79 | 46.6 Ų | 46.6 | 55% | 0.552 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -62.4 | -33.4 | -177.7 | 58.6 | 0 | 0 | 0 | 0 | 114 | Q860 Q861 | S857-Q860 WeakPolarHBondContact O-CB 3.37Å; S857-Q860 PolarHBondContact O-N 3.13Å; S857-Q861 PolarHBondContact O-N 3.08Å; S857-Q861 VanDerWaalsContact O-N 3.15Å |
| 858 | V | 61.3 | Low | 74.5 | Confident | 61 Ų | 61 | 51.8 Ų | 51.8 | 37% | 0.37 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -68.2 | -43.2 | 178.8 | 179.9 | 0 | 0 | 0 | 0 | 109.4 | N490 D856 Q860 Q861 I862 | N490-V858 HydrophobicContact CB-CG1 4.4Å; D856-V858 VanDerWaalsContact C-N 3.33Å; D856-V858 PolarHBondContact O-N 2.78Å; D856-V858 PolarHBondContact OD1-N 2.93Å; D856-V858 VanDerWaalsContact OD1-N 3.07Å; V858-Q860 VanDerWaalsContact C-N 3.34Å; V858-Q860 PolarHBondContact O-N 2.78Å; V858-Q861 PolarHBondContact O-N 3.13Å; V858-I862 HydrophobicContact CG1-CD1 4.45Å; V858-I862 WeakPolarHBondContact O-CG1 3.39Å; V858-I862 PolarHBondContact O-N 3.29Å; V858-I862 VanDerWaalsContact O-N 3.13Å |
| 859 | R | 66.3 | Low | 74 | Confident | 37 Ų | 37 | 51.1 Ų | 51.1 | 14% | 0.14 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.2 | -34.9 | 174.9 | -67.8 | -166.5 | -172.3 | 85.9 | 24 | 112.7 | K808 L853 D856 Q861 I862 I863 | K808-R859 PolarHBondContact O-NE 3.21Å; L853-R859 HydrophobicContact CD2-CB 3.7Å; D856-R859 HydrophobicContact CB-CB 4.22Å; D856-R859 HydrophobicContact CB-CG 4.27Å; D856-R859 PolarHBondContact O-N 2.85Å; D856-R859 PolarHBondContact OD1-N 3.46Å; D856-R859 IonicContact OD2-CZ 3.96Å; D856-R859 IonicContact OD2-NE 2.9Å; D856-R859 IonicContact OD2-NH1 3.2Å; D856-R859 PolarHBondContact OD2-NH1 3.37Å; D856-R859 IonicContact OD2-NH2 2.7Å; R859-Q861 VanDerWaalsContact C-N 3.31Å; R859-Q861 PolarHBondContact O-N 3.27Å; R859-I862 PolarHBondContact O-N 2.93Å; R859-I863 WeakPolarHBondContact O-CG1 3.33Å; R859-I863 PolarHBondContact O-N 3.15Å |
| 860 | Q | 73.8 | Confident | 73.4 | Confident | 55 Ų | 55 | 56.9 Ų | 56.9 | 26% | 0.257 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -56.6 | -47.2 | 172.5 | -66.5 | 179.7 | 1.1 | 0 | 0 | 110.9 | L853 D856 S857 V858 I862 I863 Y864 W968 | L853-Q860 WeakPolarHBondContact O-CG 3.38Å; L853-Q860 PolarHBondContact O-NE2 3.48Å; D856-Q860 WeakPolarHBondContact O-CG 3.46Å; D856-Q860 PolarHBondContact O-N 3.21Å; S857-Q860 WeakPolarHBondContact O-CB 3.37Å; S857-Q860 PolarHBondContact O-N 3.13Å; V858-Q860 VanDerWaalsContact C-N 3.34Å; V858-Q860 PolarHBondContact O-N 2.78Å; Q860-I862 VanDerWaalsContact C-N 3.34Å; Q860-I862 PolarHBondContact O-N 3.42Å; Q860-I863 PolarHBondContact O-N 2.54Å; Q860-Y864 HydrophobicContact CB-CD2 4.22Å; Q860-Y864 HydrophobicContact CB-CE2 4.08Å; Q860-Y864 WeakPolarHBondContact O-CD2 3.35Å; Q860-Y864 PolarHBondContact O-N 2.67Å; Q860-W968 HydrophobicContact CB-CH2 4.03Å; Q860-W968 HydrophobicContact CB-CZ2 4.47Å; Q860-W968 HydrophobicContact CG-CH2 3.84Å; Q860-W968 HydrophobicContact CG-CZ2 3.78Å |
| 861 | Q | 70.9 | Confident | 72.6 | Confident | 141 Ų | 141 | 57.3 Ų | 57.3 | 66% | 0.659 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -61.4 | -40.6 | 177.7 | -70.2 | -176.9 | -5.8 | 0 | 0 | 112.4 | S857 V858 R859 I863 Y864 S865 | S857-Q861 PolarHBondContact O-N 3.08Å; S857-Q861 VanDerWaalsContact O-N 3.15Å; V858-Q861 PolarHBondContact O-N 3.13Å; R859-Q861 VanDerWaalsContact C-N 3.31Å; R859-Q861 PolarHBondContact O-N 3.27Å; Q861-I863 VanDerWaalsContact C-N 3.34Å; Q861-I863 PolarHBondContact O-N 2.9Å; Q861-Y864 PolarHBondContact O-N 2.86Å; Q861-S865 WeakPolarHBondContact O-CB 3.4Å; Q861-S865 PolarHBondContact O-N 2.89Å; Q861-S865 PolarHBondContact O-OG 3.12Å |
| 862 | I | 68.8 | Low | 72.8 | Confident | 46 Ų | 46 | 53 Ų | 53 | 24% | 0.236 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.6 | -45.1 | 176 | -65.1 | 167.4 | 0 | 0 | 0 | 110.6 | N490 V858 R859 Q860 S865 Y866 | N490-I862 HydrophobicContact CB-CD1 4.48Å; N490-I862 WeakPolarHBondContact ND2-CD1 3.16Å; V858-I862 HydrophobicContact CG1-CD1 4.45Å; V858-I862 WeakPolarHBondContact O-CG1 3.39Å; V858-I862 PolarHBondContact O-N 3.29Å; V858-I862 VanDerWaalsContact O-N 3.13Å; R859-I862 PolarHBondContact O-N 2.93Å; Q860-I862 VanDerWaalsContact C-N 3.34Å; Q860-I862 PolarHBondContact O-N 3.42Å; I862-S865 PolarHBondContact O-N 2.94Å; I862-S865 PolarHBondContact O-OG 3.09Å; I862-Y866 WeakPolarHBondContact O-CB 3.4Å; I862-Y866 PolarHBondContact O-N 2.85Å |
| 863 | I | 78.4 | Confident | 73.2 | Confident | 5 Ų | 5 | 58.1 Ų | 58.1 | 3% | 0.026 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -69.5 | -41.4 | 178.2 | -63.5 | -61.1 | 0 | 0 | 0 | 111.6 | R812 I815 L853 R859 Q860 Q861 S865 Y866 L867 W968 | R812-I863 HydrophobicContact CB-CD1 4.42Å; I815-I863 HydrophobicContact CD1-CD1 3.74Å; I815-I863 HydrophobicContact CD1-CG1 4.43Å; L853-I863 HydrophobicContact CD1-CB 4.39Å; L853-I863 HydrophobicContact CD1-CG1 3.84Å; L853-I863 HydrophobicContact CD1-CG2 4.35Å; L853-I863 HydrophobicContact CD2-CG1 3.71Å; L853-I863 HydrophobicContact CG-CG1 4.45Å; R859-I863 WeakPolarHBondContact O-CG1 3.33Å; R859-I863 PolarHBondContact O-N 3.15Å; Q860-I863 PolarHBondContact O-N 2.54Å; Q861-I863 VanDerWaalsContact C-N 3.34Å; Q861-I863 PolarHBondContact O-N 2.9Å; I863-S865 VanDerWaalsContact C-N 3.3Å; I863-S865 PolarHBondContact O-N 3.15Å; I863-Y866 WeakPolarHBondContact O-CB 3.02Å; I863-Y866 PolarHBondContact O-N 3.32Å; I863-L867 HydrophobicContact CG2-CD1 3.94Å; I863-L867 HydrophobicContact CG2-CG 4.24Å; I863-L867 VanDerWaalsContact O-CG 3.31Å; I863-L867 WeakPolarHBondContact O-CG 3.18Å; I863-L867 PolarHBondContact O-N 3.36Å; I863-W968 HydrophobicContact CB-CZ3 4.46Å; I863-W968 HydrophobicContact CG2-CE3 4.33Å; I863-W968 HydrophobicContact CG2-CZ3 3.98Å |
| 864 | Y | 78.9 | Confident | 73.9 | Confident | 80 Ų | 80 | 59.5 Ų | 59.5 | 31% | 0.314 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.6 | -41 | 173 | -76.5 | -60.4 | 0 | 0 | 0 | 111.7 | Q860 Q861 Y866 L867 N868 W968 L971 | Q860-Y864 HydrophobicContact CB-CD2 4.22Å; Q860-Y864 HydrophobicContact CB-CE2 4.08Å; Q860-Y864 WeakPolarHBondContact O-CD2 3.35Å; Q860-Y864 PolarHBondContact O-N 2.67Å; Q861-Y864 PolarHBondContact O-N 2.86Å; Y864-Y866 VanDerWaalsContact C-N 3.34Å; Y864-L867 PolarHBondContact O-N 2.67Å; Y864-N868 VanDerWaalsContact O-CB 3.3Å; Y864-N868 WeakPolarHBondContact O-CB 3.41Å; Y864-N868 VanDerWaalsContact O-CG 3.3Å; Y864-N868 PolarHBondContact O-N 3Å; Y864-N868 PolarHBondContact O-ND2 3.35Å; Y864-W968 HydrophobicContact CE1-CZ3 4.35Å; Y864-W968 AromaticContact CE2-CH2 3.88Å; Y864-W968 HydrophobicContact CE2-CH2 3.88Å; Y864-W968 HydrophobicContact CE2-CZ3 4.35Å; Y864-W968 AromaticContact CZ-CH2 3.9Å; Y864-L971 HydrophobicContact CD1-CD2 3.84Å; Y864-L971 HydrophobicContact CE1-CD1 4.2Å; Y864-L971 HydrophobicContact CE1-CD2 3.39Å; Y864-L971 HydrophobicContact CE1-CG 4.45Å |
| 865 | S | 73.3 | Confident | 74.7 | Confident | 67 Ų | 67 | 60 Ų | 60 | 47% | 0.469 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66.5 | -35.6 | 176 | 76.6 | 0 | 0 | 0 | 0 | 112.4 | Q861 I862 I863 G869 | Q861-S865 WeakPolarHBondContact O-CB 3.4Å; Q861-S865 PolarHBondContact O-N 2.89Å; Q861-S865 PolarHBondContact O-OG 3.12Å; I862-S865 PolarHBondContact O-N 2.94Å; I862-S865 PolarHBondContact O-OG 3.09Å; I863-S865 VanDerWaalsContact C-N 3.3Å; I863-S865 PolarHBondContact O-N 3.15Å; S865-G869 VanDerWaalsContact O-CA 3.31Å; S865-G869 WeakPolarHBondContact O-CA 3.43Å; S865-G869 PolarHBondContact O-N 3.46Å |
| 866 | Y | 79.8 | Confident | 75.6 | Confident | 6 Ų | 6 | 57 Ų | 57 | 2% | 0.024 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.2 | -47.7 | 174.7 | 165.9 | -112.5 | 0 | 0 | 0 | 111.7 | R812 D816 I862 I863 Y864 N868 G869 F872 | R812-Y866 HydrophobicContact CG-CG 4.49Å; D816-Y866 PolarHBondContact OD1-OH 2.76Å; I862-Y866 WeakPolarHBondContact O-CB 3.4Å; I862-Y866 PolarHBondContact O-N 2.85Å; I863-Y866 WeakPolarHBondContact O-CB 3.02Å; I863-Y866 PolarHBondContact O-N 3.32Å; Y864-Y866 VanDerWaalsContact C-N 3.34Å; Y866-N868 PolarHBondContact O-N 3.14Å; Y866-G869 PolarHBondContact O-N 3.38Å; Y866-F872 AromaticContact CE1-CD2 3.91Å; Y866-F872 HydrophobicContact CE1-CD2 3.91Å; Y866-F872 HydrophobicContact CE2-CB 4.43Å; Y866-F872 AromaticContact CZ-CD2 3.95Å; Y866-F872 WeakPolarHBondContact O-CB 3.06Å |
| 867 | L | 81.8 | Confident | 76.7 | Confident | 4 Ų | 4 | 55.4 Ų | 55.4 | 2% | 0.021 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.7 | -36.3 | -179.9 | -66.4 | 174.4 | 0 | 0 | 0 | 112.6 | I863 Y864 F872 L971 I972 R975 | I863-L867 HydrophobicContact CG2-CD1 3.94Å; I863-L867 HydrophobicContact CG2-CG 4.24Å; I863-L867 VanDerWaalsContact O-CG 3.31Å; I863-L867 WeakPolarHBondContact O-CG 3.18Å; I863-L867 PolarHBondContact O-N 3.36Å; Y864-L867 PolarHBondContact O-N 2.67Å; L867-F872 HydrophobicContact CD2-CD2 3.67Å; L867-F872 HydrophobicContact CD2-CE2 3.76Å; L867-F872 HydrophobicContact CD2-CG 4.23Å; L867-F872 HydrophobicContact CD2-CZ 4.42Å; L867-L971 HydrophobicContact CD1-CD2 3.41Å; L867-L971 VanDerWaalsContact CD1-CD2 3.41Å; L867-L971 HydrophobicContact CD1-CG 3.8Å; L867-I972 HydrophobicContact CD1-CG1 4.31Å; L867-I972 HydrophobicContact CD2-CG1 3.8Å; L867-R975 PolarHBondContact O-NE 3.38Å |
| 868 | N | 79.1 | Confident | 77.9 | Confident | 111 Ų | 111 | 52 Ų | 52 | 59% | 0.594 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -84.3 | -21.7 | 177.6 | -67.5 | -28.2 | 0 | 0 | 0 | 112.9 | Y864 Y866 | Y864-N868 VanDerWaalsContact O-CB 3.3Å; Y864-N868 WeakPolarHBondContact O-CB 3.41Å; Y864-N868 VanDerWaalsContact O-CG 3.3Å; Y864-N868 PolarHBondContact O-N 3Å; Y864-N868 PolarHBondContact O-ND2 3.35Å; Y866-N868 PolarHBondContact O-N 3.14Å |
| 869 | G | 77.4 | Confident | 79.2 | Confident | 20 Ų | 20 | 50.7 Ų | 50.7 | 21% | 0.206 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -77.8 | 169.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | S865 Y866 G871 F872 | S865-G869 VanDerWaalsContact O-CA 3.31Å; S865-G869 WeakPolarHBondContact O-CA 3.43Å; S865-G869 PolarHBondContact O-N 3.46Å; Y866-G869 PolarHBondContact O-N 3.38Å; G869-G871 PolarHBondContact O-N 2.91Å; G869-F872 PolarHBondContact O-N 3.46Å |
| 870 | P | 72.7 | Confident | 80.3 | Confident | 126 Ų | 126 | 48.9 Ų | 48.9 | 82% | 0.818 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -12.5 | -179.4 | 27.8 | -35 | 0 | 0 | 0 | 113.7 | ||
| 871 | G | 69.4 | Low | 81.2 | Confident | 12 Ų | 12 | 46.4 Ų | 46.4 | 12% | 0.124 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -22.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | G869 I873 | G869-G871 PolarHBondContact O-N 2.91Å; G871-I873 PolarHBondContact O-N 3.01Å |
| 872 | F | 84.2 | Confident | 82.1 | Confident | 6 Ų | 6 | 39.8 Ų | 39.8 | 3% | 0.026 | 21% | 0.212 | C | C | . | . | trans | -85.4 | 98.3 | 177.1 | -176.3 | -93.8 | 0 | 0 | 0 | 110.5 | L819 Y866 L867 G869 Y874 I877 I972 R975 L979 | L819-F872 HydrophobicContact CD1-CE2 3.97Å; Y866-F872 AromaticContact CE1-CD2 3.91Å; Y866-F872 HydrophobicContact CE1-CD2 3.91Å; Y866-F872 HydrophobicContact CE2-CB 4.43Å; Y866-F872 AromaticContact CZ-CD2 3.95Å; Y866-F872 WeakPolarHBondContact O-CB 3.06Å; L867-F872 HydrophobicContact CD2-CD2 3.67Å; L867-F872 HydrophobicContact CD2-CE2 3.76Å; L867-F872 HydrophobicContact CD2-CG 4.23Å; L867-F872 HydrophobicContact CD2-CZ 4.42Å; G869-F872 PolarHBondContact O-N 3.46Å; F872-Y874 AromaticContact CD2-CD2 3.91Å; F872-Y874 HydrophobicContact CD2-CD2 3.91Å; F872-Y874 AromaticContact CE2-CD2 3.79Å; F872-Y874 HydrophobicContact CE2-CD2 3.79Å; F872-Y874 HydrophobicContact CZ-CD2 4.35Å; F872-I877 HydrophobicContact CZ-CG2 4.36Å; F872-I972 HydrophobicContact CE2-CG2 4.16Å; F872-I972 HydrophobicContact CZ-CG2 4Å; F872-R975 HydrophobicContact CD1-CG 3.8Å; F872-R975 HydrophobicContact CE1-CB 4.28Å; F872-R975 HydrophobicContact CE1-CG 3.78Å; F872-L979 HydrophobicContact CD1-CD1 3.62Å; F872-L979 HydrophobicContact CE1-CD1 3.96Å; F872-L979 WeakPolarHBondContact O-CD1 3.34Å | ||
| 873 | I | 81.9 | Confident | 83 | Confident | 117 Ų | 117 | 38.7 Ų | 38.7 | 60% | 0.6 | 21% | 0.206 | S | C | * | . | trans | -103.3 | 5.6 | -173.7 | 60.1 | 170.8 | 0 | 0 | 0 | 114.4 | G871 Y875 | G871-I873 PolarHBondContact O-N 3.01Å; I873-Y875 PolarHBondContact O-N 2.84Å; I873-Y875 VanDerWaalsContact O-N 3.16Å | ||
| 874 | Y | 87 | Confident | 83.6 | Confident | 31 Ų | 31 | 38.6 Ų | 38.6 | 12% | 0.122 | 21% | 0.205 | C | C | . | . | trans | -87.8 | 82 | -171.5 | -50.4 | -69.5 | 0 | 0 | 0 | 113.2 | D816 L819 Q820 F872 I877 S976 | D816-Y874 WeakPolarHBondContact OD1-CE2 3.49Å; D816-Y874 VanDerWaalsContact OD1-CZ 3.25Å; D816-Y874 PolarHBondContact OD1-OH 3.03Å; L819-Y874 HydrophobicContact CB-CD2 4.36Å; L819-Y874 HydrophobicContact CB-CE2 4.3Å; L819-Y874 HydrophobicContact CD1-CD2 4.34Å; Q820-Y874 HydrophobicContact CG-CE1 3.68Å; Q820-Y874 WeakPolarHBondContact CG-OH 3.45Å; Q820-Y874 PolarHBondContact NE2-OH 2.72Å; F872-Y874 AromaticContact CD2-CD2 3.91Å; F872-Y874 HydrophobicContact CD2-CD2 3.91Å; F872-Y874 AromaticContact CE2-CD2 3.79Å; F872-Y874 HydrophobicContact CE2-CD2 3.79Å; F872-Y874 HydrophobicContact CZ-CD2 4.35Å; Y874-I877 HydrophobicContact CG-CD1 4.43Å; Y874-S976 WeakPolarHBondContact O-CB 3.47Å; Y874-S976 PolarHBondContact O-OG 3.41Å | ||
| 875 | Y | 84.1 | Confident | 84.1 | Confident | 83 Ų | 83 | 34.9 Ų | 34.9 | 33% | 0.325 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -76.5 | -26.5 | -179.1 | 63.3 | -82.9 | 0 | 0 | 0 | 114.2 | I873 Y878 S976 D980 Q983 | I873-Y875 PolarHBondContact O-N 2.84Å; I873-Y875 VanDerWaalsContact O-N 3.16Å; Y875-Y878 WeakPolarHBondContact O-CD1 3.46Å; Y875-S976 VanDerWaalsContact C-OG 3.25Å; Y875-S976 CarbonylContact O-C 3.52Å; Y875-S976 VanDerWaalsContact O-O 3.12Å; Y875-S976 PolarHBondContact O-OG 3.47Å; Y875-D980 WeakPolarHBondContact O-CB 3.34Å; Y875-Q983 VanDerWaalsContact CD2-OE1 3.25Å; Y875-Q983 VanDerWaalsContact CE2-OE1 3.29Å |
| 876 | K | 86.6 | Confident | 84.9 | Confident | 77 Ų | 77 | 32.2 Ų | 32.2 | 34% | 0.335 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -98.7 | 0.8 | 179.6 | -76.8 | 179.5 | 176.4 | -177.8 | 0 | 116.1 | M823 Y878 I879 P880 | M823-K876 HydrophobicContact CE-CB 3.93Å; K876-Y878 PolarHBondContact O-N 3.08Å; K876-I879 PolarHBondContact O-N 2.81Å; K876-P880 WeakPolarHBondContact O-CD 3.2Å |
| 877 | I | 89.8 | Confident | 85.2 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -20.1 | -172.5 | -161.3 | 152.8 | 0 | 0 | 0 | 114.4 | L819 L822 M823 F872 Y874 I879 P880 Y881 I972 S976 | L819-I877 HydrophobicContact CB-CD1 3.44Å; L819-I877 VanDerWaalsContact CB-CD1 3.44Å; L819-I877 HydrophobicContact CD2-CD1 3.49Å; L819-I877 VanDerWaalsContact CD2-CD1 3.49Å; L819-I877 HydrophobicContact CD2-CG1 4.32Å; L819-I877 HydrophobicContact CG-CD1 3.96Å; L819-I877 WeakPolarHBondContact O-CD1 3.48Å; L822-I877 HydrophobicContact CB-CD1 4.36Å; L822-I877 HydrophobicContact CD2-CD1 4.24Å; L822-I877 HydrophobicContact CD2-CG1 3.92Å; L822-I877 HydrophobicContact CG-CG1 4.45Å; M823-I877 HydrophobicContact CG-CD1 4.17Å; M823-I877 HydrophobicContact CG-CG1 4.42Å; M823-I877 WeakPolarHBondContact SD-CA 3.38Å; M823-I877 HydrophobicContact SD-CB 3.71Å; M823-I877 HydrophobicContact SD-CD1 4.23Å; M823-I877 HydrophobicContact SD-CG1 3.85Å; F872-I877 HydrophobicContact CZ-CG2 4.36Å; Y874-I877 HydrophobicContact CG-CD1 4.43Å; I877-I879 PolarHBondContact O-N 2.87Å; I877-P880 HydrophobicContact CG1-CG 4.39Å; I877-P880 VanDerWaalsContact O-CD 3.28Å; I877-P880 WeakPolarHBondContact O-CD 3.21Å; I877-P880 WeakPolarHBondContact O-CG 3.29Å; I877-Y881 WeakPolarHBondContact O-CB 3.3Å; I877-Y881 PolarHBondContact O-N 3.11Å; I877-I972 HydrophobicContact CG2-CG2 4.17Å; I877-S976 VanDerWaalsContact CG2-OG 3.28Å; I877-S976 WeakPolarHBondContact CG2-OG 3.26Å; I877-S976 PolarHBondContact N-OG 3.21Å |
| 878 | Y | 90.1 | Very high | 85.5 | Confident | 8 Ų | 8 | 32.6 Ų | 32.6 | 3% | 0.031 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.7 | -26.6 | 175.7 | 74.9 | -95.4 | 0 | 0 | 0 | 112.9 | Y875 K876 L882 S976 R977 D980 F996 | Y875-Y878 WeakPolarHBondContact O-CD1 3.46Å; K876-Y878 PolarHBondContact O-N 3.08Å; Y878-L882 HydrophobicContact CD2-CD1 4.34Å; Y878-L882 VanDerWaalsContact O-CB 3.32Å; Y878-L882 WeakPolarHBondContact O-CB 3.23Å; Y878-L882 VanDerWaalsContact O-CG 3.3Å; Y878-L882 WeakPolarHBondContact O-CG 2.98Å; Y878-L882 PolarHBondContact O-N 3.41Å; Y878-L882 VanDerWaalsContact O-N 3.08Å; Y878-S976 PolarHBondContact N-OG 2.88Å; Y878-R977 HydrophobicContact CD1-CB 4.29Å; Y878-R977 HydrophobicContact CG-CB 4.49Å; Y878-D980 HydrophobicContact CE1-CB 4.1Å; Y878-D980 PolarHBondContact OH-OD2 3.18Å; Y878-F996 AromaticContact CD2-CD2 3.57Å; Y878-F996 HydrophobicContact CD2-CD2 3.57Å; Y878-F996 HydrophobicContact CD2-CE2 4.24Å; Y878-F996 HydrophobicContact CE2-CB 4.02Å; Y878-F996 AromaticContact CE2-CD2 3.78Å; Y878-F996 HydrophobicContact CE2-CD2 3.78Å; Y878-F996 HydrophobicContact CE2-CG 4.36Å; Y878-F996 HydrophobicContact CG-CD2 4.38Å |
| 879 | I | 88.8 | Confident | 85.9 | Confident | 32 Ų | 32 | 27.4 Ų | 27.4 | 16% | 0.164 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -68.9 | -62.5 | -179.3 | -57.2 | 171.1 | 0 | 0 | 0 | 111.6 | H830 K876 I877 Y881 L882 Q883 | H830-I879 HydrophobicContact CB-CD1 4.45Å; H830-I879 HydrophobicContact CB-CG2 4.17Å; K876-I879 PolarHBondContact O-N 2.81Å; I877-I879 PolarHBondContact O-N 2.87Å; I879-Y881 PolarHBondContact O-N 2.75Å; I879-L882 PolarHBondContact O-N 3.46Å; I879-Q883 WeakPolarHBondContact O-CG 3.42Å; I879-Q883 PolarHBondContact O-N 3.16Å |
| 880 | P | 89.3 | Confident | 86.3 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.1 | -36.4 | 178.6 | 22.4 | -33.6 | 0 | 0 | 0 | 112.1 | L822 M823 T826 K876 I877 L884 | L822-P880 HydrophobicContact CD1-CB 4.4Å; L822-P880 HydrophobicContact CG-CB 4.17Å; L822-P880 HydrophobicContact CG-CG 4.26Å; M823-P880 HydrophobicContact SD-CG 4.07Å; T826-P880 HydrophobicContact CG2-CB 3.66Å; K876-P880 WeakPolarHBondContact O-CD 3.2Å; I877-P880 HydrophobicContact CG1-CG 4.39Å; I877-P880 VanDerWaalsContact O-CD 3.28Å; I877-P880 WeakPolarHBondContact O-CD 3.21Å; I877-P880 WeakPolarHBondContact O-CG 3.29Å; P880-L884 VanDerWaalsContact O-CB 3.29Å; P880-L884 WeakPolarHBondContact O-CB 3.42Å; P880-L884 PolarHBondContact O-N 2.82Å |
| 881 | Y | 92.3 | Very high | 86.7 | Confident | 3 Ų | 3 | 24.4 Ų | 24.4 | 1% | 0.012 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.9 | -49.1 | 179.8 | -146.9 | -51.1 | 0 | 0 | 0 | 111.6 | L819 L822 L843 L846 Y850 I877 I879 L884 L885 A969 I973 | L819-Y881 HydrophobicContact CD2-CE2 4.3Å; L822-Y881 HydrophobicContact CD2-CD2 3.4Å; L822-Y881 HydrophobicContact CD2-CE2 4.05Å; L822-Y881 HydrophobicContact CD2-CG 3.85Å; L843-Y881 HydrophobicContact CD1-CE1 3.75Å; L846-Y881 HydrophobicContact CD1-CE2 3.87Å; Y850-Y881 WeakPolarHBondContact CE2-OH 3.34Å; Y850-Y881 PolarHBondContact OH-OH 2.99Å; I877-Y881 WeakPolarHBondContact O-CB 3.3Å; I877-Y881 PolarHBondContact O-N 3.11Å; I879-Y881 PolarHBondContact O-N 2.75Å; Y881-L884 PolarHBondContact O-N 3.23Å; Y881-L885 HydrophobicContact CD1-CD1 3.8Å; Y881-L885 HydrophobicContact CD1-CG 4.09Å; Y881-L885 HydrophobicContact CE1-CD1 4.09Å; Y881-L885 HydrophobicContact CE1-CG 4.32Å; Y881-L885 WeakPolarHBondContact O-CG 3.43Å; Y881-L885 PolarHBondContact O-N 2.97Å; Y881-A969 HydrophobicContact CE1-CB 3.58Å; Y881-A969 WeakPolarHBondContact OH-CB 3.31Å; Y881-I973 HydrophobicContact CD1-CD1 3.97Å; Y881-I973 HydrophobicContact CD1-CG1 4.42Å; Y881-I973 HydrophobicContact CG-CD1 4.17Å; Y881-I973 HydrophobicContact CG-CG1 4.13Å |
| 882 | L | 90.3 | Very high | 87.3 | Confident | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -68.8 | -40.3 | 178.8 | -75.6 | 170.5 | 0 | 0 | 0 | 112.4 | Y878 I879 L884 L885 N886 F970 I973 F996 Q999 V1000 | Y878-L882 HydrophobicContact CD2-CD1 4.34Å; Y878-L882 VanDerWaalsContact O-CB 3.32Å; Y878-L882 WeakPolarHBondContact O-CB 3.23Å; Y878-L882 VanDerWaalsContact O-CG 3.3Å; Y878-L882 WeakPolarHBondContact O-CG 2.98Å; Y878-L882 PolarHBondContact O-N 3.41Å; Y878-L882 VanDerWaalsContact O-N 3.08Å; I879-L882 PolarHBondContact O-N 3.46Å; L882-L884 VanDerWaalsContact C-N 3.27Å; L882-L884 PolarHBondContact O-N 3.35Å; L882-L885 PolarHBondContact O-N 3.22Å; L882-N886 WeakPolarHBondContact O-CB 3.32Å; L882-N886 VanDerWaalsContact O-CG 3.32Å; L882-N886 PolarHBondContact O-N 3.33Å; L882-N886 PolarHBondContact O-ND2 2.89Å; L882-F970 HydrophobicContact CD2-CZ 4.34Å; L882-I973 HydrophobicContact CD1-CG2 4.15Å; L882-I973 HydrophobicContact CD2-CD1 3.99Å; L882-I973 HydrophobicContact CD2-CG2 4.46Å; L882-I973 HydrophobicContact CG-CD1 4.19Å; L882-I973 HydrophobicContact CG-CG2 4.26Å; L882-F996 HydrophobicContact CD1-CD2 3.91Å; L882-F996 HydrophobicContact CD1-CE2 3.86Å; L882-Q999 HydrophobicContact CB-CB 4.14Å; L882-Q999 HydrophobicContact CD1-CB 4.04Å; L882-V1000 HydrophobicContact CD1-CG2 3.94Å; L882-V1000 HydrophobicContact CD2-CG2 4.35Å |
| 883 | Q | 88.6 | Confident | 87.2 | Confident | 24 Ų | 24 | 25.7 Ų | 25.7 | 11% | 0.112 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59.5 | -40.6 | 176.2 | -72.9 | 175.2 | -10.1 | 0 | 0 | 111.4 | H830 I833 I879 N886 A887 | H830-Q883 PolarHBondContact O-NE2 3.47Å; I833-Q883 HydrophobicContact CD1-CB 3.91Å; I833-Q883 HydrophobicContact CG1-CB 4.22Å; I879-Q883 WeakPolarHBondContact O-CG 3.42Å; I879-Q883 PolarHBondContact O-N 3.16Å; Q883-N886 PolarHBondContact O-N 3.16Å; Q883-A887 WeakPolarHBondContact O-CB 3.31Å; Q883-A887 PolarHBondContact O-N 3.02Å |
| 884 | L | 89.5 | Confident | 87 | Confident | 2 Ų | 2 | 24.6 Ų | 24.6 | 1% | 0.01 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -69.8 | -40.7 | 178.3 | -169.5 | 72.2 | 0 | 0 | 0 | 112.6 | L822 I833 L836 G839 Y840 L843 P880 Y881 L882 N886 A887 M888 | L822-L884 HydrophobicContact CD1-CD2 4.31Å; I833-L884 HydrophobicContact CD1-CD1 4.45Å; L836-L884 HydrophobicContact CD1-CD1 3.94Å; G839-L884 WeakPolarHBondContact O-CD2 3.25Å; Y840-L884 HydrophobicContact CD1-CD1 3.48Å; Y840-L884 VanDerWaalsContact CD1-CD1 3.48Å; Y840-L884 HydrophobicContact CD1-CG 4.09Å; Y840-L884 HydrophobicContact CE1-CD1 3.72Å; Y840-L884 HydrophobicContact CE1-CG 4.39Å; L843-L884 HydrophobicContact CB-CD2 3.86Å; L843-L884 HydrophobicContact CD2-CD2 4.31Å; L843-L884 HydrophobicContact CG-CD2 4.48Å; P880-L884 VanDerWaalsContact O-CB 3.29Å; P880-L884 WeakPolarHBondContact O-CB 3.42Å; P880-L884 PolarHBondContact O-N 2.82Å; Y881-L884 PolarHBondContact O-N 3.23Å; L882-L884 VanDerWaalsContact C-N 3.27Å; L882-L884 PolarHBondContact O-N 3.35Å; L884-N886 VanDerWaalsContact C-N 3.31Å; L884-A887 PolarHBondContact O-N 2.94Å; L884-M888 WeakPolarHBondContact O-CB 3.32Å; L884-M888 PolarHBondContact O-N 3.02Å |
| 885 | L | 90.7 | Very high | 86 | Confident | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.01 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.8 | -40.9 | 172.7 | -73.9 | 172 | 0 | 0 | 0 | 111.3 | L843 Y881 L882 M888 V889 I962 I966 I973 F1003 | L843-L885 HydrophobicContact CD1-CD2 4.05Å; L843-L885 HydrophobicContact CD2-CD2 4.15Å; Y881-L885 HydrophobicContact CD1-CD1 3.8Å; Y881-L885 HydrophobicContact CD1-CG 4.09Å; Y881-L885 HydrophobicContact CE1-CD1 4.09Å; Y881-L885 HydrophobicContact CE1-CG 4.32Å; Y881-L885 WeakPolarHBondContact O-CG 3.43Å; Y881-L885 PolarHBondContact O-N 2.97Å; L882-L885 PolarHBondContact O-N 3.22Å; L885-M888 PolarHBondContact O-N 2.93Å; L885-V889 WeakPolarHBondContact O-CB 3.18Å; L885-V889 VanDerWaalsContact O-CG2 3.25Å; L885-V889 WeakPolarHBondContact O-CG2 3.24Å; L885-V889 PolarHBondContact O-N 2.96Å; L885-I962 HydrophobicContact CD2-CG2 4.35Å; L885-I966 HydrophobicContact CD1-CD1 4.31Å; L885-I966 HydrophobicContact CD2-CD1 4.03Å; L885-I973 HydrophobicContact CD1-CD1 4.09Å; L885-F1003 HydrophobicContact CB-CD2 3.92Å; L885-F1003 HydrophobicContact CB-CE2 4.02Å; L885-F1003 HydrophobicContact CD1-CE2 4.41Å |
| 886 | N | 90.1 | Very high | 84.7 | Confident | 11 Ų | 11 | 24.4 Ų | 24.4 | 6% | 0.059 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.5 | -44.3 | 175.8 | -77 | -27.2 | 0 | 0 | 0 | 112 | L882 Q883 L884 M888 V889 C890 Q999 F1003 | L882-N886 WeakPolarHBondContact O-CB 3.32Å; L882-N886 VanDerWaalsContact O-CG 3.32Å; L882-N886 PolarHBondContact O-N 3.33Å; L882-N886 PolarHBondContact O-ND2 2.89Å; Q883-N886 PolarHBondContact O-N 3.16Å; L884-N886 VanDerWaalsContact C-N 3.31Å; N886-M888 PolarHBondContact O-N 3.22Å; N886-V889 PolarHBondContact O-N 3.04Å; N886-C890 WeakPolarHBondContact O-CB 3.33Å; N886-C890 PolarHBondContact O-N 3.28Å; N886-C890 PolarHBondContact O-SG 3.33Å; N886-Q999 PolarHBondContact ND2-O 2.94Å; N886-Q999 PolarHBondContact ND2-OE1 2.78Å; N886-F1003 WeakPolarHBondContact OD1-CA 3.37Å; N886-F1003 WeakPolarHBondContact OD1-CB 3.26Å; N886-F1003 PolarHBondContact OD1-N 2.95Å |
| 887 | A | 86.4 | Confident | 83.1 | Confident | 18 Ų | 18 | 27 Ų | 27 | 15% | 0.149 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.5 | -46.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L836 Y840 Q883 L884 V889 C890 E891 | L836-A887 HydrophobicContact CD1-CB 4.03Å; Y840-A887 HydrophobicContact CE1-CB 4.41Å; Q883-A887 WeakPolarHBondContact O-CB 3.31Å; Q883-A887 PolarHBondContact O-N 3.02Å; L884-A887 PolarHBondContact O-N 2.94Å; A887-V889 PolarHBondContact O-N 3.05Å; A887-C890 PolarHBondContact O-N 3.19Å; A887-E891 WeakPolarHBondContact O-CB 3.36Å; A887-E891 PolarHBondContact O-N 3.42Å |
| 888 | M | 87.8 | Confident | 81.2 | Confident | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.1 | -47.9 | 175.1 | 175.1 | -160.3 | 159.4 | 0 | 0 | 111.4 | Y840 L843 L884 L885 N886 E891 I892 F954 I959 I962 F963 | Y840-M888 HydrophobicContact CE1-CB 4.46Å; L843-M888 HydrophobicContact CD2-SD 3.87Å; L884-M888 WeakPolarHBondContact O-CB 3.32Å; L884-M888 PolarHBondContact O-N 3.02Å; L885-M888 PolarHBondContact O-N 2.93Å; N886-M888 PolarHBondContact O-N 3.22Å; M888-E891 PolarHBondContact O-N 3.43Å; M888-I892 HydrophobicContact CE-CD1 3.71Å; M888-I892 HydrophobicContact CG-CD1 4.17Å; M888-I892 VanDerWaalsContact O-CG1 3.32Å; M888-I892 WeakPolarHBondContact O-CG1 3.27Å; M888-I892 PolarHBondContact O-N 3.35Å; M888-I892 VanDerWaalsContact O-N 3.13Å; M888-F954 HydrophobicContact CB-CE2 4.11Å; M888-F954 HydrophobicContact CB-CZ 4.32Å; M888-F954 HydrophobicContact CG-CD2 4.38Å; M888-F954 HydrophobicContact CG-CE2 3.86Å; M888-F954 HydrophobicContact CG-CZ 4.04Å; M888-I959 HydrophobicContact CE-CB 4.13Å; M888-I959 HydrophobicContact CE-CG1 4.21Å; M888-I959 HydrophobicContact CE-CG2 3.66Å; M888-I962 HydrophobicContact CE-CB 4.37Å; M888-I962 HydrophobicContact CE-CD1 4.36Å; M888-I962 HydrophobicContact CE-CG2 4.27Å; M888-I962 HydrophobicContact SD-CD1 4.12Å; M888-I962 HydrophobicContact SD-CG2 3.99Å; M888-F963 HydrophobicContact CE-CD2 3.92Å; M888-F963 HydrophobicContact CE-CE2 3.52Å; M888-F963 HydrophobicContact CE-CZ 4.29Å |
| 889 | V | 87.7 | Confident | 79.2 | Confident | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.012 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.5 | -41.9 | -179.6 | 171.3 | 0 | 0 | 0 | 0 | 111.4 | L885 N886 A887 E891 I892 V893 F963 F1003 G1006 V1010 | L885-V889 WeakPolarHBondContact O-CB 3.18Å; L885-V889 VanDerWaalsContact O-CG2 3.25Å; L885-V889 WeakPolarHBondContact O-CG2 3.24Å; L885-V889 PolarHBondContact O-N 2.96Å; N886-V889 PolarHBondContact O-N 3.04Å; A887-V889 PolarHBondContact O-N 3.05Å; V889-E891 VanDerWaalsContact C-N 3.32Å; V889-E891 PolarHBondContact O-N 3.11Å; V889-I892 PolarHBondContact O-N 3.02Å; V889-V893 HydrophobicContact CG1-CG2 4.46Å; V889-V893 VanDerWaalsContact O-CG2 3.31Å; V889-V893 WeakPolarHBondContact O-CG2 3.4Å; V889-V893 PolarHBondContact O-N 3.39Å; V889-V893 VanDerWaalsContact O-N 3.08Å; V889-F963 HydrophobicContact CG2-CZ 4.21Å; V889-F1003 HydrophobicContact CG2-CD2 4.18Å; V889-F1003 HydrophobicContact CG2-CE2 4.07Å; V889-G1006 WeakPolarHBondContact CG1-O 3.23Å; V889-V1010 HydrophobicContact CG1-CG2 3.88Å |
| 890 | C | 84.6 | Confident | 76.7 | Confident | 50 Ų | 50 | 43.9 Ų | 43.9 | 34% | 0.338 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.7 | -39.3 | 174.6 | -72.4 | 0 | 0 | 0 | 0 | 112.5 | N886 A887 I892 V893 Y894 | N886-C890 WeakPolarHBondContact O-CB 3.33Å; N886-C890 PolarHBondContact O-N 3.28Å; N886-C890 PolarHBondContact O-SG 3.33Å; A887-C890 PolarHBondContact O-N 3.19Å; C890-I892 VanDerWaalsContact C-N 3.35Å; C890-V893 PolarHBondContact O-N 2.82Å; C890-Y894 PolarHBondContact O-N 3.38Å |
| 891 | E | 82.2 | Confident | 74.1 | Confident | 32 Ų | 32 | 52.3 Ų | 52.3 | 15% | 0.15 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.4 | -36.9 | 177.4 | -165.4 | 178.8 | 153.9 | 0 | 0 | 112 | Y840 A887 M888 V889 | Y840-E891 VanDerWaalsContact CE2-OE2 3.3Å; Y840-E891 WeakPolarHBondContact CE2-OE2 3.06Å; Y840-E891 VanDerWaalsContact CZ-OE2 3.3Å; Y840-E891 PolarHBondContact OH-OE2 3Å; A887-E891 WeakPolarHBondContact O-CB 3.36Å; A887-E891 PolarHBondContact O-N 3.42Å; M888-E891 PolarHBondContact O-N 3.43Å; V889-E891 VanDerWaalsContact C-N 3.32Å; V889-E891 PolarHBondContact O-N 3.11Å |
| 892 | I | 81.5 | Confident | 71.3 | Confident | 34 Ų | 34 | 60.2 Ų | 60.2 | 17% | 0.174 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.1 | -40.4 | 175.1 | -64.3 | 165.5 | 0 | 0 | 0 | 111.5 | M888 V889 C890 I959 F963 V1010 T1014 | M888-I892 HydrophobicContact CE-CD1 3.71Å; M888-I892 HydrophobicContact CG-CD1 4.17Å; M888-I892 VanDerWaalsContact O-CG1 3.32Å; M888-I892 WeakPolarHBondContact O-CG1 3.27Å; M888-I892 PolarHBondContact O-N 3.35Å; M888-I892 VanDerWaalsContact O-N 3.13Å; V889-I892 PolarHBondContact O-N 3.02Å; C890-I892 VanDerWaalsContact C-N 3.35Å; I892-I959 HydrophobicContact CD1-CD1 4.08Å; I892-I959 HydrophobicContact CD1-CG1 4.38Å; I892-I959 HydrophobicContact CD1-CG2 3.68Å; I892-I959 HydrophobicContact CG1-CD1 4Å; I892-F963 HydrophobicContact CD1-CE2 4.19Å; I892-V1010 HydrophobicContact CB-CG2 4.22Å; I892-V1010 HydrophobicContact CG2-CG1 4.12Å; I892-V1010 HydrophobicContact CG2-CG2 3.87Å; I892-T1014 HydrophobicContact CG2-CG2 3.76Å |
| 893 | V | 81.1 | Confident | 68.7 | Low | 12 Ų | 12 | 68.5 Ų | 68.5 | 7% | 0.073 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -82.3 | -35.3 | -174.3 | 177.6 | 0 | 0 | 0 | 0 | 112.7 | V889 C890 P895 D1009 V1010 | V889-V893 HydrophobicContact CG1-CG2 4.46Å; V889-V893 VanDerWaalsContact O-CG2 3.31Å; V889-V893 WeakPolarHBondContact O-CG2 3.4Å; V889-V893 PolarHBondContact O-N 3.39Å; V889-V893 VanDerWaalsContact O-N 3.08Å; C890-V893 PolarHBondContact O-N 2.82Å; V893-P895 VanDerWaalsContact C-CD 3.44Å; V893-D1009 HydrophobicContact CB-CB 4.49Å; V893-D1009 HydrophobicContact CG1-CB 3.79Å; V893-D1009 HydrophobicContact CG2-CB 3.78Å; V893-V1010 HydrophobicContact CG2-CB 4.4Å; V893-V1010 HydrophobicContact CG2-CG2 3.48Å; V893-V1010 VanDerWaalsContact CG2-CG2 3.48Å |
| 894 | Y | 78.4 | Confident | 65.9 | Low | 94 Ų | 94 | 73 Ų | 73 | 37% | 0.369 | 38% | 0.376 | S | S | . | . | trans | -127.6 | 64.3 | -175.3 | -61.9 | -84.4 | 0 | 0 | 0 | 112.2 | C890 A896 L897 R1013 | C890-Y894 PolarHBondContact O-N 3.38Å; Y894-A896 PolarHBondContact O-N 3.48Å; Y894-A896 VanDerWaalsContact O-N 3.13Å; Y894-L897 HydrophobicContact CD1-CD1 4.18Å; Y894-L897 HydrophobicContact CG-CD1 4.08Å; Y894-L897 PolarHBondContact O-N 3.48Å; Y894-R1013 PolarHBondContact OH-NH1 2.87Å; Y894-R1013 PolarHBondContact OH-NH2 2.69Å | ||
| 895 | P | 66.7 | Low | 63.4 | Low | 53 Ų | 53 | 77.8 Ų | 77.8 | 34% | 0.344 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -59 | -29.9 | 179.6 | 21.2 | -31.1 | 0 | 0 | 0 | 112.6 | V893 L897 Y898 | V893-P895 VanDerWaalsContact C-CD 3.44Å; P895-L897 PolarHBondContact O-N 3.36Å; P895-Y898 PolarHBondContact O-N 2.88Å |
| 896 | A | 56.2 | Low | 60.5 | Low | 57 Ų | 57 | 85.4 Ų | 85.4 | 47% | 0.471 | 45% | 0.449 | S | S | . | . | G | 310 helix | trans | -70.5 | -27.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y894 Y898 Q899 | Y894-A896 PolarHBondContact O-N 3.48Å; Y894-A896 VanDerWaalsContact O-N 3.13Å; A896-Y898 PolarHBondContact O-N 3.39Å; A896-Q899 PolarHBondContact O-N 3.07Å |
| 897 | L | 53.7 | Low | 57.6 | Low | 130 Ų | 130 | 90.6 Ų | 90.6 | 68% | 0.681 | 49% | 0.485 | S | S | * | . | G | 310 helix | trans | -70 | -24.7 | -180 | -76.3 | 175.8 | 0 | 0 | 0 | 112.2 | Y894 P895 | Y894-L897 HydrophobicContact CD1-CD1 4.18Å; Y894-L897 HydrophobicContact CG-CD1 4.08Å; Y894-L897 PolarHBondContact O-N 3.48Å; P895-L897 PolarHBondContact O-N 3.36Å |
| 898 | Y | 50 | Low | 54.9 | Low | 146 Ų | 146 | 95.9 Ų | 95.9 | 57% | 0.573 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | -6.6 | 179.9 | -70.6 | -83.2 | 0 | 0 | 0 | 113.7 | P895 A896 | P895-Y898 PolarHBondContact O-N 2.88Å; A896-Y898 PolarHBondContact O-N 3.39Å |
| 899 | Q | 46.5 | Very low | 52.1 | Low | 120 Ų | 120 | 103.3 Ų | 103.3 | 56% | 0.561 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | -16.4 | 179.8 | -75.6 | 178.3 | -2.6 | 0 | 0 | 114.5 | A896 H901 | A896-Q899 PolarHBondContact O-N 3.07Å; Q899-H901 PolarHBondContact O-N 2.66Å |
| 900 | N | 36.7 | Very low | 50.1 | Low | 129 Ų | 129 | 107.3 Ų | 107.3 | 69% | 0.69 | 58% | 0.581 | S | S | * | * | trans | -102.3 | 36.4 | -165.1 | -76.9 | -27.4 | 0 | 0 | 0 | 116.8 | ||||
| 901 | H | 36 | Very low | 47.2 | Very low | 178 Ų | 178 | 113.4 Ų | 113.4 | 82% | 0.824 | 60% | 0.604 | S | S | * | * | trans | -97.5 | 63.8 | 161.5 | -87.3 | -60.5 | 0 | 0 | 0 | 111.2 | Q899 | Q899-H901 PolarHBondContact O-N 2.66Š| ||
| 902 | H | 33.6 | Very low | 44.4 | Very low | 168 Ų | 168 | 116.7 Ų | 116.7 | 78% | 0.778 | 63% | 0.631 | S | S | * | * | trans | -93.3 | 100.4 | 165.2 | -87.5 | -72.4 | 0 | 0 | 0 | 109.7 | S904 | H902-S904 PolarHBondContact O-N 3.39Š| ||
| 903 | H | 34 | Very low | 41.6 | Very low | 176 Ų | 176 | 120.4 Ų | 120.4 | 82% | 0.815 | 66% | 0.66 | S | S | * | * | trans | -60 | 112.3 | 165.2 | -77.8 | -77.5 | 0 | 0 | 0 | 109.7 | ||||
| 904 | S | 30 | Very low | 38.9 | Very low | 117 Ų | 117 | 124.9 Ų | 124.9 | 82% | 0.818 | 69% | 0.692 | S | S | * | * | trans | -88.9 | 116.7 | 163.7 | 179.5 | 0 | 0 | 0 | 0 | 108.8 | H902 | H902-S904 PolarHBondContact O-N 3.39Š| ||
| 905 | P | 38.4 | Very low | 36.3 | Very low | 103 Ų | 103 | 125.2 Ų | 125.2 | 67% | 0.669 | 71% | 0.708 | S | S | * | * | trans | -91.3 | 131.4 | 177.4 | 33 | -26.7 | 0 | 0 | 0 | 111.3 | ||||
| 906 | N | 29.2 | Very low | 34.2 | Very low | 163 Ų | 163 | 126.3 Ų | 126.3 | 87% | 0.872 | 72% | 0.721 | S | S | * | * | trans | 66.3 | 97.8 | 157.3 | -61 | -14.3 | 0 | 0 | 0 | 118.4 | ||||
| 907 | S | 29.1 | Very low | 32.6 | Very low | 119 Ų | 119 | 133.9 Ų | 133.9 | 83% | 0.832 | 74% | 0.739 | S | S | * | * | trans | -145.4 | 116 | 143 | 166.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 908 | T | 28.8 | Very low | 31.2 | Very low | 129 Ų | 129 | 132.2 Ų | 132.2 | 79% | 0.791 | 74% | 0.744 | S | S | * | * | trans | -59.3 | 129.6 | 174.9 | 40.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 909 | L | 29.4 | Very low | 30.2 | Very low | 158 Ų | 158 | 131.4 Ų | 131.4 | 83% | 0.827 | 76% | 0.759 | S | S | * | * | trans | 6.7 | 164.7 | 133.1 | -72.4 | 151.8 | 0 | 0 | 0 | 118.6 | ||||
| 910 | P | 45.3 | Very low | 29.1 | Very low | 86 Ų | 86 | 131.5 Ų | 131.5 | 56% | 0.558 | 77% | 0.774 | S | S | * | * | cis | -142 | -176.3 | -20.8 | 26.3 | -1 | 0 | 0 | 0 | 114.7 | ||||
| 911 | H | 24.5 | Very low | 28.5 | Very low | 178 Ų | 178 | 129.1 Ų | 129.1 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | trans | 78.2 | 139.8 | 160.7 | -53.3 | -60.3 | 0 | 0 | 0 | 116.5 | ||||
| 912 | S | 23.6 | Very low | 28 | Very low | 100 Ų | 100 | 128 Ų | 128 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | cis | -172.6 | 142.6 | 11.1 | 38 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 913 | S | 23.4 | Very low | 27.4 | Very low | 113 Ų | 113 | 122.9 Ų | 122.9 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | trans | 32.8 | 121.7 | 144.2 | 60.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 914 | S | 23.8 | Very low | 27 | Very low | 106 Ų | 106 | 120.7 Ų | 120.7 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | trans | 165.6 | 101.1 | 139.7 | 162.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 915 | S | 23 | Very low | 26.7 | Very low | 101 Ų | 101 | 121.6 Ų | 121.6 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | 89.6 | 110.7 | 88.4 | 89.8 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 916 | A | 22.4 | Very low | 26 | Very low | 75 Ų | 75 | 122.5 Ų | 122.5 | 62% | 0.62 | 79% | 0.791 | S | S | * | * | 69.3 | 144.2 | 129.5 | 0 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 917 | Y | 24.3 | Very low | 25.6 | Very low | 217 Ų | 217 | 122.1 Ų | 122.1 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | trans | 104.8 | 88.2 | 154.1 | -58.7 | -72.9 | 0 | 0 | 0 | 119.1 | ||||
| 918 | A | 22.5 | Very low | 25.4 | Very low | 95 Ų | 95 | 128.1 Ų | 128.1 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | 55.4 | 115.5 | 115.3 | 0 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 919 | S | 29.9 | Very low | 25.2 | Very low | 128 Ų | 128 | 132.3 Ų | 132.3 | 90% | 0.895 | 80% | 0.797 | S | S | * | * | -154.3 | 135.3 | 126.7 | 46.2 | 0 | 0 | 0 | 0 | 111 | |||||
| 920 | S | 23 | Very low | 24.9 | Very low | 123 Ų | 123 | 133.5 Ų | 133.5 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | trans | -89.3 | 147.4 | -166.6 | 47.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 921 | G | 25.2 | Very low | 23.9 | Very low | 79 Ų | 79 | 135 Ų | 135 | 81% | 0.814 | 80% | 0.803 | S | S | * | * | trans | -175.8 | 81.4 | 169 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 922 | V | 24.5 | Very low | 23.8 | Very low | 153 Ų | 153 | 133.9 Ų | 133.9 | 93% | 0.927 | 80% | 0.798 | S | S | * | * | trans | -31.7 | 142 | 164.5 | -173.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 923 | G | 22 | Very low | 23.9 | Very low | 61 Ų | 61 | 137.1 Ų | 137.1 | 63% | 0.629 | 80% | 0.802 | S | S | * | * | cis | 147.9 | 112.9 | 15.3 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 924 | S | 24 | Very low | 23.9 | Very low | 130 Ų | 130 | 139.8 Ų | 139.8 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | trans | -157.3 | 96.8 | 165.3 | -82.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 925 | T | 24 | Very low | 24 | Very low | 137 Ų | 137 | 142.9 Ų | 142.9 | 84% | 0.84 | 80% | 0.802 | S | S | * | * | trans | -81.9 | 121.7 | 178.7 | 47.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 926 | S | 23.4 | Very low | 24 | Very low | 121 Ų | 121 | 145.5 Ų | 145.5 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | trans | -157.7 | 105.2 | 143.2 | -144.8 | 0 | 0 | 0 | 0 | 109.3 | R928 | S926-R928 PolarHBondContact O-N 3.31Š| ||
| 927 | D | 22.4 | Very low | 24.2 | Very low | 155 Ų | 155 | 148.9 Ų | 148.9 | 83% | 0.829 | 82% | 0.821 | S | S | * | * | trans | -58.6 | 123.5 | 179.5 | -67.5 | -57 | 0 | 0 | 0 | 112.1 | ||||
| 928 | R | 23.9 | Very low | 24.1 | Very low | 245 Ų | 245 | 143.6 Ų | 143.6 | 93% | 0.925 | 82% | 0.816 | S | S | * | * | trans | -125 | 100.7 | 156.7 | -97.7 | -173.4 | -179.9 | 177.2 | 1.4 | 109.6 | S926 K930 | S926-R928 PolarHBondContact O-N 3.31Å; R928-K930 PolarHBondContact O-N 3Å | ||
| 929 | Y | 24.3 | Very low | 24.4 | Very low | 218 Ų | 218 | 145.9 Ų | 145.9 | 86% | 0.855 | 82% | 0.82 | S | S | * | * | trans | -2.5 | 104.8 | 159.1 | -85.3 | -98.5 | 0 | 0 | 0 | 116.3 | ||||
| 930 | K | 23 | Very low | 24.2 | Very low | 182 Ų | 182 | 147.1 Ų | 147.1 | 79% | 0.791 | 82% | 0.816 | S | S | * | * | trans | -70.6 | 119.9 | 154.3 | -84 | 178.7 | 170.8 | -178 | 0 | 108.6 | R928 | R928-K930 PolarHBondContact O-N 3Š| ||
| 931 | V | 24.4 | Very low | 24.3 | Very low | 119 Ų | 119 | 147.7 Ų | 147.7 | 72% | 0.721 | 81% | 0.81 | S | S | * | * | trans | -102.4 | 105.3 | 158.7 | 176.7 | 0 | 0 | 0 | 0 | 106.3 | H933 | V931-H933 PolarHBondContact O-N 2.63Š| ||
| 932 | E | 22.4 | Very low | 24.4 | Very low | 153 Ų | 153 | 156 Ų | 156 | 72% | 0.715 | 82% | 0.817 | S | S | * | * | trans | -73.7 | 117 | 174.9 | -73 | 177.3 | 160.7 | 0 | 0 | 109.5 | Q934 | E932-Q934 PolarHBondContact O-N 3.39Š| ||
| 933 | H | 26.9 | Very low | 24.4 | Very low | 169 Ų | 169 | 155.6 Ų | 155.6 | 78% | 0.782 | 81% | 0.809 | S | S | * | * | trans | -77.8 | 100.9 | 166.2 | -87.7 | -83 | 0 | 0 | 0 | 109.1 | V931 F935 | V931-H933 PolarHBondContact O-N 2.63Å; H933-F935 PolarHBondContact O-N 3.19Å | ||
| 934 | Q | 22.7 | Very low | 24.7 | Very low | 168 Ų | 168 | 160.9 Ų | 160.9 | 79% | 0.785 | 82% | 0.821 | S | S | * | * | trans | -68.1 | 107.4 | 170.4 | -73.4 | 176.9 | -12.7 | 0 | 0 | 110.3 | E932 | E932-Q934 PolarHBondContact O-N 3.39Š| ||
| 935 | F | 25.4 | Very low | 24.6 | Very low | 172 Ų | 172 | 157.8 Ų | 157.8 | 75% | 0.754 | 81% | 0.81 | S | S | * | * | trans | -85.9 | 100.4 | 161.4 | -86.9 | -86.8 | 0 | 0 | 0 | 108.7 | H933 T937 | H933-F935 PolarHBondContact O-N 3.19Å; F935-T937 PolarHBondContact O-N 2.79Å | ||
| 936 | N | 23.9 | Very low | 24.7 | Very low | 156 Ų | 156 | 159.5 Ų | 159.5 | 83% | 0.834 | 81% | 0.81 | S | S | * | * | trans | -82.5 | 103.3 | 172.5 | -110 | -8.6 | 0 | 0 | 0 | 109.5 | S938 | N936-S938 PolarHBondContact O-N 2.69Š| ||
| 937 | T | 25.9 | Very low | 24.7 | Very low | 145 Ų | 145 | 160 Ų | 160 | 89% | 0.89 | 81% | 0.808 | S | S | * | * | trans | -83 | 107.7 | 171 | 33.3 | 0 | 0 | 0 | 0 | 110.3 | F935 | F935-T937 PolarHBondContact O-N 2.79Š| ||
| 938 | S | 23.3 | Very low | 25.1 | Very low | 107 Ų | 107 | 157.9 Ų | 157.9 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | trans | -133 | 119.8 | 163.7 | 163.2 | 0 | 0 | 0 | 0 | 106.2 | N936 | N936-S938 PolarHBondContact O-N 2.69Š| ||
| 939 | V | 28.3 | Very low | 25.5 | Very low | 143 Ų | 143 | 152.8 Ų | 152.8 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | trans | 175.6 | 135.5 | 137.1 | 159.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 940 | N | 25.4 | Very low | 26 | Very low | 154 Ų | 154 | 149 Ų | 149 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | trans | -60.5 | 139.3 | -174.6 | -78.9 | -43.2 | 0 | 0 | 0 | 116.4 | ||||
| 941 | N | 25.9 | Very low | 27 | Very low | 135 Ų | 135 | 143.4 Ų | 143.4 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | trans | 4.4 | 116.2 | 140.4 | -84.2 | -19.4 | 0 | 0 | 0 | 118.8 | ||||
| 942 | R | 26.2 | Very low | 28.4 | Very low | 253 Ų | 253 | 143.7 Ų | 143.7 | 96% | 0.955 | 79% | 0.786 | S | S | * | * | -142 | 116.3 | 124.9 | -76.7 | -165.3 | 177.9 | 154.8 | 0 | 110.4 | |||||
| 943 | N | 25.7 | Very low | 30.3 | Very low | 144 Ų | 144 | 139.4 Ų | 139.4 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | trans | -72.2 | 126 | 177 | -69.7 | -28.6 | 0 | 0 | 0 | 111.9 | ||||
| 944 | I | 27 | Very low | 32.2 | Very low | 173 Ų | 173 | 131.9 Ų | 131.9 | 89% | 0.887 | 73% | 0.73 | S | S | * | * | trans | -138.2 | 119.7 | 142.6 | -62.4 | -176.2 | 0 | 0 | 0 | 106.7 | ||||
| 945 | G | 23.1 | Very low | 34.6 | Very low | 64 Ų | 64 | 128.6 Ų | 128.6 | 66% | 0.66 | 72% | 0.718 | S | S | * | * | trans | -74.5 | 124.4 | -167.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 946 | M | 25.2 | Very low | 37 | Very low | 174 Ų | 174 | 122.8 Ų | 122.8 | 86% | 0.857 | 70% | 0.699 | S | S | * | * | trans | -135.2 | 117.5 | 149.9 | -80.9 | -75.8 | 99 | 0 | 0 | 106 | P948 | M946-P948 WeakPolarHBondContact O-CD 3.5Š| ||
| 947 | T | 24.3 | Very low | 39.6 | Very low | 131 Ų | 131 | 122.3 Ų | 122.3 | 80% | 0.804 | 69% | 0.689 | S | S | * | * | trans | -64.9 | 117 | 177.9 | 47.1 | 0 | 0 | 0 | 0 | 109.1 | T949 | T947-T949 PolarHBondContact O-N 3.46Š| ||
| 948 | P | 30.9 | Very low | 42.3 | Very low | 111 Ų | 111 | 115.4 Ų | 115.4 | 72% | 0.721 | 65% | 0.647 | S | S | * | * | trans | -78.2 | 112.8 | -174.2 | 28.6 | -30 | 0 | 0 | 0 | 110.2 | M946 T950 | M946-P948 WeakPolarHBondContact O-CD 3.5Å; P948-T950 PolarHBondContact O-N 2.85Å; P948-T950 VanDerWaalsContact O-N 3.13Å | ||
| 949 | T | 31.9 | Very low | 45.2 | Very low | 138 Ų | 138 | 111.5 Ų | 111.5 | 85% | 0.847 | 62% | 0.617 | S | S | * | * | trans | -67.3 | 99.3 | 158.4 | 50.2 | 0 | 0 | 0 | 0 | 107.7 | T947 G951 | T947-T949 PolarHBondContact O-N 3.46Å; T949-G951 VanDerWaalsContact C-N 3.29Å; T949-G951 PolarHBondContact O-N 2.96Å | ||
| 950 | T | 34.2 | Very low | 47.9 | Very low | 139 Ų | 139 | 106.1 Ų | 106.1 | 85% | 0.853 | 58% | 0.583 | S | S | * | * | trans | -72.3 | 77.1 | 177.8 | 36 | 0 | 0 | 0 | 0 | 110.8 | P948 | P948-T950 PolarHBondContact O-N 2.85Å; P948-T950 VanDerWaalsContact O-N 3.13Å | ||
| 951 | G | 44.5 | Very low | 50.7 | Low | 63 Ų | 63 | 99.7 Ų | 99.7 | 65% | 0.649 | 55% | 0.548 | S | S | * | . | trans | -107.6 | 139.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | T949 F953 | T949-G951 VanDerWaalsContact C-N 3.29Å; T949-G951 PolarHBondContact O-N 2.96Å; G951-F953 PolarHBondContact O-N 3.09Å | ||
| 952 | H | 53.6 | Low | 53.7 | Low | 126 Ų | 126 | 93.4 Ų | 93.4 | 58% | 0.583 | 52% | 0.515 | S | S | * | . | trans | -40.7 | 125.3 | 174.8 | -82.1 | -86.2 | 0 | 0 | 0 | 111.8 | F954 | H952-F954 VanDerWaalsContact C-N 3.31Å; H952-F954 PolarHBondContact O-N 3.46Å | ||
| 953 | F | 61 | Low | 56.6 | Low | 62 Ų | 62 | 81.5 Ų | 81.5 | 27% | 0.272 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -67 | -34.5 | -175.6 | -168.1 | -82.5 | 0 | 0 | 0 | 112.1 | N837 Y840 M844 G951 | N837-F953 HydrophobicContact CB-CE2 3.91Å; N837-F953 HydrophobicContact CB-CZ 4.23Å; N837-F953 WeakPolarHBondContact O-CZ 3.35Å; Y840-F953 VanDerWaalsContact CB-CD1 3.44Å; Y840-F953 HydrophobicContact CD2-CB 4.11Å; Y840-F953 AromaticContact CD2-CD1 3.43Å; Y840-F953 HydrophobicContact CD2-CD1 3.43Å; Y840-F953 VanDerWaalsContact CD2-CD1 3.43Å; Y840-F953 HydrophobicContact CD2-CD2 4.39Å; Y840-F953 AromaticContact CD2-CE1 3.92Å; Y840-F953 HydrophobicContact CD2-CE1 3.92Å; Y840-F953 AromaticContact CD2-CG 3.72Å; Y840-F953 HydrophobicContact CD2-CG 3.72Å; Y840-F953 HydrophobicContact CE2-CB 4.42Å; Y840-F953 HydrophobicContact CE2-CD1 4.47Å; Y840-F953 HydrophobicContact CE2-CG 4.47Å; Y840-F953 AromaticContact CG-CD1 3.88Å; Y840-F953 HydrophobicContact CG-CD1 3.88Å; Y840-F953 HydrophobicContact CG-CE1 4.04Å; M844-F953 HydrophobicContact CE-CD1 4.4Å; M844-F953 HydrophobicContact CE-CE1 3.73Å; G951-F953 PolarHBondContact O-N 3.09Å |
| 954 | F | 68.3 | Low | 59.5 | Low | 12 Ų | 12 | 76 Ų | 76 | 5% | 0.053 | 44% | 0.443 | C | S | . | . | S | Bend | trans | -94.6 | 126.6 | 173.1 | -66 | -79.6 | 0 | 0 | 0 | 111.4 | Y840 L843 M844 M888 H952 A958 I959 I962 | Y840-F954 AromaticContact CD1-CE2 3.52Å; Y840-F954 HydrophobicContact CD1-CE2 3.52Å; Y840-F954 AromaticContact CD1-CZ 3.35Å; Y840-F954 HydrophobicContact CD1-CZ 3.35Å; Y840-F954 AromaticContact CD2-CE2 3.8Å; Y840-F954 HydrophobicContact CD2-CE2 3.8Å; Y840-F954 HydrophobicContact CD2-CZ 4.16Å; Y840-F954 AromaticContact CE1-CE2 3.63Å; Y840-F954 HydrophobicContact CE1-CE2 3.63Å; Y840-F954 AromaticContact CE1-CZ 3.89Å; Y840-F954 HydrophobicContact CE1-CZ 3.89Å; Y840-F954 AromaticContact CE2-CE2 3.85Å; Y840-F954 HydrophobicContact CE2-CE2 3.85Å; Y840-F954 HydrophobicContact CG-CE1 4.46Å; Y840-F954 AromaticContact CG-CE2 3.61Å; Y840-F954 HydrophobicContact CG-CE2 3.61Å; Y840-F954 AromaticContact CG-CZ 3.5Å; Y840-F954 HydrophobicContact CG-CZ 3.5Å; Y840-F954 VanDerWaalsContact CG-CZ 3.5Å; Y840-F954 AromaticContact CZ-CE2 3.75Å; L843-F954 HydrophobicContact CD2-CZ 4.3Å; M844-F954 HydrophobicContact CG-CD1 4.15Å; M844-F954 HydrophobicContact CG-CE1 3.96Å; M844-F954 HydrophobicContact SD-CD1 4.12Å; M844-F954 HydrophobicContact SD-CE1 4.38Å; M888-F954 HydrophobicContact CB-CE2 4.11Å; M888-F954 HydrophobicContact CB-CZ 4.32Å; M888-F954 HydrophobicContact CG-CD2 4.38Å; M888-F954 HydrophobicContact CG-CE2 3.86Å; M888-F954 HydrophobicContact CG-CZ 4.04Å; H952-F954 VanDerWaalsContact C-N 3.31Å; H952-F954 PolarHBondContact O-N 3.46Å; F954-A958 HydrophobicContact CD1-CB 4.12Å; F954-I959 HydrophobicContact CB-CD1 3.98Å; F954-I959 HydrophobicContact CB-CG1 3.66Å; F954-I959 HydrophobicContact CG-CG1 4.21Å; F954-I962 HydrophobicContact CD1-CD1 4.04Å; F954-I962 HydrophobicContact CE1-CD1 3.59Å; F954-I962 HydrophobicContact CZ-CD1 4.47Å |
| 955 | D | 71.9 | Confident | 62.3 | Low | 98 Ų | 98 | 68 Ų | 68 | 52% | 0.524 | 40% | 0.402 | S | S | . | . | trans | -70.6 | 149.7 | 160.1 | -172.5 | 7.5 | 0 | 0 | 0 | 109.2 | K957 A958 I959 | D955-K957 PolarHBondContact O-N 3.23Å; D955-K957 VanDerWaalsContact O-N 3.08Å; D955-A958 WeakPolarHBondContact O-CA 3.37Å; D955-A958 VanDerWaalsContact O-CB 3.32Å; D955-A958 WeakPolarHBondContact O-CB 3.26Å; D955-A958 PolarHBondContact O-N 3.29Å; D955-I959 PolarHBondContact O-N 3.19Å | ||
| 956 | S | 75.7 | Confident | 65.5 | Low | 51 Ų | 51 | 65 Ų | 65 | 36% | 0.357 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -51.5 | -37.4 | 179 | 167.7 | 0 | 0 | 0 | 0 | 111.5 | A958 I959 Q960 D1016 | S956-A958 VanDerWaalsContact C-N 3.35Å; S956-A958 PolarHBondContact O-N 2.93Å; S956-I959 PolarHBondContact O-N 2.69Å; S956-Q960 VanDerWaalsContact O-CG 3.26Å; S956-Q960 WeakPolarHBondContact O-CG 3.3Å; S956-Q960 PolarHBondContact O-N 3.1Å; S956-Q960 PolarHBondContact OG-NE2 3.04Å; S956-D1016 PolarHBondContact OG-OD2 3.18Å |
| 957 | K | 79.2 | Confident | 68.5 | Low | 145 Ų | 145 | 58.1 Ų | 58.1 | 63% | 0.63 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -62.6 | -36.1 | 175.2 | -69.3 | 178.4 | -179.3 | 172.2 | 0 | 113.8 | D955 L961 | D955-K957 PolarHBondContact O-N 3.23Å; D955-K957 VanDerWaalsContact O-N 3.08Å; K957-L961 WeakPolarHBondContact O-CB 3.13Å; K957-L961 PolarHBondContact O-N 3.36Å |
| 958 | A | 81.8 | Confident | 71.5 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.008 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68 | -43.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y799 M844 F954 D955 S956 L961 I962 | Y799-A958 HydrophobicContact CE2-CB 4.36Å; Y799-A958 WeakPolarHBondContact OH-CB 3.39Å; M844-A958 HydrophobicContact CG-CB 4.11Å; M844-A958 HydrophobicContact SD-CB 3.82Å; F954-A958 HydrophobicContact CD1-CB 4.12Å; D955-A958 WeakPolarHBondContact O-CA 3.37Å; D955-A958 VanDerWaalsContact O-CB 3.32Å; D955-A958 WeakPolarHBondContact O-CB 3.26Å; D955-A958 PolarHBondContact O-N 3.29Å; S956-A958 VanDerWaalsContact C-N 3.35Å; S956-A958 PolarHBondContact O-N 2.93Å; A958-L961 WeakPolarHBondContact O-CB 3.38Å; A958-L961 PolarHBondContact O-N 3.15Å; A958-I962 WeakPolarHBondContact O-CD1 3.44Å; A958-I962 VanDerWaalsContact O-CG1 3.24Å; A958-I962 WeakPolarHBondContact O-CG1 3.5Å; A958-I962 PolarHBondContact O-N 3.39Å |
| 959 | I | 84.8 | Confident | 74.3 | Confident | 24 Ų | 24 | 47.2 Ų | 47.2 | 12% | 0.123 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.3 | -49.8 | 175.9 | -61 | 174.9 | 0 | 0 | 0 | 110.1 | M888 I892 F954 D955 S956 L961 I962 F963 L1019 | M888-I959 HydrophobicContact CE-CB 4.13Å; M888-I959 HydrophobicContact CE-CG1 4.21Å; M888-I959 HydrophobicContact CE-CG2 3.66Å; I892-I959 HydrophobicContact CD1-CD1 4.08Å; I892-I959 HydrophobicContact CD1-CG1 4.38Å; I892-I959 HydrophobicContact CD1-CG2 3.68Å; I892-I959 HydrophobicContact CG1-CD1 4Å; F954-I959 HydrophobicContact CB-CD1 3.98Å; F954-I959 HydrophobicContact CB-CG1 3.66Å; F954-I959 HydrophobicContact CG-CG1 4.21Å; D955-I959 PolarHBondContact O-N 3.19Å; S956-I959 PolarHBondContact O-N 2.69Å; I959-L961 VanDerWaalsContact C-N 3.32Å; I959-L961 PolarHBondContact O-N 2.88Å; I959-I962 PolarHBondContact O-N 3.14Å; I959-F963 HydrophobicContact CG2-CD2 3.85Å; I959-F963 HydrophobicContact CG2-CE2 3.92Å; I959-F963 WeakPolarHBondContact O-CD2 3.39Å; I959-F963 PolarHBondContact O-N 3.21Å; I959-L1019 HydrophobicContact CG2-CD1 3.68Å; I959-L1019 HydrophobicContact CG2-CD2 3.96Å; I959-L1019 HydrophobicContact CG2-CG 4.49Å |
| 960 | Q | 84.2 | Confident | 77.1 | Confident | 30 Ų | 30 | 40.7 Ų | 40.7 | 14% | 0.14 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.3 | -41.5 | 177.4 | -70.8 | 175.6 | 5.8 | 0 | 0 | 111.8 | S956 S964 D1016 L1019 I1022 | S956-Q960 VanDerWaalsContact O-CG 3.26Å; S956-Q960 WeakPolarHBondContact O-CG 3.3Å; S956-Q960 PolarHBondContact O-N 3.1Å; S956-Q960 PolarHBondContact OG-NE2 3.04Å; Q960-S964 VanDerWaalsContact O-CB 3.29Å; Q960-S964 WeakPolarHBondContact O-CB 3.42Å; Q960-S964 PolarHBondContact O-N 3.25Å; Q960-S964 PolarHBondContact O-OG 2.92Å; Q960-D1016 PolarHBondContact NE2-OD2 3.42Å; Q960-D1016 VanDerWaalsContact NE2-OD2 3.13Å; Q960-L1019 HydrophobicContact CG-CD1 4.43Å; Q960-I1022 HydrophobicContact CB-CD1 3.58Å; Q960-I1022 HydrophobicContact CG-CD1 3.73Å |
| 961 | L | 84.9 | Confident | 79.6 | Confident | 19 Ų | 19 | 35.1 Ų | 35.1 | 10% | 0.099 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.7 | -46.1 | 176.9 | -179.6 | 64.2 | 0 | 0 | 0 | 112.1 | Y799 A847 R848 K851 K957 A958 I959 S964 T965 | Y799-L961 HydrophobicContact CD2-CD2 4.06Å; Y799-L961 HydrophobicContact CE2-CD2 3.72Å; A847-L961 HydrophobicContact CB-CD2 4.21Å; A847-L961 HydrophobicContact CB-CG 3.96Å; R848-L961 HydrophobicContact CB-CD2 4.35Å; K851-L961 HydrophobicContact CB-CD1 3.97Å; K851-L961 HydrophobicContact CD-CD1 3.67Å; K851-L961 HydrophobicContact CG-CD1 4.08Å; K957-L961 WeakPolarHBondContact O-CB 3.13Å; K957-L961 PolarHBondContact O-N 3.36Å; A958-L961 WeakPolarHBondContact O-CB 3.38Å; A958-L961 PolarHBondContact O-N 3.15Å; I959-L961 VanDerWaalsContact C-N 3.32Å; I959-L961 PolarHBondContact O-N 2.88Å; L961-S964 WeakPolarHBondContact CA-OG 3.34Å; L961-S964 PolarHBondContact O-N 3.41Å; L961-S964 PolarHBondContact O-OG 3.42Å; L961-T965 HydrophobicContact CD1-CG2 4.5Å; L961-T965 PolarHBondContact O-N 3.41Å; L961-T965 PolarHBondContact O-OG1 3.35Å |
| 962 | I | 88.1 | Confident | 81.7 | Confident | 4 Ų | 4 | 32.3 Ų | 32.3 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.7 | -49.3 | 179.5 | -67.1 | 160.1 | 0 | 0 | 0 | 110.2 | L843 M844 A847 L885 M888 F954 A958 I959 S964 T965 I966 | L843-I962 HydrophobicContact CD1-CG2 4.33Å; L843-I962 HydrophobicContact CD2-CD1 3.8Å; L843-I962 HydrophobicContact CD2-CG1 4.44Å; L843-I962 HydrophobicContact CD2-CG2 4.1Å; L843-I962 HydrophobicContact CG-CD1 3.82Å; L843-I962 HydrophobicContact CG-CG1 4.09Å; L843-I962 HydrophobicContact CG-CG2 4.1Å; M844-I962 HydrophobicContact CG-CD1 4.33Å; A847-I962 HydrophobicContact CB-CB 4.37Å; A847-I962 HydrophobicContact CB-CG1 3.73Å; L885-I962 HydrophobicContact CD2-CG2 4.35Å; M888-I962 HydrophobicContact CE-CB 4.37Å; M888-I962 HydrophobicContact CE-CD1 4.36Å; M888-I962 HydrophobicContact CE-CG2 4.27Å; M888-I962 HydrophobicContact SD-CD1 4.12Å; M888-I962 HydrophobicContact SD-CG2 3.99Å; F954-I962 HydrophobicContact CD1-CD1 4.04Å; F954-I962 HydrophobicContact CE1-CD1 3.59Å; F954-I962 HydrophobicContact CZ-CD1 4.47Å; A958-I962 WeakPolarHBondContact O-CD1 3.44Å; A958-I962 VanDerWaalsContact O-CG1 3.24Å; A958-I962 WeakPolarHBondContact O-CG1 3.5Å; A958-I962 PolarHBondContact O-N 3.39Å; I959-I962 PolarHBondContact O-N 3.14Å; I962-S964 VanDerWaalsContact C-N 3.31Å; I962-S964 PolarHBondContact O-N 2.99Å; I962-T965 CarbonylContact O-C 3.55Å; I962-T965 PolarHBondContact O-N 2.9Å; I962-T965 VanDerWaalsContact O-N 3.14Å; I962-T965 PolarHBondContact O-OG1 3.43Å; I962-I966 PolarHBondContact O-N 2.88Å; I962-I966 VanDerWaalsContact O-N 3.11Å |
| 963 | F | 88.8 | Confident | 83.5 | Confident | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.009 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.9 | -33.4 | 176.9 | -81.3 | -70.3 | 0 | 0 | 0 | 112.9 | M888 V889 I892 I959 T965 I966 F1003 V1007 L1019 I1022 I1023 H1026 V1027 | M888-F963 HydrophobicContact CE-CD2 3.92Å; M888-F963 HydrophobicContact CE-CE2 3.52Å; M888-F963 HydrophobicContact CE-CZ 4.29Å; V889-F963 HydrophobicContact CG2-CZ 4.21Å; I892-F963 HydrophobicContact CD1-CE2 4.19Å; I959-F963 HydrophobicContact CG2-CD2 3.85Å; I959-F963 HydrophobicContact CG2-CE2 3.92Å; I959-F963 WeakPolarHBondContact O-CD2 3.39Å; I959-F963 PolarHBondContact O-N 3.21Å; F963-T965 PolarHBondContact O-N 3.37Å; F963-I966 WeakPolarHBondContact O-CB 3.38Å; F963-I966 WeakPolarHBondContact O-CG2 3.21Å; F963-I966 PolarHBondContact O-N 3.15Å; F963-F1003 HydrophobicContact CE1-CZ 4.49Å; F963-V1007 HydrophobicContact CE1-CG2 4.16Å; F963-L1019 HydrophobicContact CD2-CD1 3.65Å; F963-L1019 HydrophobicContact CE2-CD1 4.16Å; F963-L1019 HydrophobicContact CG-CD1 4.39Å; F963-I1022 HydrophobicContact CB-CG2 3.75Å; F963-I1023 HydrophobicContact CB-CG1 4.39Å; F963-I1023 HydrophobicContact CD1-CD1 4.49Å; F963-I1023 HydrophobicContact CD1-CG1 3.8Å; F963-I1023 HydrophobicContact CD2-CG1 4.3Å; F963-I1023 HydrophobicContact CE1-CD1 4.34Å; F963-I1023 HydrophobicContact CE1-CG1 4.08Å; F963-I1023 HydrophobicContact CE2-CD1 4.34Å; F963-I1023 HydrophobicContact CG-CG1 3.92Å; F963-I1023 HydrophobicContact CZ-CD1 4.25Å; F963-I1023 HydrophobicContact CZ-CG1 4.43Å; F963-H1026 VanDerWaalsContact O-CB 3.31Å; F963-H1026 WeakPolarHBondContact O-CB 3.38Å; F963-V1027 HydrophobicContact CD1-CG2 4.48Å |
| 964 | S | 85.5 | Confident | 84.8 | Confident | 29 Ų | 29 | 23.9 Ų | 23.9 | 20% | 0.203 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -68.2 | -17.9 | 176.2 | 74.6 | 0 | 0 | 0 | 0 | 114.1 | Q960 L961 I962 H1026 | Q960-S964 VanDerWaalsContact O-CB 3.29Å; Q960-S964 WeakPolarHBondContact O-CB 3.42Å; Q960-S964 PolarHBondContact O-N 3.25Å; Q960-S964 PolarHBondContact O-OG 2.92Å; L961-S964 WeakPolarHBondContact CA-OG 3.34Å; L961-S964 PolarHBondContact O-N 3.41Å; L961-S964 PolarHBondContact O-OG 3.42Å; I962-S964 VanDerWaalsContact C-N 3.31Å; I962-S964 PolarHBondContact O-N 2.99Å; S964-H1026 PolarHBondContact O-ND1 2.83Å |
| 965 | T | 87 | Confident | 85.8 | Confident | 5 Ų | 5 | 26 Ų | 26 | 3% | 0.031 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.2 | 11.4 | -177.1 | 56 | 0 | 0 | 0 | 0 | 113.1 | A847 K851 L961 I962 F963 H967 W968 | A847-T965 WeakPolarHBondContact CA-OG1 3.14Å; A847-T965 WeakPolarHBondContact CB-OG1 3.46Å; K851-T965 HydrophobicContact CB-CG2 4.11Å; L961-T965 HydrophobicContact CD1-CG2 4.5Å; L961-T965 PolarHBondContact O-N 3.41Å; L961-T965 PolarHBondContact O-OG1 3.35Å; I962-T965 CarbonylContact O-C 3.55Å; I962-T965 PolarHBondContact O-N 2.9Å; I962-T965 VanDerWaalsContact O-N 3.14Å; I962-T965 PolarHBondContact O-OG1 3.43Å; F963-T965 PolarHBondContact O-N 3.37Å; T965-H967 PolarHBondContact O-N 3.32Å; T965-H967 VanDerWaalsContact O-N 3.16Å; T965-W968 PolarHBondContact O-N 2.99Å; T965-W968 VanDerWaalsContact O-N 3.13Å |
| 966 | I | 89.7 | Confident | 86.6 | Confident | 2 Ų | 2 | 21.3 Ų | 21.3 | 1% | 0.01 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.6 | -28.5 | -172.9 | -162.5 | 65.9 | 0 | 0 | 0 | 113.7 | L885 I962 F963 W968 A969 F970 F1003 H1026 I1030 | L885-I966 HydrophobicContact CD1-CD1 4.31Å; L885-I966 HydrophobicContact CD2-CD1 4.03Å; I962-I966 PolarHBondContact O-N 2.88Å; I962-I966 VanDerWaalsContact O-N 3.11Å; F963-I966 WeakPolarHBondContact O-CB 3.38Å; F963-I966 WeakPolarHBondContact O-CG2 3.21Å; F963-I966 PolarHBondContact O-N 3.15Å; I966-W968 VanDerWaalsContact C-N 3.29Å; I966-W968 PolarHBondContact O-N 3.32Å; I966-A969 HydrophobicContact CD1-CB 4.38Å; I966-A969 WeakPolarHBondContact O-CB 3.21Å; I966-A969 PolarHBondContact O-N 2.73Å; I966-F970 HydrophobicContact CD1-CD2 4.33Å; I966-F970 HydrophobicContact CD1-CE2 4.2Å; I966-F970 HydrophobicContact CG1-CD2 3.96Å; I966-F970 HydrophobicContact CG1-CE2 4.03Å; I966-F970 PolarHBondContact O-N 3.03Å; I966-F1003 HydrophobicContact CD1-CZ 4.16Å; I966-F1003 HydrophobicContact CG1-CZ 4.36Å; I966-H1026 HydrophobicContact CG2-CB 4.15Å; I966-I1030 HydrophobicContact CB-CD1 4.34Å; I966-I1030 HydrophobicContact CG1-CD1 3.74Å; I966-I1030 HydrophobicContact CG2-CD1 3.77Å; I966-I1030 HydrophobicContact CG2-CG1 4.24Å |
| 967 | H | 87.4 | Confident | 87.2 | Confident | 29 Ų | 29 | 19.3 Ų | 19.3 | 13% | 0.134 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -56 | -43 | 175.9 | 174.7 | 76.7 | 0 | 0 | 0 | 112.4 | T965 F970 L971 E1029 N1033 | T965-H967 PolarHBondContact O-N 3.32Å; T965-H967 VanDerWaalsContact O-N 3.16Å; H967-F970 PolarHBondContact O-N 2.93Å; H967-L971 PolarHBondContact O-N 3.5Å; H967-E1029 HydrophobicContact CB-CB 3.93Å; H967-E1029 VanDerWaalsContact CB-OE2 3.26Å; H967-E1029 WeakPolarHBondContact CB-OE2 3.38Å; H967-E1029 PolarHBondContact CE1-O 3.16Å; H967-E1029 IonicContact CG-OE2 2.63Å; H967-E1029 PolarHBondContact ND1-O 3.45Å; H967-N1033 PolarHBondContact CE1-ND2 3.47Å; H967-N1033 VanDerWaalsContact CE1-ND2 3.33Å |
| 968 | W | 87.4 | Confident | 87.5 | Confident | 10 Ų | 10 | 16.3 Ų | 16.3 | 4% | 0.038 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -68.3 | -38.7 | 179.4 | -69.8 | 104.3 | 0 | 0 | 0 | 112.2 | Y850 L853 Q860 I863 Y864 T965 I966 F970 L971 I972 | Y850-W968 HydrophobicContact CD1-CB 3.8Å; Y850-W968 HydrophobicContact CD1-CG 4.26Å; Y850-W968 HydrophobicContact CD2-CB 3.64Å; Y850-W968 HydrophobicContact CE1-CB 4.2Å; Y850-W968 HydrophobicContact CE2-CB 4.04Å; Y850-W968 HydrophobicContact CG-CB 3.53Å; Y850-W968 HydrophobicContact CG-CG 4.02Å; L853-W968 HydrophobicContact CB-CH2 4.46Å; L853-W968 HydrophobicContact CB-CZ2 3.87Å; L853-W968 HydrophobicContact CD1-CD2 4.12Å; L853-W968 HydrophobicContact CD1-CE3 4.15Å; L853-W968 HydrophobicContact CD1-CZ2 4.46Å; L853-W968 HydrophobicContact CD1-CZ3 4.35Å; Q860-W968 HydrophobicContact CB-CH2 4.03Å; Q860-W968 HydrophobicContact CB-CZ2 4.47Å; Q860-W968 HydrophobicContact CG-CH2 3.84Å; Q860-W968 HydrophobicContact CG-CZ2 3.78Å; I863-W968 HydrophobicContact CB-CZ3 4.46Å; I863-W968 HydrophobicContact CG2-CE3 4.33Å; I863-W968 HydrophobicContact CG2-CZ3 3.98Å; Y864-W968 HydrophobicContact CE1-CZ3 4.35Å; Y864-W968 AromaticContact CE2-CH2 3.88Å; Y864-W968 HydrophobicContact CE2-CH2 3.88Å; Y864-W968 HydrophobicContact CE2-CZ3 4.35Å; Y864-W968 AromaticContact CZ-CH2 3.9Å; T965-W968 PolarHBondContact O-N 2.99Å; T965-W968 VanDerWaalsContact O-N 3.13Å; I966-W968 VanDerWaalsContact C-N 3.29Å; I966-W968 PolarHBondContact O-N 3.32Å; W968-F970 VanDerWaalsContact C-N 3.34Å; W968-F970 PolarHBondContact O-N 3.02Å; W968-L971 HydrophobicContact CE3-CD2 3.87Å; W968-L971 HydrophobicContact CZ3-CD2 3.84Å; W968-L971 WeakPolarHBondContact O-CB 3.43Å; W968-L971 PolarHBondContact O-N 2.65Å; W968-I972 PolarHBondContact O-N 2.97Å |
| 969 | A | 89.6 | Confident | 87.6 | Confident | 3 Ų | 3 | 17.6 Ų | 17.6 | 3% | 0.025 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -58.2 | -48.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y850 Y881 I966 L971 I972 I973 | Y850-A969 HydrophobicContact CE2-CB 4.44Å; Y881-A969 HydrophobicContact CE1-CB 3.58Å; Y881-A969 WeakPolarHBondContact OH-CB 3.31Å; I966-A969 HydrophobicContact CD1-CB 4.38Å; I966-A969 WeakPolarHBondContact O-CB 3.21Å; I966-A969 PolarHBondContact O-N 2.73Å; A969-L971 VanDerWaalsContact C-N 3.34Å; A969-L971 PolarHBondContact O-N 2.98Å; A969-I972 PolarHBondContact O-N 3.26Å; A969-I973 VanDerWaalsContact O-CG1 3.25Å; A969-I973 WeakPolarHBondContact O-CG1 3.2Å; A969-I973 PolarHBondContact O-N 3.04Å |
| 970 | F | 91 | Very high | 87.6 | Confident | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -69.2 | -29.2 | 178.9 | -89.6 | -92.5 | 0 | 0 | 0 | 114 | L882 I966 H967 W968 I972 I973 V974 F1003 I1030 L1034 | L882-F970 HydrophobicContact CD2-CZ 4.34Å; I966-F970 HydrophobicContact CD1-CD2 4.33Å; I966-F970 HydrophobicContact CD1-CE2 4.2Å; I966-F970 HydrophobicContact CG1-CD2 3.96Å; I966-F970 HydrophobicContact CG1-CE2 4.03Å; I966-F970 PolarHBondContact O-N 3.03Å; H967-F970 PolarHBondContact O-N 2.93Å; W968-F970 VanDerWaalsContact C-N 3.34Å; W968-F970 PolarHBondContact O-N 3.02Å; F970-I972 VanDerWaalsContact C-N 3.31Å; F970-I972 PolarHBondContact O-N 3.26Å; F970-I973 HydrophobicContact CD2-CD1 4.45Å; F970-I973 HydrophobicContact CG-CD1 4.43Å; F970-I973 PolarHBondContact O-N 3.17Å; F970-V974 VanDerWaalsContact O-CB 3.28Å; F970-V974 WeakPolarHBondContact O-CB 3.43Å; F970-V974 WeakPolarHBondContact O-CG2 3.45Å; F970-V974 PolarHBondContact O-N 3.45Å; F970-F1003 HydrophobicContact CE2-CD1 4.13Å; F970-F1003 AromaticContact CE2-CE1 3.57Å; F970-F1003 HydrophobicContact CE2-CE1 3.57Å; F970-F1003 AromaticContact CE2-CZ 3.97Å; F970-F1003 HydrophobicContact CE2-CZ 3.97Å; F970-F1003 AromaticContact CZ-CD1 3.66Å; F970-F1003 HydrophobicContact CZ-CD1 3.66Å; F970-F1003 AromaticContact CZ-CE1 3.56Å; F970-F1003 HydrophobicContact CZ-CE1 3.56Å; F970-F1003 HydrophobicContact CZ-CG 4.48Å; F970-F1003 HydrophobicContact CZ-CZ 4.34Å; F970-I1030 HydrophobicContact CB-CB 4.31Å; F970-I1030 HydrophobicContact CB-CG1 4.02Å; F970-I1030 HydrophobicContact CB-CG2 3.59Å; F970-I1030 HydrophobicContact CD1-CG2 3.32Å; F970-I1030 HydrophobicContact CD2-CD1 3.47Å; F970-I1030 VanDerWaalsContact CD2-CD1 3.47Å; F970-I1030 HydrophobicContact CD2-CG1 3.82Å; F970-I1030 HydrophobicContact CD2-CG2 3.88Å; F970-I1030 HydrophobicContact CE1-CG2 3.9Å; F970-I1030 HydrophobicContact CE2-CD1 3.7Å; F970-I1030 HydrophobicContact CE2-CG1 4.5Å; F970-I1030 HydrophobicContact CE2-CG2 4.39Å; F970-I1030 HydrophobicContact CG-CB 4.24Å; F970-I1030 HydrophobicContact CG-CD1 4.05Å; F970-I1030 HydrophobicContact CG-CG1 3.96Å; F970-I1030 HydrophobicContact CG-CG2 3.29Å; F970-I1030 HydrophobicContact CZ-CD1 4.44Å; F970-I1030 HydrophobicContact CZ-CG2 4.39Å; F970-L1034 HydrophobicContact CD1-CD1 4.26Å; F970-L1034 HydrophobicContact CE1-CD1 4.18Å |
| 971 | L | 87.5 | Confident | 87.5 | Confident | 23 Ų | 23 | 16.6 Ų | 16.6 | 12% | 0.12 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -60.7 | -42.9 | 172.5 | -173.4 | 70.5 | 0 | 0 | 0 | 111.2 | Y864 L867 H967 W968 A969 R975 | Y864-L971 HydrophobicContact CD1-CD2 3.84Å; Y864-L971 HydrophobicContact CE1-CD1 4.2Å; Y864-L971 HydrophobicContact CE1-CD2 3.39Å; Y864-L971 HydrophobicContact CE1-CG 4.45Å; L867-L971 HydrophobicContact CD1-CD2 3.41Å; L867-L971 VanDerWaalsContact CD1-CD2 3.41Å; L867-L971 HydrophobicContact CD1-CG 3.8Å; H967-L971 PolarHBondContact O-N 3.5Å; W968-L971 HydrophobicContact CE3-CD2 3.87Å; W968-L971 HydrophobicContact CZ3-CD2 3.84Å; W968-L971 WeakPolarHBondContact O-CB 3.43Å; W968-L971 PolarHBondContact O-N 2.65Å; A969-L971 VanDerWaalsContact C-N 3.34Å; A969-L971 PolarHBondContact O-N 2.98Å; L971-R975 WeakPolarHBondContact O-CB 3.36Å; L971-R975 PolarHBondContact O-N 2.8Å |
| 972 | I | 88.9 | Confident | 87.3 | Confident | 4 Ų | 4 | 21.9 Ų | 21.9 | 2% | 0.021 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -68.3 | -46.2 | 175.8 | -69.1 | 162 | 0 | 0 | 0 | 111 | L819 Y850 L867 F872 I877 W968 A969 F970 V974 R975 S976 | L819-I972 HydrophobicContact CD1-CD1 4.46Å; L819-I972 HydrophobicContact CD1-CG2 4.36Å; L819-I972 HydrophobicContact CD2-CD1 4.5Å; L819-I972 HydrophobicContact CD2-CG2 4.07Å; Y850-I972 HydrophobicContact CE1-CD1 4.05Å; Y850-I972 WeakPolarHBondContact OH-CD1 3.47Å; L867-I972 HydrophobicContact CD1-CG1 4.31Å; L867-I972 HydrophobicContact CD2-CG1 3.8Å; F872-I972 HydrophobicContact CE2-CG2 4.16Å; F872-I972 HydrophobicContact CZ-CG2 4Å; I877-I972 HydrophobicContact CG2-CG2 4.17Å; W968-I972 PolarHBondContact O-N 2.97Å; A969-I972 PolarHBondContact O-N 3.26Å; F970-I972 VanDerWaalsContact C-N 3.31Å; F970-I972 PolarHBondContact O-N 3.26Å; I972-V974 PolarHBondContact O-N 3.32Å; I972-R975 PolarHBondContact O-N 3.42Å; I972-S976 WeakPolarHBondContact O-CB 3.45Å; I972-S976 PolarHBondContact O-N 2.91Å |
| 973 | I | 90.4 | Very high | 86.9 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -57.2 | -48.2 | 177.6 | -70.7 | 165.6 | 0 | 0 | 0 | 110.8 | Y881 L882 L885 A969 F970 S976 R977 F996 | Y881-I973 HydrophobicContact CD1-CD1 3.97Å; Y881-I973 HydrophobicContact CD1-CG1 4.42Å; Y881-I973 HydrophobicContact CG-CD1 4.17Å; Y881-I973 HydrophobicContact CG-CG1 4.13Å; L882-I973 HydrophobicContact CD1-CG2 4.15Å; L882-I973 HydrophobicContact CD2-CD1 3.99Å; L882-I973 HydrophobicContact CD2-CG2 4.46Å; L882-I973 HydrophobicContact CG-CD1 4.19Å; L882-I973 HydrophobicContact CG-CG2 4.26Å; L885-I973 HydrophobicContact CD1-CD1 4.09Å; A969-I973 VanDerWaalsContact O-CG1 3.25Å; A969-I973 WeakPolarHBondContact O-CG1 3.2Å; A969-I973 PolarHBondContact O-N 3.04Å; F970-I973 HydrophobicContact CD2-CD1 4.45Å; F970-I973 HydrophobicContact CG-CD1 4.43Å; F970-I973 PolarHBondContact O-N 3.17Å; I973-S976 PolarHBondContact O-N 3.26Å; I973-R977 PolarHBondContact O-N 3.03Å; I973-F996 HydrophobicContact CG2-CE2 3.88Å; I973-F996 HydrophobicContact CG2-CZ 4.48Å |
| 974 | V | 89.7 | Confident | 86.4 | Confident | 11 Ų | 11 | 29.4 Ų | 29.4 | 7% | 0.067 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66 | -43.1 | -179.9 | 170.3 | 0 | 0 | 0 | 0 | 111 | F970 I972 R977 H978 N1033 V1037 | F970-V974 VanDerWaalsContact O-CB 3.28Å; F970-V974 WeakPolarHBondContact O-CB 3.43Å; F970-V974 WeakPolarHBondContact O-CG2 3.45Å; F970-V974 PolarHBondContact O-N 3.45Å; I972-V974 PolarHBondContact O-N 3.32Å; V974-R977 PolarHBondContact O-N 3.12Å; V974-H978 WeakPolarHBondContact O-CB 3.37Å; V974-H978 PolarHBondContact O-N 3.31Å; V974-N1033 HydrophobicContact CG2-CB 4.19Å; V974-V1037 HydrophobicContact CB-CG2 4.45Å; V974-V1037 HydrophobicContact CG1-CG1 4.14Å; V974-V1037 HydrophobicContact CG1-CG2 4.16Å; V974-V1037 HydrophobicContact CG2-CG2 3.92Å |
| 975 | R | 87.6 | Confident | 85.7 | Confident | 55 Ų | 55 | 34.1 Ų | 34.1 | 21% | 0.208 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.5 | -42.4 | 177.5 | -178.8 | 56.5 | 174 | 159.5 | 2 | 111.9 | L867 F872 L971 I972 H978 L979 | L867-R975 PolarHBondContact O-NE 3.38Å; F872-R975 HydrophobicContact CD1-CG 3.8Å; F872-R975 HydrophobicContact CE1-CB 4.28Å; F872-R975 HydrophobicContact CE1-CG 3.78Å; L971-R975 WeakPolarHBondContact O-CB 3.36Å; L971-R975 PolarHBondContact O-N 2.8Å; I972-R975 PolarHBondContact O-N 3.42Å; R975-H978 WeakPolarHBondContact O-CB 3.47Å; R975-H978 PolarHBondContact O-N 2.71Å; R975-L979 PolarHBondContact O-N 2.93Å |
| 976 | S | 90.1 | Very high | 84.9 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.1 | -50 | 175 | -177.8 | 0 | 0 | 0 | 0 | 111.4 | Y874 Y875 I877 Y878 I972 I973 H978 L979 D980 | Y874-S976 WeakPolarHBondContact O-CB 3.47Å; Y874-S976 PolarHBondContact O-OG 3.41Å; Y875-S976 VanDerWaalsContact C-OG 3.25Å; Y875-S976 CarbonylContact O-C 3.52Å; Y875-S976 VanDerWaalsContact O-O 3.12Å; Y875-S976 PolarHBondContact O-OG 3.47Å; I877-S976 VanDerWaalsContact CG2-OG 3.28Å; I877-S976 WeakPolarHBondContact CG2-OG 3.26Å; I877-S976 PolarHBondContact N-OG 3.21Å; Y878-S976 PolarHBondContact N-OG 2.88Å; I972-S976 WeakPolarHBondContact O-CB 3.45Å; I972-S976 PolarHBondContact O-N 2.91Å; I973-S976 PolarHBondContact O-N 3.26Å; S976-H978 VanDerWaalsContact C-N 3.31Å; S976-H978 PolarHBondContact O-N 2.92Å; S976-L979 PolarHBondContact O-N 2.96Å; S976-D980 PolarHBondContact O-N 2.8Å |
| 977 | R | 88.8 | Confident | 84.1 | Confident | 10 Ų | 10 | 46.9 Ų | 46.9 | 4% | 0.038 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.2 | -36.6 | 176.5 | 178.7 | 57.3 | -169.8 | 152.2 | 2.1 | 112.9 | Y878 I973 V974 D980 A981 Q989 F996 V1037 | Y878-R977 HydrophobicContact CD1-CB 4.29Å; Y878-R977 HydrophobicContact CG-CB 4.49Å; I973-R977 PolarHBondContact O-N 3.03Å; V974-R977 PolarHBondContact O-N 3.12Å; R977-D980 IonicContact CZ-OD2 3.54Å; R977-D980 IonicContact NH1-OD2 3.71Å; R977-D980 PolarHBondContact NH1-OD2 3.27Å; R977-D980 PolarHBondContact O-N 2.79Å; R977-A981 WeakPolarHBondContact O-CB 3.49Å; R977-A981 PolarHBondContact O-N 3.49Å; R977-Q989 PolarHBondContact NH2-O 2.81Å; R977-F996 HydrophobicContact CB-CE2 4.3Å; R977-F996 HydrophobicContact CG-CD1 4.39Å; R977-F996 HydrophobicContact CG-CD2 4.3Å; R977-F996 HydrophobicContact CG-CE1 4.45Å; R977-F996 HydrophobicContact CG-CE2 4.36Å; R977-F996 HydrophobicContact CG-CG 4.31Å; R977-F996 HydrophobicContact CG-CZ 4.44Å; R977-V1037 HydrophobicContact CG-CB 4.26Å; R977-V1037 HydrophobicContact CG-CG1 4.17Å |
| 978 | H | 84 | Confident | 83.5 | Confident | 81 Ų | 81 | 52 Ų | 52 | 38% | 0.375 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.3 | -40.5 | 176.5 | -169.1 | 75.2 | 0 | 0 | 0 | 112 | V974 R975 S976 M982 | V974-H978 WeakPolarHBondContact O-CB 3.37Å; V974-H978 PolarHBondContact O-N 3.31Å; R975-H978 WeakPolarHBondContact O-CB 3.47Å; R975-H978 PolarHBondContact O-N 2.71Å; S976-H978 VanDerWaalsContact C-N 3.31Å; S976-H978 PolarHBondContact O-N 2.92Å; H978-M982 WeakPolarHBondContact NE2-CE 3.35Å; H978-M982 WeakPolarHBondContact O-CG 3.35Å; H978-M982 PolarHBondContact O-N 3.09Å |
| 979 | L | 84 | Confident | 83.1 | Confident | 29 Ų | 29 | 54.3 Ų | 54.3 | 15% | 0.152 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.2 | -38.3 | 174.5 | -69.5 | 176.6 | 0 | 0 | 0 | 112.5 | F872 R975 S976 M982 Q983 | F872-L979 HydrophobicContact CD1-CD1 3.62Å; F872-L979 HydrophobicContact CE1-CD1 3.96Å; F872-L979 WeakPolarHBondContact O-CD1 3.34Å; R975-L979 PolarHBondContact O-N 2.93Å; S976-L979 PolarHBondContact O-N 2.96Å; L979-M982 PolarHBondContact O-N 3.23Å; L979-Q983 PolarHBondContact O-N 3.24Å |
| 980 | D | 85.7 | Confident | 82.5 | Confident | 4 Ų | 4 | 61.5 Ų | 61.5 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.3 | -41.8 | 175.9 | -170.9 | 52 | 0 | 0 | 0 | 111.9 | Y875 Y878 S976 R977 M982 Q983 L984 | Y875-D980 WeakPolarHBondContact O-CB 3.34Å; Y878-D980 HydrophobicContact CE1-CB 4.1Å; Y878-D980 PolarHBondContact OH-OD2 3.18Å; S976-D980 PolarHBondContact O-N 2.8Å; R977-D980 IonicContact CZ-OD2 3.54Å; R977-D980 IonicContact NH1-OD2 3.71Å; R977-D980 PolarHBondContact NH1-OD2 3.27Å; R977-D980 PolarHBondContact O-N 2.79Å; D980-M982 PolarHBondContact O-N 3.46Å; D980-Q983 PolarHBondContact O-N 2.83Å; D980-Q983 VanDerWaalsContact O-N 3.11Å; D980-L984 WeakPolarHBondContact O-CG 3.27Å; D980-L984 PolarHBondContact O-N 3.48Å; D980-L984 VanDerWaalsContact O-N 3.16Å; D980-L984 WeakPolarHBondContact OD2-CD1 3.12Å |
| 981 | A | 82.5 | Confident | 82 | Confident | 29 Ų | 29 | 66.3 Ų | 66.3 | 24% | 0.24 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.1 | -29.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | R977 | R977-A981 WeakPolarHBondContact O-CB 3.49Å; R977-A981 PolarHBondContact O-N 3.49Å |
| 982 | M | 80.3 | Confident | 81.7 | Confident | 130 Ų | 130 | 65.9 Ų | 65.9 | 64% | 0.64 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -76.6 | -20.4 | 175.1 | -73.3 | 174.1 | 162.5 | 0 | 0 | 113.5 | H978 L979 D980 | H978-M982 WeakPolarHBondContact NE2-CE 3.35Å; H978-M982 WeakPolarHBondContact O-CG 3.35Å; H978-M982 PolarHBondContact O-N 3.09Å; L979-M982 PolarHBondContact O-N 3.23Å; D980-M982 PolarHBondContact O-N 3.46Å |
| 983 | Q | 79.3 | Confident | 81.5 | Confident | 115 Ų | 115 | 69.3 Ų | 69.3 | 54% | 0.537 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -98 | -24.5 | -176.9 | -72.6 | -174.1 | 2.4 | 0 | 0 | 114.3 | Y875 L979 D980 | Y875-Q983 VanDerWaalsContact CD2-OE1 3.25Å; Y875-Q983 VanDerWaalsContact CE2-OE1 3.29Å; L979-Q983 PolarHBondContact O-N 3.24Å; D980-Q983 PolarHBondContact O-N 2.83Å; D980-Q983 VanDerWaalsContact O-N 3.11Å |
| 984 | L | 78 | Confident | 81.2 | Confident | 49 Ų | 49 | 72.6 Ų | 72.6 | 26% | 0.257 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -89.3 | 141.2 | -173.8 | -69 | 169.8 | 0 | 0 | 0 | 112.7 | D980 Q989 A992 | D980-L984 WeakPolarHBondContact O-CG 3.27Å; D980-L984 PolarHBondContact O-N 3.48Å; D980-L984 VanDerWaalsContact O-N 3.16Å; D980-L984 WeakPolarHBondContact OD2-CD1 3.12Å; L984-Q989 HydrophobicContact CB-CB 4.29Å; L984-A992 HydrophobicContact CD1-CB 3.64Å |
| 985 | N | 71.1 | Confident | 80.9 | Confident | 127 Ų | 127 | 77.4 Ų | 77.4 | 68% | 0.679 | 38% | 0.379 | S | S | * | . | trans | -70.3 | 152.8 | 168.2 | -69.4 | -10.9 | 0 | 0 | 0 | 111.3 | K987 Y988 Q989 | N985-K987 PolarHBondContact O-N 2.73Å; N985-Y988 PolarHBondContact O-N 3.08Å; N985-Q989 PolarHBondContact O-N 3.09Å | ||
| 986 | D | 70.6 | Confident | 81 | Confident | 128 Ų | 128 | 74.8 Ų | 74.8 | 68% | 0.684 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -41.7 | -37.5 | -174.4 | -74.5 | -12.3 | 0 | 0 | 0 | 115.8 | ||
| 987 | K | 72.8 | Confident | 80.9 | Confident | 147 Ų | 147 | 75.8 Ų | 75.8 | 64% | 0.639 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -69.4 | -51.9 | -179.8 | -172.1 | -178.2 | 177.3 | -174.3 | 0 | 112.4 | N985 Q989 K990 | N985-K987 PolarHBondContact O-N 2.73Å; K987-Q989 VanDerWaalsContact C-N 3.29Å; K987-K990 PolarHBondContact O-N 3.03Å |
| 988 | Y | 75.5 | Confident | 80.9 | Confident | 137 Ų | 137 | 80.9 Ų | 80.9 | 54% | 0.537 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -73.3 | -26.9 | -179.8 | -66.4 | -71.9 | 0 | 0 | 0 | 111.6 | N985 K990 E991 A992 | N985-Y988 PolarHBondContact O-N 3.08Å; Y988-K990 VanDerWaalsContact C-N 3.3Å; Y988-K990 PolarHBondContact O-N 2.85Å; Y988-E991 PolarHBondContact O-N 3.4Å; Y988-A992 WeakPolarHBondContact O-CB 3.49Å; Y988-A992 PolarHBondContact O-N 3.29Å |
| 989 | Q | 77.7 | Confident | 81.1 | Confident | 59 Ų | 59 | 79.1 Ų | 79.1 | 28% | 0.276 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -58.8 | -41.6 | 174.9 | -170.5 | 176.7 | 5.9 | 0 | 0 | 111.8 | R977 L984 N985 K987 E993 | R977-Q989 PolarHBondContact NH2-O 2.81Å; L984-Q989 HydrophobicContact CB-CB 4.29Å; N985-Q989 PolarHBondContact O-N 3.09Å; K987-Q989 VanDerWaalsContact C-N 3.29Å; Q989-E993 WeakPolarHBondContact O-CB 3.22Å; Q989-E993 PolarHBondContact O-N 3.3Å |
| 990 | K | 77.9 | Confident | 81.5 | Confident | 153 Ų | 153 | 77.8 Ų | 77.8 | 67% | 0.665 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -67.1 | -39.2 | 177.1 | -71.9 | -178.7 | -178.7 | 178.6 | 0 | 113.3 | K987 Y988 E993 S994 | K987-K990 PolarHBondContact O-N 3.03Å; Y988-K990 VanDerWaalsContact C-N 3.3Å; Y988-K990 PolarHBondContact O-N 2.85Å; K990-E993 PolarHBondContact O-N 3.22Å; K990-S994 PolarHBondContact O-N 2.6Å |
| 991 | E | 80.2 | Confident | 81.7 | Confident | 102 Ų | 102 | 80.7 Ų | 80.7 | 48% | 0.477 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -68.5 | -43.8 | 175.7 | -71 | 176.7 | -176.3 | 0 | 0 | 111.4 | Y988 E993 S994 L995 | Y988-E991 PolarHBondContact O-N 3.4Å; E991-E993 VanDerWaalsContact C-N 3.3Å; E991-E993 PolarHBondContact O-N 3.25Å; E991-S994 PolarHBondContact O-N 2.91Å; E991-S994 PolarHBondContact O-OG 3.04Å; E991-L995 WeakPolarHBondContact O-CG 3.42Å; E991-L995 PolarHBondContact O-N 2.84Å; E991-L995 VanDerWaalsContact O-N 3.09Å |
| 992 | A | 80.8 | Confident | 82 | Confident | 13 Ų | 13 | 81.7 Ų | 81.7 | 11% | 0.107 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -65.3 | -35.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L984 Y988 F996 | L984-A992 HydrophobicContact CD1-CB 3.64Å; Y988-A992 WeakPolarHBondContact O-CB 3.49Å; Y988-A992 PolarHBondContact O-N 3.29Å; A992-F996 WeakPolarHBondContact O-CB 3.25Å; A992-F996 PolarHBondContact O-N 2.94Å |
| 993 | E | 84.1 | Confident | 82.5 | Confident | 77 Ų | 77 | 75.5 Ų | 75.5 | 36% | 0.36 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.5 | -45.6 | 174.3 | -171.5 | -178.6 | 171.7 | 0 | 0 | 111.7 | Q989 K990 E991 L995 F996 I997 | Q989-E993 WeakPolarHBondContact O-CB 3.22Å; Q989-E993 PolarHBondContact O-N 3.3Å; K990-E993 PolarHBondContact O-N 3.22Å; E991-E993 VanDerWaalsContact C-N 3.3Å; E991-E993 PolarHBondContact O-N 3.25Å; E993-L995 PolarHBondContact O-N 2.9Å; E993-F996 PolarHBondContact O-N 3.27Å; E993-I997 HydrophobicContact CG-CD1 3.83Å; E993-I997 HydrophobicContact CG-CG1 4.43Å; E993-I997 WeakPolarHBondContact O-CB 3.12Å; E993-I997 VanDerWaalsContact O-CG1 3.25Å; E993-I997 WeakPolarHBondContact O-CG1 3.36Å; E993-I997 PolarHBondContact O-N 3.22Å |
| 994 | S | 84.2 | Confident | 83 | Confident | 69 Ų | 69 | 70.5 Ų | 70.5 | 48% | 0.483 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.7 | -39.8 | 179.5 | 70.7 | 0 | 0 | 0 | 0 | 112.2 | K990 E991 I997 H998 | K990-S994 PolarHBondContact O-N 2.6Å; E991-S994 PolarHBondContact O-N 2.91Å; E991-S994 PolarHBondContact O-OG 3.04Å; S994-I997 PolarHBondContact O-N 3.3Å; S994-H998 WeakPolarHBondContact O-CB 3.39Å; S994-H998 PolarHBondContact O-N 2.88Å |
| 995 | L | 84.9 | Confident | 83.5 | Confident | 111 Ų | 111 | 71.3 Ų | 71.3 | 58% | 0.581 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -63.5 | -44.9 | 173.4 | -74.9 | 173.9 | 0 | 0 | 0 | 112.2 | E991 E993 H998 Q999 | E991-L995 WeakPolarHBondContact O-CG 3.42Å; E991-L995 PolarHBondContact O-N 2.84Å; E991-L995 VanDerWaalsContact O-N 3.09Å; E993-L995 PolarHBondContact O-N 2.9Å; L995-H998 PolarHBondContact O-N 3.35Å; L995-Q999 WeakPolarHBondContact O-CG 3.2Å; L995-Q999 PolarHBondContact O-N 3.34Å |
| 996 | F | 89.3 | Confident | 84.3 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.7 | -47.7 | 176.2 | 175.4 | -103.3 | 0 | 0 | 0 | 111.5 | Y878 L882 I973 R977 A992 E993 H998 Q999 V1000 L1034 V1037 | Y878-F996 AromaticContact CD2-CD2 3.57Å; Y878-F996 HydrophobicContact CD2-CD2 3.57Å; Y878-F996 HydrophobicContact CD2-CE2 4.24Å; Y878-F996 HydrophobicContact CE2-CB 4.02Å; Y878-F996 AromaticContact CE2-CD2 3.78Å; Y878-F996 HydrophobicContact CE2-CD2 3.78Å; Y878-F996 HydrophobicContact CE2-CG 4.36Å; Y878-F996 HydrophobicContact CG-CD2 4.38Å; L882-F996 HydrophobicContact CD1-CD2 3.91Å; L882-F996 HydrophobicContact CD1-CE2 3.86Å; I973-F996 HydrophobicContact CG2-CE2 3.88Å; I973-F996 HydrophobicContact CG2-CZ 4.48Å; R977-F996 HydrophobicContact CB-CE2 4.3Å; R977-F996 HydrophobicContact CG-CD1 4.39Å; R977-F996 HydrophobicContact CG-CD2 4.3Å; R977-F996 HydrophobicContact CG-CE1 4.45Å; R977-F996 HydrophobicContact CG-CE2 4.36Å; R977-F996 HydrophobicContact CG-CG 4.31Å; R977-F996 HydrophobicContact CG-CZ 4.44Å; A992-F996 WeakPolarHBondContact O-CB 3.25Å; A992-F996 PolarHBondContact O-N 2.94Å; E993-F996 PolarHBondContact O-N 3.27Å; F996-H998 VanDerWaalsContact C-N 3.31Å; F996-H998 PolarHBondContact O-N 3.17Å; F996-Q999 PolarHBondContact O-N 2.85Å; F996-V1000 HydrophobicContact CD1-CG2 4.4Å; F996-V1000 HydrophobicContact CD2-CG2 4.23Å; F996-V1000 HydrophobicContact CE1-CG2 4Å; F996-V1000 HydrophobicContact CE2-CG2 3.83Å; F996-V1000 HydrophobicContact CZ-CG2 3.7Å; F996-V1000 WeakPolarHBondContact O-CG2 3.35Å; F996-V1000 PolarHBondContact O-N 3.22Å; F996-L1034 HydrophobicContact CZ-CD1 4.38Å; F996-V1037 HydrophobicContact CE1-CB 4.16Å; F996-V1037 HydrophobicContact CE1-CG2 3.75Å; F996-V1037 HydrophobicContact CZ-CG2 3.74Å |
| 997 | I | 88.2 | Confident | 85.1 | Confident | 21 Ų | 21 | 59.6 Ų | 59.6 | 11% | 0.108 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.5 | -45 | 177.8 | -71.2 | 169.4 | 0 | 0 | 0 | 110.4 | E993 S994 V1000 E1001 Y1038 P1039 | E993-I997 HydrophobicContact CG-CD1 3.83Å; E993-I997 HydrophobicContact CG-CG1 4.43Å; E993-I997 WeakPolarHBondContact O-CB 3.12Å; E993-I997 VanDerWaalsContact O-CG1 3.25Å; E993-I997 WeakPolarHBondContact O-CG1 3.36Å; E993-I997 PolarHBondContact O-N 3.22Å; S994-I997 PolarHBondContact O-N 3.3Å; I997-V1000 PolarHBondContact O-N 2.98Å; I997-E1001 HydrophobicContact CG2-CG 4.34Å; I997-E1001 WeakPolarHBondContact CG2-OE1 3.48Å; I997-E1001 WeakPolarHBondContact O-CB 3.35Å; I997-E1001 VanDerWaalsContact O-CG 3.31Å; I997-E1001 WeakPolarHBondContact O-CG 3.21Å; I997-E1001 PolarHBondContact O-N 3.03Å; I997-Y1038 HydrophobicContact CB-CE2 4.41Å; I997-Y1038 HydrophobicContact CG1-CD2 4.3Å; I997-Y1038 HydrophobicContact CG1-CE2 4.35Å; I997-Y1038 HydrophobicContact CG2-CE2 4.02Å; I997-P1039 HydrophobicContact CD1-CG 3.86Å; I997-P1039 HydrophobicContact CG1-CG 4.43Å |
| 998 | H | 88.8 | Confident | 85.7 | Confident | 117 Ų | 117 | 53.3 Ų | 53.3 | 54% | 0.542 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.4 | -43.9 | 179.6 | -175.9 | 61 | 0 | 0 | 0 | 112.7 | S994 L995 F996 E1001 S1002 | S994-H998 WeakPolarHBondContact O-CB 3.39Å; S994-H998 PolarHBondContact O-N 2.88Å; L995-H998 PolarHBondContact O-N 3.35Å; F996-H998 VanDerWaalsContact C-N 3.31Å; F996-H998 PolarHBondContact O-N 3.17Å; H998-E1001 PolarHBondContact O-N 3.3Å; H998-S1002 PolarHBondContact O-N 3.32Å |
| 999 | Q | 88.5 | Confident | 86.1 | Confident | 45 Ų | 45 | 49 Ų | 49 | 21% | 0.21 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.8 | -39.4 | 177.9 | -71.5 | -69.5 | -21 | 0 | 0 | 112.3 | L882 N886 L995 F996 S1002 F1003 | L882-Q999 HydrophobicContact CB-CB 4.14Å; L882-Q999 HydrophobicContact CD1-CB 4.04Å; N886-Q999 PolarHBondContact ND2-O 2.94Å; N886-Q999 PolarHBondContact ND2-OE1 2.78Å; L995-Q999 WeakPolarHBondContact O-CG 3.2Å; L995-Q999 PolarHBondContact O-N 3.34Å; F996-Q999 PolarHBondContact O-N 2.85Å; Q999-S1002 PolarHBondContact O-N 3Å; Q999-F1003 PolarHBondContact O-N 3.47Å; Q999-F1003 VanDerWaalsContact O-N 3.07Å |
| 1000 | V | 90.8 | Very high | 86.4 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.5 | -42.2 | 174.7 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | L882 F996 I997 S1002 F1003 L1004 L1034 Y1038 | L882-V1000 HydrophobicContact CD1-CG2 3.94Å; L882-V1000 HydrophobicContact CD2-CG2 4.35Å; F996-V1000 HydrophobicContact CD1-CG2 4.4Å; F996-V1000 HydrophobicContact CD2-CG2 4.23Å; F996-V1000 HydrophobicContact CE1-CG2 4Å; F996-V1000 HydrophobicContact CE2-CG2 3.83Å; F996-V1000 HydrophobicContact CZ-CG2 3.7Å; F996-V1000 WeakPolarHBondContact O-CG2 3.35Å; F996-V1000 PolarHBondContact O-N 3.22Å; I997-V1000 PolarHBondContact O-N 2.98Å; V1000-S1002 VanDerWaalsContact C-N 3.33Å; V1000-S1002 PolarHBondContact O-N 3.46Å; V1000-F1003 PolarHBondContact O-N 2.93Å; V1000-L1004 HydrophobicContact CG1-CD1 3.84Å; V1000-L1004 HydrophobicContact CG1-CG 4.09Å; V1000-L1004 WeakPolarHBondContact O-CB 3.48Å; V1000-L1004 VanDerWaalsContact O-CG 3.25Å; V1000-L1004 WeakPolarHBondContact O-CG 3.38Å; V1000-L1004 PolarHBondContact O-N 3.2Å; V1000-L1034 HydrophobicContact CG1-CD1 4.31Å; V1000-L1034 HydrophobicContact CG1-CD2 4.27Å; V1000-Y1038 HydrophobicContact CB-CD2 4.19Å; V1000-Y1038 HydrophobicContact CB-CE2 4.14Å; V1000-Y1038 HydrophobicContact CG1-CD2 3.83Å; V1000-Y1038 HydrophobicContact CG1-CE2 3.82Å |
| 1001 | E | 90.1 | Very high | 86.5 | Confident | 65 Ų | 65 | 39.4 Ų | 39.4 | 30% | 0.304 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.7 | -41.6 | 175.4 | -78.7 | 175.4 | -179.8 | 0 | 0 | 111.9 | I997 H998 F1003 L1004 S1005 Y1038 K1042 | I997-E1001 HydrophobicContact CG2-CG 4.34Å; I997-E1001 WeakPolarHBondContact CG2-OE1 3.48Å; I997-E1001 WeakPolarHBondContact O-CB 3.35Å; I997-E1001 VanDerWaalsContact O-CG 3.31Å; I997-E1001 WeakPolarHBondContact O-CG 3.21Å; I997-E1001 PolarHBondContact O-N 3.03Å; H998-E1001 PolarHBondContact O-N 3.3Å; E1001-F1003 VanDerWaalsContact C-N 3.34Å; E1001-F1003 PolarHBondContact O-N 3.09Å; E1001-L1004 PolarHBondContact O-N 3.45Å; E1001-S1005 VanDerWaalsContact O-CB 3.26Å; E1001-S1005 WeakPolarHBondContact O-CB 3.5Å; E1001-S1005 PolarHBondContact O-N 3.4Å; E1001-Y1038 HydrophobicContact CG-CE2 4.38Å; E1001-Y1038 VanDerWaalsContact CG-OH 3.31Å; E1001-Y1038 WeakPolarHBondContact CG-OH 3.17Å; E1001-Y1038 PolarHBondContact OE1-OH 3.32Å; E1001-K1042 VanDerWaalsContact OE1-CD 3.32Å; E1001-K1042 WeakPolarHBondContact OE1-CD 3.24Å; E1001-K1042 WeakPolarHBondContact OE1-CE 3.4Å; E1001-K1042 IonicContact OE1-NZ 3.57Å; E1001-K1042 PolarHBondContact OE1-NZ 3.11Å |
| 1002 | S | 88.7 | Confident | 86.5 | Confident | 50 Ų | 50 | 37.6 Ų | 37.6 | 35% | 0.35 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60 | -43.4 | 173.4 | -174.7 | 0 | 0 | 0 | 0 | 111.8 | H998 Q999 V1000 G1006 | H998-S1002 PolarHBondContact O-N 3.32Å; Q999-S1002 PolarHBondContact O-N 3Å; V1000-S1002 VanDerWaalsContact C-N 3.33Å; V1000-S1002 PolarHBondContact O-N 3.46Å; S1002-G1006 PolarHBondContact O-N 3.47Å |
| 1003 | F | 91.7 | Very high | 86.4 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65 | -49.6 | 179.1 | 175.1 | -103 | 0 | 0 | 0 | 111.3 | L885 N886 V889 F963 I966 F970 Q999 V1000 E1001 G1006 V1007 | L885-F1003 HydrophobicContact CB-CD2 3.92Å; L885-F1003 HydrophobicContact CB-CE2 4.02Å; L885-F1003 HydrophobicContact CD1-CE2 4.41Å; N886-F1003 WeakPolarHBondContact OD1-CA 3.37Å; N886-F1003 WeakPolarHBondContact OD1-CB 3.26Å; N886-F1003 PolarHBondContact OD1-N 2.95Å; V889-F1003 HydrophobicContact CG2-CD2 4.18Å; V889-F1003 HydrophobicContact CG2-CE2 4.07Å; F963-F1003 HydrophobicContact CE1-CZ 4.49Å; I966-F1003 HydrophobicContact CD1-CZ 4.16Å; I966-F1003 HydrophobicContact CG1-CZ 4.36Å; F970-F1003 HydrophobicContact CE2-CD1 4.13Å; F970-F1003 AromaticContact CE2-CE1 3.57Å; F970-F1003 HydrophobicContact CE2-CE1 3.57Å; F970-F1003 AromaticContact CE2-CZ 3.97Å; F970-F1003 HydrophobicContact CE2-CZ 3.97Å; F970-F1003 AromaticContact CZ-CD1 3.66Å; F970-F1003 HydrophobicContact CZ-CD1 3.66Å; F970-F1003 AromaticContact CZ-CE1 3.56Å; F970-F1003 HydrophobicContact CZ-CE1 3.56Å; F970-F1003 HydrophobicContact CZ-CG 4.48Å; F970-F1003 HydrophobicContact CZ-CZ 4.34Å; Q999-F1003 PolarHBondContact O-N 3.47Å; Q999-F1003 VanDerWaalsContact O-N 3.07Å; V1000-F1003 PolarHBondContact O-N 2.93Å; E1001-F1003 VanDerWaalsContact C-N 3.34Å; E1001-F1003 PolarHBondContact O-N 3.09Å; F1003-G1006 PolarHBondContact O-N 3.38Å; F1003-V1007 HydrophobicContact CD1-CG2 4.29Å; F1003-V1007 HydrophobicContact CD2-CG2 4.44Å; F1003-V1007 HydrophobicContact CE1-CG2 3.85Å; F1003-V1007 HydrophobicContact CE2-CG2 4.02Å; F1003-V1007 HydrophobicContact CZ-CG2 3.7Å; F1003-V1007 WeakPolarHBondContact O-CG2 2.97Å; F1003-V1007 PolarHBondContact O-N 3.11Å |
| 1004 | L | 89.6 | Confident | 86.1 | Confident | 10 Ų | 10 | 40.1 Ų | 40.1 | 5% | 0.052 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.5 | -46.2 | -179.4 | -68.9 | -176.9 | 0 | 0 | 0 | 111.2 | V1000 E1001 G1006 V1007 I1008 L1043 F1046 | V1000-L1004 HydrophobicContact CG1-CD1 3.84Å; V1000-L1004 HydrophobicContact CG1-CG 4.09Å; V1000-L1004 WeakPolarHBondContact O-CB 3.48Å; V1000-L1004 VanDerWaalsContact O-CG 3.25Å; V1000-L1004 WeakPolarHBondContact O-CG 3.38Å; V1000-L1004 PolarHBondContact O-N 3.2Å; E1001-L1004 PolarHBondContact O-N 3.45Å; L1004-G1006 VanDerWaalsContact C-N 3.3Å; L1004-G1006 PolarHBondContact O-N 3.44Å; L1004-V1007 PolarHBondContact O-N 3.34Å; L1004-I1008 PolarHBondContact O-N 2.93Å; L1004-I1008 VanDerWaalsContact O-N 3.08Å; L1004-L1043 HydrophobicContact CD1-CD1 4.42Å; L1004-F1046 HydrophobicContact CB-CD2 3.59Å; L1004-F1046 HydrophobicContact CB-CE2 3.52Å; L1004-F1046 HydrophobicContact CB-CG 4.17Å; L1004-F1046 HydrophobicContact CB-CZ 4.06Å; L1004-F1046 HydrophobicContact CD1-CB 4.39Å; L1004-F1046 HydrophobicContact CD1-CD1 4.13Å; L1004-F1046 HydrophobicContact CD1-CD2 4.26Å; L1004-F1046 HydrophobicContact CD1-CG 3.97Å; L1004-F1046 HydrophobicContact CD2-CD1 4.07Å; L1004-F1046 HydrophobicContact CD2-CD2 4.43Å; L1004-F1046 HydrophobicContact CD2-CE1 3.66Å; L1004-F1046 HydrophobicContact CD2-CE2 4.03Å; L1004-F1046 HydrophobicContact CD2-CG 4.44Å; L1004-F1046 HydrophobicContact CD2-CZ 3.63Å; L1004-F1046 HydrophobicContact CG-CD1 4.5Å; L1004-F1046 HydrophobicContact CG-CD2 4.29Å; L1004-F1046 HydrophobicContact CG-CE1 4.47Å; L1004-F1046 HydrophobicContact CG-CE2 4.23Å; L1004-F1046 HydrophobicContact CG-CG 4.41Å; L1004-F1046 HydrophobicContact CG-CZ 4.32Å; L1004-F1046 VanDerWaalsContact O-CE2 3.24Å; L1004-F1046 WeakPolarHBondContact O-CE2 3.44Å |
| 1005 | S | 87.4 | Confident | 85.6 | Confident | 67 Ų | 67 | 45.5 Ų | 45.5 | 47% | 0.469 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -58.8 | -43.8 | 174.4 | -170.8 | 0 | 0 | 0 | 0 | 111.5 | E1001 V1007 I1008 D1009 | E1001-S1005 VanDerWaalsContact O-CB 3.26Å; E1001-S1005 WeakPolarHBondContact O-CB 3.5Å; E1001-S1005 PolarHBondContact O-N 3.4Å; S1005-V1007 PolarHBondContact O-N 3.07Å; S1005-I1008 WeakPolarHBondContact O-CB 3.06Å; S1005-I1008 PolarHBondContact O-N 3.39Å; S1005-D1009 PolarHBondContact O-N 2.99Å |
| 1006 | G | 88 | Confident | 85.3 | Confident | 9 Ų | 9 | 42.6 Ų | 42.6 | 9% | 0.093 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.2 | -38.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | V889 S1002 F1003 L1004 I1008 D1009 V1010 | V889-G1006 WeakPolarHBondContact CG1-O 3.23Å; S1002-G1006 PolarHBondContact O-N 3.47Å; F1003-G1006 PolarHBondContact O-N 3.38Å; L1004-G1006 VanDerWaalsContact C-N 3.3Å; L1004-G1006 PolarHBondContact O-N 3.44Å; G1006-I1008 VanDerWaalsContact C-N 3.3Å; G1006-I1008 PolarHBondContact O-N 2.99Å; G1006-D1009 PolarHBondContact O-N 2.85Å; G1006-D1009 VanDerWaalsContact O-N 3.16Å; G1006-V1010 VanDerWaalsContact O-CG2 3.3Å; G1006-V1010 WeakPolarHBondContact O-CG2 3.36Å; G1006-V1010 PolarHBondContact O-N 3.39Å |
| 1007 | V | 88.1 | Confident | 84.9 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.4 | -40 | 173.8 | 170 | 0 | 0 | 0 | 0 | 111.1 | F963 F1003 L1004 S1005 V1010 T1011 I1023 V1027 | F963-V1007 HydrophobicContact CE1-CG2 4.16Å; F1003-V1007 HydrophobicContact CD1-CG2 4.29Å; F1003-V1007 HydrophobicContact CD2-CG2 4.44Å; F1003-V1007 HydrophobicContact CE1-CG2 3.85Å; F1003-V1007 HydrophobicContact CE2-CG2 4.02Å; F1003-V1007 HydrophobicContact CZ-CG2 3.7Å; F1003-V1007 WeakPolarHBondContact O-CG2 2.97Å; F1003-V1007 PolarHBondContact O-N 3.11Å; L1004-V1007 PolarHBondContact O-N 3.34Å; S1005-V1007 PolarHBondContact O-N 3.07Å; V1007-V1010 PolarHBondContact O-N 3.09Å; V1007-T1011 WeakPolarHBondContact O-CG2 3.47Å; V1007-T1011 PolarHBondContact O-N 3.34Å; V1007-T1011 PolarHBondContact O-OG1 3.38Å; V1007-I1023 HydrophobicContact CG1-CG2 3.71Å; V1007-V1027 HydrophobicContact CG1-CG2 4.48Å |
| 1008 | I | 84.6 | Confident | 84.4 | Confident | 14 Ų | 14 | 48.7 Ų | 48.7 | 7% | 0.072 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.8 | -47.3 | 173 | -71.7 | 161.9 | 0 | 0 | 0 | 110.2 | L1004 S1005 G1006 V1010 T1011 C1012 F1046 Q1049 | L1004-I1008 PolarHBondContact O-N 2.93Å; L1004-I1008 VanDerWaalsContact O-N 3.08Å; S1005-I1008 WeakPolarHBondContact O-CB 3.06Å; S1005-I1008 PolarHBondContact O-N 3.39Å; G1006-I1008 VanDerWaalsContact C-N 3.3Å; G1006-I1008 PolarHBondContact O-N 2.99Å; I1008-V1010 VanDerWaalsContact C-N 3.31Å; I1008-V1010 PolarHBondContact O-N 3.26Å; I1008-T1011 WeakPolarHBondContact CA-OG1 3.3Å; I1008-T1011 PolarHBondContact O-N 3.21Å; I1008-T1011 VanDerWaalsContact O-N 3.1Å; I1008-T1011 PolarHBondContact O-OG1 2.97Å; I1008-C1012 PolarHBondContact O-N 3.48Å; I1008-C1012 PolarHBondContact O-SG 3.09Å; I1008-F1046 HydrophobicContact CD1-CD2 3.48Å; I1008-F1046 VanDerWaalsContact CD1-CD2 3.48Å; I1008-F1046 HydrophobicContact CD1-CE2 3.39Å; I1008-F1046 HydrophobicContact CG1-CD2 4.24Å; I1008-F1046 HydrophobicContact CG1-CE2 3.63Å; I1008-F1046 HydrophobicContact CG1-CZ 4.47Å; I1008-Q1049 HydrophobicContact CD1-CB 3.92Å; I1008-Q1049 VanDerWaalsContact CD1-OE1 3.29Å |
| 1009 | D | 83.9 | Confident | 84.1 | Confident | 46 Ų | 46 | 43.4 Ų | 43.4 | 25% | 0.246 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.5 | -39.4 | 178.4 | -73.7 | -30.8 | 0 | 0 | 0 | 112.4 | V893 S1005 G1006 C1012 R1013 | V893-D1009 HydrophobicContact CB-CB 4.49Å; V893-D1009 HydrophobicContact CG1-CB 3.79Å; V893-D1009 HydrophobicContact CG2-CB 3.78Å; S1005-D1009 PolarHBondContact O-N 2.99Å; G1006-D1009 PolarHBondContact O-N 2.85Å; G1006-D1009 VanDerWaalsContact O-N 3.16Å; D1009-C1012 PolarHBondContact O-N 2.79Å; D1009-R1013 WeakPolarHBondContact O-CB 3.5Å; D1009-R1013 WeakPolarHBondContact O-CG 3.42Å; D1009-R1013 PolarHBondContact O-N 2.9Å |
| 1010 | V | 84.1 | Confident | 83.8 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.2 | -47.5 | 173 | 172 | 0 | 0 | 0 | 0 | 110.2 | V889 I892 V893 G1006 V1007 I1008 C1012 R1013 T1014 L1019 I1023 | V889-V1010 HydrophobicContact CG1-CG2 3.88Å; I892-V1010 HydrophobicContact CB-CG2 4.22Å; I892-V1010 HydrophobicContact CG2-CG1 4.12Å; I892-V1010 HydrophobicContact CG2-CG2 3.87Å; V893-V1010 HydrophobicContact CG2-CB 4.4Å; V893-V1010 HydrophobicContact CG2-CG2 3.48Å; V893-V1010 VanDerWaalsContact CG2-CG2 3.48Å; G1006-V1010 VanDerWaalsContact O-CG2 3.3Å; G1006-V1010 WeakPolarHBondContact O-CG2 3.36Å; G1006-V1010 PolarHBondContact O-N 3.39Å; V1007-V1010 PolarHBondContact O-N 3.09Å; I1008-V1010 VanDerWaalsContact C-N 3.31Å; I1008-V1010 PolarHBondContact O-N 3.26Å; V1010-C1012 PolarHBondContact O-N 2.78Å; V1010-R1013 PolarHBondContact O-N 3.41Å; V1010-T1014 HydrophobicContact CB-CG2 4.46Å; V1010-T1014 HydrophobicContact CG1-CG2 3.72Å; V1010-T1014 WeakPolarHBondContact O-CB 3.24Å; V1010-T1014 VanDerWaalsContact O-CG2 3.27Å; V1010-T1014 WeakPolarHBondContact O-CG2 3.21Å; V1010-T1014 PolarHBondContact O-N 2.82Å; V1010-T1014 PolarHBondContact O-OG1 2.72Å; V1010-L1019 HydrophobicContact CG1-CD2 4.12Å; V1010-I1023 HydrophobicContact CB-CD1 4.44Å; V1010-I1023 HydrophobicContact CG1-CD1 3.55Å |
| 1011 | T | 80.6 | Confident | 83.2 | Confident | 12 Ų | 12 | 46.7 Ų | 46.7 | 7% | 0.074 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.3 | -27.5 | 177.4 | 58.3 | 0 | 0 | 0 | 0 | 113.3 | V1007 I1008 I1023 F1024 | V1007-T1011 WeakPolarHBondContact O-CG2 3.47Å; V1007-T1011 PolarHBondContact O-N 3.34Å; V1007-T1011 PolarHBondContact O-OG1 3.38Å; I1008-T1011 WeakPolarHBondContact CA-OG1 3.3Å; I1008-T1011 PolarHBondContact O-N 3.21Å; I1008-T1011 VanDerWaalsContact O-N 3.1Å; I1008-T1011 PolarHBondContact O-OG1 2.97Å; T1011-I1023 HydrophobicContact CG2-CD1 4.43Å; T1011-I1023 HydrophobicContact CG2-CG2 3.8Å; T1011-F1024 HydrophobicContact CG2-CE2 4.01Å; T1011-F1024 HydrophobicContact CG2-CZ 3.91Å |
| 1012 | C | 79.4 | Confident | 82.8 | Confident | 64 Ų | 64 | 44.7 Ų | 44.7 | 43% | 0.432 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -82.5 | -35.6 | 178.9 | -63.7 | 0 | 0 | 0 | 0 | 113.4 | I1008 D1009 V1010 | I1008-C1012 PolarHBondContact O-N 3.48Å; I1008-C1012 PolarHBondContact O-SG 3.09Å; D1009-C1012 PolarHBondContact O-N 2.79Å; V1010-C1012 PolarHBondContact O-N 2.78Å |
| 1013 | R | 78.7 | Confident | 82.5 | Confident | 122 Ų | 122 | 42.3 Ų | 42.3 | 46% | 0.46 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -106.7 | -16.4 | -168.7 | -61.1 | -165.3 | -167.8 | 167.9 | 7.2 | 115.2 | Y894 D1009 V1010 | Y894-R1013 PolarHBondContact OH-NH1 2.87Å; Y894-R1013 PolarHBondContact OH-NH2 2.69Å; D1009-R1013 WeakPolarHBondContact O-CB 3.5Å; D1009-R1013 WeakPolarHBondContact O-CG 3.42Å; D1009-R1013 PolarHBondContact O-N 2.9Å; V1010-R1013 PolarHBondContact O-N 3.41Å |
| 1014 | T | 77.6 | Confident | 81.9 | Confident | 21 Ų | 21 | 42.4 Ų | 42.4 | 13% | 0.129 | 22% | 0.221 | C | C | . | . | trans | -83.8 | 132.6 | -177.6 | 59.4 | 0 | 0 | 0 | 0 | 112.5 | I892 V1010 D1016 L1019 R1020 | I892-T1014 HydrophobicContact CG2-CG2 3.76Å; V1010-T1014 HydrophobicContact CB-CG2 4.46Å; V1010-T1014 HydrophobicContact CG1-CG2 3.72Å; V1010-T1014 WeakPolarHBondContact O-CB 3.24Å; V1010-T1014 VanDerWaalsContact O-CG2 3.27Å; V1010-T1014 WeakPolarHBondContact O-CG2 3.21Å; V1010-T1014 PolarHBondContact O-N 2.82Å; V1010-T1014 PolarHBondContact O-OG1 2.72Å; T1014-D1016 VanDerWaalsContact C-N 3.34Å; T1014-L1019 HydrophobicContact CG2-CD2 4.35Å; T1014-R1020 PolarHBondContact O-NE 3.32Å | ||
| 1015 | E | 75.6 | Confident | 81.4 | Confident | 181 Ų | 181 | 47.2 Ų | 47.2 | 85% | 0.846 | 24% | 0.241 | S | C | * | . | trans | -78.4 | -20.9 | 172.4 | -63.9 | -174.3 | 176 | 0 | 0 | 112.2 | V1017 R1020 | E1015-V1017 PolarHBondContact O-N 3.07Å; E1015-R1020 PolarHBondContact O-NH2 3.01Å | ||
| 1016 | D | 78.5 | Confident | 81.2 | Confident | 51 Ų | 51 | 45.3 Ų | 45.3 | 27% | 0.273 | 23% | 0.225 | S | C | . | . | trans | -64 | 97.7 | 179 | -173 | -12.2 | 0 | 0 | 0 | 111.2 | S956 Q960 T1014 L1018 L1019 R1020 | S956-D1016 PolarHBondContact OG-OD2 3.18Å; Q960-D1016 PolarHBondContact NE2-OD2 3.42Å; Q960-D1016 VanDerWaalsContact NE2-OD2 3.13Å; T1014-D1016 VanDerWaalsContact C-N 3.34Å; D1016-L1018 VanDerWaalsContact C-N 3.26Å; D1016-L1018 PolarHBondContact O-N 3.42Å; D1016-L1018 WeakPolarHBondContact OD1-CA 3.47Å; D1016-L1018 WeakPolarHBondContact OD1-CB 3.39Å; D1016-L1018 PolarHBondContact OD1-N 2.91Å; D1016-L1019 HydrophobicContact CB-CB 3.85Å; D1016-L1019 PolarHBondContact O-N 3.01Å; D1016-L1019 PolarHBondContact OD1-N 3.36Å; D1016-R1020 PolarHBondContact O-N 3.19Å; D1016-R1020 VanDerWaalsContact O-N 3.14Å | ||
| 1017 | V | 79.6 | Confident | 80.9 | Confident | 62 Ų | 62 | 45.2 Ų | 45.2 | 38% | 0.376 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -59.4 | -39.2 | 177.1 | -178.7 | 0 | 0 | 0 | 0 | 110.6 | E1015 R1020 L1021 | E1015-V1017 PolarHBondContact O-N 3.07Å; V1017-R1020 PolarHBondContact O-N 3.25Å; V1017-L1021 HydrophobicContact CG1-CD1 4.17Å; V1017-L1021 HydrophobicContact CG1-CG 4.34Å; V1017-L1021 VanDerWaalsContact O-CG 3.22Å; V1017-L1021 WeakPolarHBondContact O-CG 3.23Å; V1017-L1021 PolarHBondContact O-N 3.36Å |
| 1018 | L | 78.2 | Confident | 80.6 | Confident | 87 Ų | 87 | 45.3 Ų | 45.3 | 46% | 0.455 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -67.7 | -40.9 | -178.3 | -178.6 | 61.3 | 0 | 0 | 0 | 111.3 | D1016 L1021 I1022 | D1016-L1018 VanDerWaalsContact C-N 3.26Å; D1016-L1018 PolarHBondContact O-N 3.42Å; D1016-L1018 WeakPolarHBondContact OD1-CA 3.47Å; D1016-L1018 WeakPolarHBondContact OD1-CB 3.39Å; D1016-L1018 PolarHBondContact OD1-N 2.91Å; L1018-L1021 WeakPolarHBondContact O-CB 3.3Å; L1018-L1021 PolarHBondContact O-N 2.9Å; L1018-I1022 HydrophobicContact CD1-CD1 4.31Å; L1018-I1022 HydrophobicContact CD1-CG1 4.47Å; L1018-I1022 HydrophobicContact CG-CD1 4.05Å; L1018-I1022 VanDerWaalsContact O-CG1 3.29Å; L1018-I1022 WeakPolarHBondContact O-CG1 3.44Å; L1018-I1022 PolarHBondContact O-N 3.45Å |
| 1019 | L | 81.7 | Confident | 80.4 | Confident | 6 Ų | 6 | 46.7 Ų | 46.7 | 3% | 0.031 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.1 | -45.7 | 173.8 | 179.8 | 58.4 | 0 | 0 | 0 | 111.5 | I959 Q960 F963 V1010 T1014 D1016 L1021 I1022 I1023 | I959-L1019 HydrophobicContact CG2-CD1 3.68Å; I959-L1019 HydrophobicContact CG2-CD2 3.96Å; I959-L1019 HydrophobicContact CG2-CG 4.49Å; Q960-L1019 HydrophobicContact CG-CD1 4.43Å; F963-L1019 HydrophobicContact CD2-CD1 3.65Å; F963-L1019 HydrophobicContact CE2-CD1 4.16Å; F963-L1019 HydrophobicContact CG-CD1 4.39Å; V1010-L1019 HydrophobicContact CG1-CD2 4.12Å; T1014-L1019 HydrophobicContact CG2-CD2 4.35Å; D1016-L1019 HydrophobicContact CB-CB 3.85Å; D1016-L1019 PolarHBondContact O-N 3.01Å; D1016-L1019 PolarHBondContact OD1-N 3.36Å; L1019-L1021 VanDerWaalsContact C-N 3.33Å; L1019-L1021 PolarHBondContact O-N 2.92Å; L1019-I1022 PolarHBondContact O-N 3.46Å; L1019-I1023 HydrophobicContact CD1-CD1 4.07Å; L1019-I1023 HydrophobicContact CD1-CG1 4.27Å; L1019-I1023 HydrophobicContact CG-CD1 3.95Å; L1019-I1023 WeakPolarHBondContact O-CG1 3.42Å; L1019-I1023 PolarHBondContact O-N 2.84Å |
| 1020 | R | 81.8 | Confident | 80.5 | Confident | 59 Ų | 59 | 44.8 Ų | 44.8 | 22% | 0.223 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.5 | -46.3 | 174.4 | -72 | -175.2 | -76.9 | 162.9 | -7.4 | 111.3 | T1014 E1015 D1016 V1017 I1022 I1023 F1024 L1060 | T1014-R1020 PolarHBondContact O-NE 3.32Å; E1015-R1020 PolarHBondContact O-NH2 3.01Å; D1016-R1020 PolarHBondContact O-N 3.19Å; D1016-R1020 VanDerWaalsContact O-N 3.14Å; V1017-R1020 PolarHBondContact O-N 3.25Å; R1020-I1022 PolarHBondContact O-N 3.33Å; R1020-I1023 PolarHBondContact O-N 3.19Å; R1020-F1024 HydrophobicContact CB-CD2 4.5Å; R1020-F1024 HydrophobicContact CB-CE2 4.45Å; R1020-F1024 WeakPolarHBondContact O-CD2 2.92Å; R1020-F1024 PolarHBondContact O-N 3.44Å; R1020-L1060 HydrophobicContact CB-CD1 4.4Å; R1020-L1060 HydrophobicContact CB-CD2 3.98Å |
| 1021 | L | 78.4 | Confident | 80.3 | Confident | 54 Ų | 54 | 45.4 Ų | 45.4 | 28% | 0.283 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -57.3 | -44.7 | 176 | -70.6 | 172.5 | 0 | 0 | 0 | 112.5 | V1017 L1018 L1019 K1025 L1060 P1061 | V1017-L1021 HydrophobicContact CG1-CD1 4.17Å; V1017-L1021 HydrophobicContact CG1-CG 4.34Å; V1017-L1021 VanDerWaalsContact O-CG 3.22Å; V1017-L1021 WeakPolarHBondContact O-CG 3.23Å; V1017-L1021 PolarHBondContact O-N 3.36Å; L1018-L1021 WeakPolarHBondContact O-CB 3.3Å; L1018-L1021 PolarHBondContact O-N 2.9Å; L1019-L1021 VanDerWaalsContact C-N 3.33Å; L1019-L1021 PolarHBondContact O-N 2.92Å; L1021-K1025 VanDerWaalsContact O-CB 3.3Å; L1021-K1025 WeakPolarHBondContact O-CB 3.35Å; L1021-K1025 PolarHBondContact O-N 2.92Å; L1021-L1060 HydrophobicContact CD2-CD2 3.62Å; L1021-L1060 HydrophobicContact CG-CD2 3.97Å; L1021-P1061 HydrophobicContact CD2-CG 3.78Å |
| 1022 | I | 81.6 | Confident | 80.4 | Confident | 23 Ų | 23 | 52.7 Ų | 52.7 | 12% | 0.118 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.6 | -44.5 | 179.8 | -70.6 | 168.3 | 0 | 0 | 0 | 110.9 | Q960 F963 L1018 L1019 R1020 K1025 H1026 | Q960-I1022 HydrophobicContact CB-CD1 3.58Å; Q960-I1022 HydrophobicContact CG-CD1 3.73Å; F963-I1022 HydrophobicContact CB-CG2 3.75Å; L1018-I1022 HydrophobicContact CD1-CD1 4.31Å; L1018-I1022 HydrophobicContact CD1-CG1 4.47Å; L1018-I1022 HydrophobicContact CG-CD1 4.05Å; L1018-I1022 VanDerWaalsContact O-CG1 3.29Å; L1018-I1022 WeakPolarHBondContact O-CG1 3.44Å; L1018-I1022 PolarHBondContact O-N 3.45Å; L1019-I1022 PolarHBondContact O-N 3.46Å; R1020-I1022 PolarHBondContact O-N 3.33Å; I1022-K1025 PolarHBondContact O-N 3.23Å; I1022-K1025 VanDerWaalsContact O-N 3.16Å; I1022-H1026 PolarHBondContact O-CD2 3.44Å; I1022-H1026 PolarHBondContact O-N 3.27Å |
| 1023 | I | 82.3 | Confident | 80.5 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.9 | -52.3 | 177 | -72 | 170 | 0 | 0 | 0 | 109.9 | F963 V1007 V1010 T1011 L1019 R1020 K1025 H1026 V1027 | F963-I1023 HydrophobicContact CB-CG1 4.39Å; F963-I1023 HydrophobicContact CD1-CD1 4.49Å; F963-I1023 HydrophobicContact CD1-CG1 3.8Å; F963-I1023 HydrophobicContact CD2-CG1 4.3Å; F963-I1023 HydrophobicContact CE1-CD1 4.34Å; F963-I1023 HydrophobicContact CE1-CG1 4.08Å; F963-I1023 HydrophobicContact CE2-CD1 4.34Å; F963-I1023 HydrophobicContact CG-CG1 3.92Å; F963-I1023 HydrophobicContact CZ-CD1 4.25Å; F963-I1023 HydrophobicContact CZ-CG1 4.43Å; V1007-I1023 HydrophobicContact CG1-CG2 3.71Å; V1010-I1023 HydrophobicContact CB-CD1 4.44Å; V1010-I1023 HydrophobicContact CG1-CD1 3.55Å; T1011-I1023 HydrophobicContact CG2-CD1 4.43Å; T1011-I1023 HydrophobicContact CG2-CG2 3.8Å; L1019-I1023 HydrophobicContact CD1-CD1 4.07Å; L1019-I1023 HydrophobicContact CD1-CG1 4.27Å; L1019-I1023 HydrophobicContact CG-CD1 3.95Å; L1019-I1023 WeakPolarHBondContact O-CG1 3.42Å; L1019-I1023 PolarHBondContact O-N 2.84Å; R1020-I1023 PolarHBondContact O-N 3.19Å; I1023-K1025 PolarHBondContact O-N 2.93Å; I1023-H1026 PolarHBondContact O-N 2.85Å; I1023-V1027 HydrophobicContact CB-CG2 4.46Å; I1023-V1027 HydrophobicContact CG2-CG2 3.86Å; I1023-V1027 VanDerWaalsContact O-CB 3.24Å; I1023-V1027 WeakPolarHBondContact O-CB 3.28Å; I1023-V1027 WeakPolarHBondContact O-CG2 3.5Å; I1023-V1027 PolarHBondContact O-N 3.35Å |
| 1024 | F | 79.6 | Confident | 80.8 | Confident | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.009 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64 | -24.4 | 179.3 | -75.1 | -57.1 | 0 | 0 | 0 | 113.5 | T1011 R1020 P1028 L1050 T1054 L1060 I1065 | T1011-F1024 HydrophobicContact CG2-CE2 4.01Å; T1011-F1024 HydrophobicContact CG2-CZ 3.91Å; R1020-F1024 HydrophobicContact CB-CD2 4.5Å; R1020-F1024 HydrophobicContact CB-CE2 4.45Å; R1020-F1024 WeakPolarHBondContact O-CD2 2.92Å; R1020-F1024 PolarHBondContact O-N 3.44Å; F1024-P1028 WeakPolarHBondContact O-CD 3.46Å; F1024-P1028 WeakPolarHBondContact O-CG 3.5Å; F1024-L1050 HydrophobicContact CD1-CD1 4.14Å; F1024-L1050 HydrophobicContact CD1-CG 4.27Å; F1024-L1050 HydrophobicContact CE1-CD1 3.5Å; F1024-L1050 HydrophobicContact CE1-CG 3.82Å; F1024-L1050 HydrophobicContact CZ-CD1 4.28Å; F1024-T1054 HydrophobicContact CD1-CG2 3.63Å; F1024-T1054 HydrophobicContact CE1-CG2 3.31Å; F1024-T1054 HydrophobicContact CG-CG2 4.34Å; F1024-T1054 HydrophobicContact CZ-CG2 3.86Å; F1024-L1060 HydrophobicContact CD2-CB 4.15Å; F1024-L1060 HydrophobicContact CD2-CD1 3.73Å; F1024-L1060 HydrophobicContact CD2-CD2 4.21Å; F1024-L1060 HydrophobicContact CD2-CG 4.24Å; F1024-L1060 HydrophobicContact CE2-CB 4.48Å; F1024-L1060 HydrophobicContact CE2-CD1 3.34Å; F1024-L1060 HydrophobicContact CE2-CG 4.31Å; F1024-L1060 HydrophobicContact CZ-CD1 4.27Å; F1024-I1065 HydrophobicContact CB-CD1 3.97Å; F1024-I1065 HydrophobicContact CD1-CD1 3.36Å; F1024-I1065 HydrophobicContact CD1-CG1 4.49Å; F1024-I1065 HydrophobicContact CE1-CD1 4.21Å; F1024-I1065 HydrophobicContact CG-CD1 4.04Å; F1024-I1065 VanDerWaalsContact O-CG1 3.24Å; F1024-I1065 WeakPolarHBondContact O-CG1 3.38Å |
| 1025 | K | 80.4 | Confident | 81.1 | Confident | 111 Ų | 111 | 44.6 Ų | 44.6 | 48% | 0.483 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -82.7 | -37.5 | 177.1 | -176.9 | 179.1 | 174.7 | -172.7 | 0 | 114 | L1021 I1022 I1023 K1064 | L1021-K1025 VanDerWaalsContact O-CB 3.3Å; L1021-K1025 WeakPolarHBondContact O-CB 3.35Å; L1021-K1025 PolarHBondContact O-N 2.92Å; I1022-K1025 PolarHBondContact O-N 3.23Å; I1022-K1025 VanDerWaalsContact O-N 3.16Å; I1023-K1025 PolarHBondContact O-N 2.93Å; K1025-K1064 HydrophobicContact CG-CD 4.37Å; K1025-K1064 WeakPolarHBondContact O-CD 3.4Å; K1025-K1064 WeakPolarHBondContact O-CE 3.16Å; K1025-K1064 PolarHBondContact O-NZ 3.04Å |
| 1026 | H | 82.5 | Confident | 81.4 | Confident | 27 Ų | 27 | 43.1 Ų | 43.1 | 13% | 0.125 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -113.1 | -25 | -167 | -69.2 | -73.7 | 0 | 0 | 0 | 114.6 | F963 S964 I966 I1022 I1023 P1028 E1029 | F963-H1026 VanDerWaalsContact O-CB 3.31Å; F963-H1026 WeakPolarHBondContact O-CB 3.38Å; S964-H1026 PolarHBondContact O-ND1 2.83Å; I966-H1026 HydrophobicContact CG2-CB 4.15Å; I1022-H1026 PolarHBondContact O-CD2 3.44Å; I1022-H1026 PolarHBondContact O-N 3.27Å; I1023-H1026 PolarHBondContact O-N 2.85Å; H1026-P1028 VanDerWaalsContact C-CD 3.48Å; H1026-E1029 IonicContact CE1-OE1 2.69Å; H1026-E1029 IonicContact CG-OE1 3.22Å; H1026-E1029 IonicContact ND1-OE1 3.25Å; H1026-E1029 PolarHBondContact ND1-OE1 2.77Å; H1026-E1029 WeakPolarHBondContact O-CB 3.39Å; H1026-E1029 PolarHBondContact O-N 3.13Å |
| 1027 | V | 82.7 | Confident | 81.6 | Confident | 8 Ų | 8 | 42 Ų | 42 | 5% | 0.048 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -62.8 | -36.6 | 174.5 | 173.5 | 0 | 0 | 0 | 0 | 113.1 | F963 V1007 I1023 E1029 I1030 | F963-V1027 HydrophobicContact CD1-CG2 4.48Å; V1007-V1027 HydrophobicContact CG1-CG2 4.48Å; I1023-V1027 HydrophobicContact CB-CG2 4.46Å; I1023-V1027 HydrophobicContact CG2-CG2 3.86Å; I1023-V1027 VanDerWaalsContact O-CB 3.24Å; I1023-V1027 WeakPolarHBondContact O-CB 3.28Å; I1023-V1027 WeakPolarHBondContact O-CG2 3.5Å; I1023-V1027 PolarHBondContact O-N 3.35Å; V1027-E1029 PolarHBondContact O-N 2.93Å; V1027-I1030 HydrophobicContact CG1-CD1 4.33Å; V1027-I1030 WeakPolarHBondContact O-CB 3.26Å; V1027-I1030 WeakPolarHBondContact O-CD1 3.47Å; V1027-I1030 WeakPolarHBondContact O-CG1 3.34Å; V1027-I1030 PolarHBondContact O-N 2.82Å |
| 1028 | P | 80.4 | Confident | 81.9 | Confident | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.013 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -54.6 | -35.2 | 175.1 | -31.3 | 40 | 0 | 0 | 0 | 113.8 | F1024 H1026 I1030 I1031 I1065 E1068 | F1024-P1028 WeakPolarHBondContact O-CD 3.46Å; F1024-P1028 WeakPolarHBondContact O-CG 3.5Å; H1026-P1028 VanDerWaalsContact C-CD 3.48Å; P1028-I1030 PolarHBondContact O-N 2.88Å; P1028-I1031 HydrophobicContact CB-CD1 4.25Å; P1028-I1031 VanDerWaalsContact O-CB 3.24Å; P1028-I1031 WeakPolarHBondContact O-CB 3.11Å; P1028-I1031 WeakPolarHBondContact O-CD1 3.47Å; P1028-I1031 WeakPolarHBondContact O-CG1 3.44Å; P1028-I1031 PolarHBondContact O-N 2.74Å; P1028-I1065 HydrophobicContact CB-CG1 4.49Å; P1028-I1065 HydrophobicContact CG-CB 3.89Å; P1028-I1065 HydrophobicContact CG-CG1 3.35Å; P1028-I1065 HydrophobicContact CG-CG2 4.22Å; P1028-E1068 HydrophobicContact CB-CB 4.28Å; P1028-E1068 VanDerWaalsContact CB-OE2 3.24Å; P1028-E1068 WeakPolarHBondContact CB-OE2 3.48Å |
| 1029 | E | 81.5 | Confident | 82.3 | Confident | 43 Ų | 43 | 37.6 Ų | 37.6 | 20% | 0.201 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -61.1 | -18.2 | -173.9 | -61.5 | 176.4 | -164.6 | 0 | 0 | 112.5 | H967 H1026 V1027 K1064 E1068 | H967-E1029 HydrophobicContact CB-CB 3.93Å; H967-E1029 VanDerWaalsContact CB-OE2 3.26Å; H967-E1029 WeakPolarHBondContact CB-OE2 3.38Å; H967-E1029 PolarHBondContact CE1-O 3.16Å; H967-E1029 IonicContact CG-OE2 2.63Å; H967-E1029 PolarHBondContact ND1-O 3.45Å; H1026-E1029 IonicContact CE1-OE1 2.69Å; H1026-E1029 IonicContact CG-OE1 3.22Å; H1026-E1029 IonicContact ND1-OE1 3.25Å; H1026-E1029 PolarHBondContact ND1-OE1 2.77Å; H1026-E1029 WeakPolarHBondContact O-CB 3.39Å; H1026-E1029 PolarHBondContact O-N 3.13Å; V1027-E1029 PolarHBondContact O-N 2.93Å; E1029-K1064 IonicContact OE1-NZ 3.65Å; E1029-K1064 PolarHBondContact OE1-NZ 2.91Å; E1029-E1068 WeakPolarHBondContact CA-OE2 3.47Å; E1029-E1068 PolarHBondContact N-OE2 2.66Å |
| 1030 | I | 84.7 | Confident | 82.5 | Confident | 6 Ų | 6 | 41.3 Ų | 41.3 | 3% | 0.031 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -75.6 | -28.7 | 178.3 | -58.4 | 163.3 | 0 | 0 | 0 | 111.5 | I966 F970 V1027 P1028 K1032 N1033 L1034 | I966-I1030 HydrophobicContact CB-CD1 4.34Å; I966-I1030 HydrophobicContact CG1-CD1 3.74Å; I966-I1030 HydrophobicContact CG2-CD1 3.77Å; I966-I1030 HydrophobicContact CG2-CG1 4.24Å; F970-I1030 HydrophobicContact CB-CB 4.31Å; F970-I1030 HydrophobicContact CB-CG1 4.02Å; F970-I1030 HydrophobicContact CB-CG2 3.59Å; F970-I1030 HydrophobicContact CD1-CG2 3.32Å; F970-I1030 HydrophobicContact CD2-CD1 3.47Å; F970-I1030 VanDerWaalsContact CD2-CD1 3.47Å; F970-I1030 HydrophobicContact CD2-CG1 3.82Å; F970-I1030 HydrophobicContact CD2-CG2 3.88Å; F970-I1030 HydrophobicContact CE1-CG2 3.9Å; F970-I1030 HydrophobicContact CE2-CD1 3.7Å; F970-I1030 HydrophobicContact CE2-CG1 4.5Å; F970-I1030 HydrophobicContact CE2-CG2 4.39Å; F970-I1030 HydrophobicContact CG-CB 4.24Å; F970-I1030 HydrophobicContact CG-CD1 4.05Å; F970-I1030 HydrophobicContact CG-CG1 3.96Å; F970-I1030 HydrophobicContact CG-CG2 3.29Å; F970-I1030 HydrophobicContact CZ-CD1 4.44Å; F970-I1030 HydrophobicContact CZ-CG2 4.39Å; V1027-I1030 HydrophobicContact CG1-CD1 4.33Å; V1027-I1030 WeakPolarHBondContact O-CB 3.26Å; V1027-I1030 WeakPolarHBondContact O-CD1 3.47Å; V1027-I1030 WeakPolarHBondContact O-CG1 3.34Å; V1027-I1030 PolarHBondContact O-N 2.82Å; P1028-I1030 PolarHBondContact O-N 2.88Å; I1030-K1032 VanDerWaalsContact C-N 3.31Å; I1030-K1032 PolarHBondContact O-N 3.43Å; I1030-N1033 PolarHBondContact O-N 3.31Å; I1030-L1034 HydrophobicContact CG2-CB 4.03Å; I1030-L1034 HydrophobicContact CG2-CD2 4.34Å; I1030-L1034 WeakPolarHBondContact O-CB 3.22Å; I1030-L1034 PolarHBondContact O-N 3.5Å |
| 1031 | I | 81.4 | Confident | 82.7 | Confident | 13 Ų | 13 | 42.1 Ų | 42.1 | 7% | 0.067 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -52.9 | -47.8 | -170.7 | -66.7 | 166.5 | 0 | 0 | 0 | 110.9 | P1028 N1033 L1034 T1035 L1043 I1047 L1074 | P1028-I1031 HydrophobicContact CB-CD1 4.25Å; P1028-I1031 VanDerWaalsContact O-CB 3.24Å; P1028-I1031 WeakPolarHBondContact O-CB 3.11Å; P1028-I1031 WeakPolarHBondContact O-CD1 3.47Å; P1028-I1031 WeakPolarHBondContact O-CG1 3.44Å; P1028-I1031 PolarHBondContact O-N 2.74Å; I1031-N1033 VanDerWaalsContact C-N 3.28Å; I1031-N1033 PolarHBondContact O-N 2.97Å; I1031-L1034 PolarHBondContact O-N 2.93Å; I1031-T1035 HydrophobicContact CG2-CG2 4.34Å; I1031-T1035 VanDerWaalsContact O-CG2 3.27Å; I1031-T1035 WeakPolarHBondContact O-CG2 3.4Å; I1031-T1035 PolarHBondContact O-N 3.22Å; I1031-T1035 PolarHBondContact O-OG1 3.49Å; I1031-L1043 HydrophobicContact CG2-CD2 4.37Å; I1031-I1047 HydrophobicContact CD1-CD1 3.74Å; I1031-I1047 HydrophobicContact CD1-CG1 4.18Å; I1031-I1047 HydrophobicContact CG1-CD1 4.13Å; I1031-I1047 HydrophobicContact CG2-CD1 4.27Å; I1031-L1074 HydrophobicContact CG2-CD1 3.75Å |
| 1032 | K | 81.6 | Confident | 83 | Confident | 164 Ų | 164 | 43.6 Ų | 43.6 | 71% | 0.713 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -60.2 | -34 | -177.7 | -176.8 | 178.7 | 178.5 | 179.8 | 0 | 113.7 | I1030 T1035 | I1030-K1032 VanDerWaalsContact C-N 3.31Å; I1030-K1032 PolarHBondContact O-N 3.43Å; K1032-T1035 PolarHBondContact O-OG1 3Å; K1032-T1035 VanDerWaalsContact O-OG1 3.06Å |
| 1033 | N | 81.3 | Confident | 83.2 | Confident | 17 Ų | 17 | 42.6 Ų | 42.6 | 9% | 0.091 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -86.9 | -39 | 180 | -70.1 | -33.4 | 0 | 0 | 0 | 110.9 | H967 V974 I1030 I1031 T1035 K1036 | H967-N1033 PolarHBondContact CE1-ND2 3.47Å; H967-N1033 VanDerWaalsContact CE1-ND2 3.33Å; V974-N1033 HydrophobicContact CG2-CB 4.19Å; I1030-N1033 PolarHBondContact O-N 3.31Å; I1031-N1033 VanDerWaalsContact C-N 3.28Å; I1031-N1033 PolarHBondContact O-N 2.97Å; N1033-T1035 VanDerWaalsContact C-N 3.33Å; N1033-T1035 PolarHBondContact O-N 2.84Å; N1033-K1036 WeakPolarHBondContact O-CB 3.33Å; N1033-K1036 PolarHBondContact O-N 3.13Å |
| 1034 | L | 85.3 | Confident | 83.5 | Confident | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.7 | -32.5 | -177.7 | -168.2 | 63.9 | 0 | 0 | 0 | 112.5 | F970 F996 V1000 I1030 I1031 K1036 V1037 Y1038 L1043 | F970-L1034 HydrophobicContact CD1-CD1 4.26Å; F970-L1034 HydrophobicContact CE1-CD1 4.18Å; F996-L1034 HydrophobicContact CZ-CD1 4.38Å; V1000-L1034 HydrophobicContact CG1-CD1 4.31Å; V1000-L1034 HydrophobicContact CG1-CD2 4.27Å; I1030-L1034 HydrophobicContact CG2-CB 4.03Å; I1030-L1034 HydrophobicContact CG2-CD2 4.34Å; I1030-L1034 WeakPolarHBondContact O-CB 3.22Å; I1030-L1034 PolarHBondContact O-N 3.5Å; I1031-L1034 PolarHBondContact O-N 2.93Å; L1034-K1036 PolarHBondContact O-N 3.29Å; L1034-V1037 HydrophobicContact CD1-CG2 4.41Å; L1034-V1037 PolarHBondContact O-N 3.02Å; L1034-V1037 VanDerWaalsContact O-N 3.09Å; L1034-Y1038 HydrophobicContact CG-CG 4.35Å; L1034-Y1038 WeakPolarHBondContact O-CB 3.23Å; L1034-Y1038 PolarHBondContact O-N 2.77Å; L1034-L1043 HydrophobicContact CD2-CD1 3.85Å; L1034-L1043 HydrophobicContact CD2-CD2 4.38Å |
| 1035 | T | 84.2 | Confident | 83.8 | Confident | 19 Ų | 19 | 47.1 Ų | 47.1 | 12% | 0.117 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -15.3 | 174.9 | 50.5 | 0 | 0 | 0 | 0 | 114.5 | I1031 K1032 N1033 L1043 L1074 | I1031-T1035 HydrophobicContact CG2-CG2 4.34Å; I1031-T1035 VanDerWaalsContact O-CG2 3.27Å; I1031-T1035 WeakPolarHBondContact O-CG2 3.4Å; I1031-T1035 PolarHBondContact O-N 3.22Å; I1031-T1035 PolarHBondContact O-OG1 3.49Å; K1032-T1035 PolarHBondContact O-OG1 3Å; K1032-T1035 VanDerWaalsContact O-OG1 3.06Å; N1033-T1035 VanDerWaalsContact C-N 3.33Å; N1033-T1035 PolarHBondContact O-N 2.84Å; T1035-L1043 HydrophobicContact CG2-CD2 3.76Å; T1035-L1074 HydrophobicContact CG2-CD1 4.25Å; T1035-L1074 HydrophobicContact CG2-CD2 3.69Å; T1035-L1074 HydrophobicContact CG2-CG 3.76Å |
| 1036 | K | 81.4 | Confident | 84 | Confident | 149 Ų | 149 | 42.7 Ų | 42.7 | 65% | 0.648 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -24.9 | 177 | -62 | 179.7 | 178.9 | 176.7 | 0 | 113.7 | N1033 L1034 | N1033-K1036 WeakPolarHBondContact O-CB 3.33Å; N1033-K1036 PolarHBondContact O-N 3.13Å; L1034-K1036 PolarHBondContact O-N 3.29Å |
| 1037 | V | 83 | Confident | 84.2 | Confident | 29 Ų | 29 | 41.4 Ų | 41.4 | 18% | 0.176 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -129.1 | -13.5 | -171.9 | -67.1 | 0 | 0 | 0 | 0 | 113.7 | V974 R977 F996 L1034 | V974-V1037 HydrophobicContact CB-CG2 4.45Å; V974-V1037 HydrophobicContact CG1-CG1 4.14Å; V974-V1037 HydrophobicContact CG1-CG2 4.16Å; V974-V1037 HydrophobicContact CG2-CG2 3.92Å; R977-V1037 HydrophobicContact CG-CB 4.26Å; R977-V1037 HydrophobicContact CG-CG1 4.17Å; F996-V1037 HydrophobicContact CE1-CB 4.16Å; F996-V1037 HydrophobicContact CE1-CG2 3.75Å; F996-V1037 HydrophobicContact CZ-CG2 3.74Å; L1034-V1037 HydrophobicContact CD1-CG2 4.41Å; L1034-V1037 PolarHBondContact O-N 3.02Å; L1034-V1037 VanDerWaalsContact O-N 3.09Å |
| 1038 | Y | 86.9 | Confident | 84.4 | Confident | 12 Ų | 12 | 42.8 Ų | 42.8 | 5% | 0.047 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -114.4 | 144.4 | -177.6 | -172.8 | -92.7 | 0 | 0 | 0 | 111.7 | I997 V1000 E1001 L1034 K1040 K1042 L1043 | I997-Y1038 HydrophobicContact CB-CE2 4.41Å; I997-Y1038 HydrophobicContact CG1-CD2 4.3Å; I997-Y1038 HydrophobicContact CG1-CE2 4.35Å; I997-Y1038 HydrophobicContact CG2-CE2 4.02Å; V1000-Y1038 HydrophobicContact CB-CD2 4.19Å; V1000-Y1038 HydrophobicContact CB-CE2 4.14Å; V1000-Y1038 HydrophobicContact CG1-CD2 3.83Å; V1000-Y1038 HydrophobicContact CG1-CE2 3.82Å; E1001-Y1038 HydrophobicContact CG-CE2 4.38Å; E1001-Y1038 VanDerWaalsContact CG-OH 3.31Å; E1001-Y1038 WeakPolarHBondContact CG-OH 3.17Å; E1001-Y1038 PolarHBondContact OE1-OH 3.32Å; L1034-Y1038 HydrophobicContact CG-CG 4.35Å; L1034-Y1038 WeakPolarHBondContact O-CB 3.23Å; L1034-Y1038 PolarHBondContact O-N 2.77Å; Y1038-K1040 PolarHBondContact O-N 2.62Å; Y1038-K1042 HydrophobicContact CE1-CB 3.67Å; Y1038-K1042 WeakPolarHBondContact OH-CB 3.35Å; Y1038-L1043 HydrophobicContact CD1-CB 3.84Å; Y1038-L1043 HydrophobicContact CE1-CB 3.95Å |
| 1039 | P | 86.1 | Confident | 84.5 | Confident | 43 Ų | 43 | 47.8 Ų | 47.8 | 28% | 0.279 | 23% | 0.228 | S | C | . | . | trans | -58.4 | 120.8 | -179.1 | -24.3 | 33.5 | 0 | 0 | 0 | 113.2 | I997 L1041 K1042 L1043 | I997-P1039 HydrophobicContact CD1-CG 3.86Å; I997-P1039 HydrophobicContact CG1-CG 4.43Å; P1039-L1041 VanDerWaalsContact C-N 3.31Å; P1039-L1041 PolarHBondContact O-N 3.31Å; P1039-K1042 HydrophobicContact CB-CB 4.46Å; P1039-K1042 HydrophobicContact CB-CD 4.43Å; P1039-K1042 HydrophobicContact CB-CG 4.44Å; P1039-K1042 HydrophobicContact CG-CD 4.47Å; P1039-K1042 PolarHBondContact O-N 3Å; P1039-L1043 PolarHBondContact O-N 2.88Å; P1039-L1043 VanDerWaalsContact O-N 3.16Å | ||
| 1040 | K | 85.6 | Confident | 84.6 | Confident | 84 Ų | 84 | 46 Ų | 46 | 37% | 0.365 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -53.8 | -43 | -176.8 | -64.5 | -177.1 | -176.9 | 178.9 | 0 | 113.5 | Y1038 L1043 S1044 L1074 | Y1038-K1040 PolarHBondContact O-N 2.62Å; K1040-L1043 PolarHBondContact O-N 3.43Å; K1040-S1044 PolarHBondContact O-N 3.13Å; K1040-L1074 HydrophobicContact CB-CD2 3.67Å; K1040-L1074 HydrophobicContact CG-CD2 3.99Å |
| 1041 | L | 85.6 | Confident | 84.4 | Confident | 77 Ų | 77 | 45.7 Ų | 45.7 | 40% | 0.403 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -64.2 | -45.7 | -177.6 | -172.7 | 68.3 | 0 | 0 | 0 | 112.3 | P1039 L1043 S1044 Q1045 K1079 L1083 | P1039-L1041 VanDerWaalsContact C-N 3.31Å; P1039-L1041 PolarHBondContact O-N 3.31Å; L1041-L1043 VanDerWaalsContact C-N 3.3Å; L1041-L1043 PolarHBondContact O-N 3.41Å; L1041-S1044 PolarHBondContact O-N 2.96Å; L1041-S1044 PolarHBondContact O-OG 3.18Å; L1041-Q1045 PolarHBondContact O-N 3.03Å; L1041-K1079 HydrophobicContact CD1-CB 4.3Å; L1041-L1083 HydrophobicContact CD1-CD1 3.73Å |
| 1042 | K | 84.9 | Confident | 84.5 | Confident | 84 Ų | 84 | 47.6 Ų | 47.6 | 37% | 0.365 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.5 | -37.4 | 177.2 | -69.8 | -175.6 | 165.7 | -164.8 | 0 | 111.5 | E1001 Y1038 P1039 S1044 Q1045 F1046 | E1001-K1042 VanDerWaalsContact OE1-CD 3.32Å; E1001-K1042 WeakPolarHBondContact OE1-CD 3.24Å; E1001-K1042 WeakPolarHBondContact OE1-CE 3.4Å; E1001-K1042 IonicContact OE1-NZ 3.57Å; E1001-K1042 PolarHBondContact OE1-NZ 3.11Å; Y1038-K1042 HydrophobicContact CE1-CB 3.67Å; Y1038-K1042 WeakPolarHBondContact OH-CB 3.35Å; P1039-K1042 HydrophobicContact CB-CB 4.46Å; P1039-K1042 HydrophobicContact CB-CD 4.43Å; P1039-K1042 HydrophobicContact CB-CG 4.44Å; P1039-K1042 HydrophobicContact CG-CD 4.47Å; P1039-K1042 PolarHBondContact O-N 3Å; K1042-S1044 VanDerWaalsContact C-N 3.33Å; K1042-S1044 PolarHBondContact O-N 2.97Å; K1042-Q1045 PolarHBondContact O-N 3.31Å; K1042-F1046 PolarHBondContact O-N 3.25Å; K1042-F1046 VanDerWaalsContact O-N 3.15Å |
| 1043 | L | 86.8 | Confident | 84.3 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.3 | -39.3 | 177.3 | -172.6 | 55.5 | 0 | 0 | 0 | 111.4 | L1004 I1031 L1034 T1035 Y1038 P1039 K1040 L1041 Q1045 F1046 I1047 L1074 | L1004-L1043 HydrophobicContact CD1-CD1 4.42Å; I1031-L1043 HydrophobicContact CG2-CD2 4.37Å; L1034-L1043 HydrophobicContact CD2-CD1 3.85Å; L1034-L1043 HydrophobicContact CD2-CD2 4.38Å; T1035-L1043 HydrophobicContact CG2-CD2 3.76Å; Y1038-L1043 HydrophobicContact CD1-CB 3.84Å; Y1038-L1043 HydrophobicContact CE1-CB 3.95Å; P1039-L1043 PolarHBondContact O-N 2.88Å; P1039-L1043 VanDerWaalsContact O-N 3.16Å; K1040-L1043 PolarHBondContact O-N 3.43Å; L1041-L1043 VanDerWaalsContact C-N 3.3Å; L1041-L1043 PolarHBondContact O-N 3.41Å; L1043-Q1045 VanDerWaalsContact C-N 3.33Å; L1043-Q1045 PolarHBondContact O-N 3.02Å; L1043-F1046 HydrophobicContact CD1-CD1 4.36Å; L1043-F1046 WeakPolarHBondContact O-CB 3.49Å; L1043-F1046 PolarHBondContact O-N 2.78Å; L1043-I1047 HydrophobicContact CG-CD1 4.2Å; L1043-I1047 WeakPolarHBondContact O-CG1 3.42Å; L1043-I1047 PolarHBondContact O-N 3.09Å; L1043-L1074 HydrophobicContact CB-CD2 4.46Å; L1043-L1074 HydrophobicContact CD2-CD1 3.91Å; L1043-L1074 HydrophobicContact CD2-CD2 4.3Å; L1043-L1074 HydrophobicContact CG-CD1 3.96Å |
| 1044 | S | 86.7 | Confident | 83.9 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62 | -39.6 | 175.7 | 74.2 | 0 | 0 | 0 | 0 | 112.1 | K1040 L1041 K1042 F1046 I1047 V1048 | K1040-S1044 PolarHBondContact O-N 3.13Å; L1041-S1044 PolarHBondContact O-N 2.96Å; L1041-S1044 PolarHBondContact O-OG 3.18Å; K1042-S1044 VanDerWaalsContact C-N 3.33Å; K1042-S1044 PolarHBondContact O-N 2.97Å; S1044-F1046 PolarHBondContact O-N 3.03Å; S1044-I1047 PolarHBondContact O-N 3.18Å; S1044-V1048 VanDerWaalsContact O-CG2 3.27Å; S1044-V1048 WeakPolarHBondContact O-CG2 3.31Å; S1044-V1048 PolarHBondContact O-N 2.81Å |
| 1045 | Q | 87.2 | Confident | 83.3 | Confident | 98 Ų | 98 | 45.5 Ų | 45.5 | 46% | 0.458 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.1 | -41.1 | 175.6 | -68.4 | 173.8 | -18.1 | 0 | 0 | 112.1 | L1041 K1042 L1043 V1048 Q1049 L1083 | L1041-Q1045 PolarHBondContact O-N 3.03Å; K1042-Q1045 PolarHBondContact O-N 3.31Å; L1043-Q1045 VanDerWaalsContact C-N 3.33Å; L1043-Q1045 PolarHBondContact O-N 3.02Å; Q1045-V1048 PolarHBondContact O-N 3.21Å; Q1045-Q1049 WeakPolarHBondContact O-CG 3.32Å; Q1045-Q1049 PolarHBondContact O-N 2.91Å; Q1045-L1083 HydrophobicContact CG-CD1 4.12Å |
| 1046 | F | 85.1 | Confident | 82.7 | Confident | 17 Ų | 17 | 50.8 Ų | 50.8 | 8% | 0.075 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.7 | -45.9 | 173.8 | 170.2 | -99.9 | 0 | 0 | 0 | 112.1 | L1004 I1008 K1042 L1043 S1044 V1048 Q1049 L1050 | L1004-F1046 HydrophobicContact CB-CD2 3.59Å; L1004-F1046 HydrophobicContact CB-CE2 3.52Å; L1004-F1046 HydrophobicContact CB-CG 4.17Å; L1004-F1046 HydrophobicContact CB-CZ 4.06Å; L1004-F1046 HydrophobicContact CD1-CB 4.39Å; L1004-F1046 HydrophobicContact CD1-CD1 4.13Å; L1004-F1046 HydrophobicContact CD1-CD2 4.26Å; L1004-F1046 HydrophobicContact CD1-CG 3.97Å; L1004-F1046 HydrophobicContact CD2-CD1 4.07Å; L1004-F1046 HydrophobicContact CD2-CD2 4.43Å; L1004-F1046 HydrophobicContact CD2-CE1 3.66Å; L1004-F1046 HydrophobicContact CD2-CE2 4.03Å; L1004-F1046 HydrophobicContact CD2-CG 4.44Å; L1004-F1046 HydrophobicContact CD2-CZ 3.63Å; L1004-F1046 HydrophobicContact CG-CD1 4.5Å; L1004-F1046 HydrophobicContact CG-CD2 4.29Å; L1004-F1046 HydrophobicContact CG-CE1 4.47Å; L1004-F1046 HydrophobicContact CG-CE2 4.23Å; L1004-F1046 HydrophobicContact CG-CG 4.41Å; L1004-F1046 HydrophobicContact CG-CZ 4.32Å; L1004-F1046 VanDerWaalsContact O-CE2 3.24Å; L1004-F1046 WeakPolarHBondContact O-CE2 3.44Å; I1008-F1046 HydrophobicContact CD1-CD2 3.48Å; I1008-F1046 VanDerWaalsContact CD1-CD2 3.48Å; I1008-F1046 HydrophobicContact CD1-CE2 3.39Å; I1008-F1046 HydrophobicContact CG1-CD2 4.24Å; I1008-F1046 HydrophobicContact CG1-CE2 3.63Å; I1008-F1046 HydrophobicContact CG1-CZ 4.47Å; K1042-F1046 PolarHBondContact O-N 3.25Å; K1042-F1046 VanDerWaalsContact O-N 3.15Å; L1043-F1046 HydrophobicContact CD1-CD1 4.36Å; L1043-F1046 WeakPolarHBondContact O-CB 3.49Å; L1043-F1046 PolarHBondContact O-N 2.78Å; S1044-F1046 PolarHBondContact O-N 3.03Å; F1046-V1048 VanDerWaalsContact C-N 3.3Å; F1046-V1048 PolarHBondContact O-N 3.32Å; F1046-Q1049 WeakPolarHBondContact O-CB 3.35Å; F1046-Q1049 PolarHBondContact O-N 3Å; F1046-Q1049 VanDerWaalsContact O-N 3.16Å; F1046-L1050 HydrophobicContact CE1-CD2 4.25Å; F1046-L1050 HydrophobicContact CZ-CD2 4.44Å; F1046-L1050 PolarHBondContact O-N 3.15Å |
| 1047 | I | 85.7 | Confident | 81.8 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.7 | -39.5 | 178.1 | -67.4 | 167 | 0 | 0 | 0 | 110.9 | I1031 L1043 S1044 L1050 L1051 T1069 L1074 L1084 | I1031-I1047 HydrophobicContact CD1-CD1 3.74Å; I1031-I1047 HydrophobicContact CD1-CG1 4.18Å; I1031-I1047 HydrophobicContact CG1-CD1 4.13Å; I1031-I1047 HydrophobicContact CG2-CD1 4.27Å; L1043-I1047 HydrophobicContact CG-CD1 4.2Å; L1043-I1047 WeakPolarHBondContact O-CG1 3.42Å; L1043-I1047 PolarHBondContact O-N 3.09Å; S1044-I1047 PolarHBondContact O-N 3.18Å; I1047-L1050 PolarHBondContact O-N 2.7Å; I1047-L1051 HydrophobicContact CG2-CD1 3.84Å; I1047-L1051 HydrophobicContact CG2-CG 4.2Å; I1047-L1051 WeakPolarHBondContact O-CB 3.38Å; I1047-L1051 WeakPolarHBondContact O-CG 3.46Å; I1047-L1051 PolarHBondContact O-N 2.58Å; I1047-T1069 HydrophobicContact CD1-CG2 4.47Å; I1047-T1069 HydrophobicContact CG2-CG2 3.85Å; I1047-L1074 HydrophobicContact CD1-CD1 3.34Å; I1047-L1084 HydrophobicContact CB-CD2 4.16Å; I1047-L1084 HydrophobicContact CG2-CD2 3.87Å |
| 1048 | V | 86.2 | Confident | 80.7 | Confident | 36 Ų | 36 | 48.5 Ų | 48.5 | 22% | 0.218 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.8 | -48 | 173.6 | 172.3 | 0 | 0 | 0 | 0 | 110.2 | S1044 Q1045 F1046 L1050 L1051 T1052 L1083 L1084 I1087 | S1044-V1048 VanDerWaalsContact O-CG2 3.27Å; S1044-V1048 WeakPolarHBondContact O-CG2 3.31Å; S1044-V1048 PolarHBondContact O-N 2.81Å; Q1045-V1048 PolarHBondContact O-N 3.21Å; F1046-V1048 VanDerWaalsContact C-N 3.3Å; F1046-V1048 PolarHBondContact O-N 3.32Å; V1048-L1050 VanDerWaalsContact C-N 3.35Å; V1048-L1050 PolarHBondContact O-N 3.37Å; V1048-L1051 PolarHBondContact O-N 3.32Å; V1048-T1052 WeakPolarHBondContact O-CB 3.42Å; V1048-T1052 PolarHBondContact O-N 2.91Å; V1048-T1052 PolarHBondContact O-OG1 3.28Å; V1048-L1083 HydrophobicContact CG2-CB 4.41Å; V1048-L1084 HydrophobicContact CG2-CD2 4.02Å; V1048-I1087 HydrophobicContact CB-CG2 4.43Å; V1048-I1087 HydrophobicContact CG1-CB 4.49Å; V1048-I1087 HydrophobicContact CG1-CG2 4.34Å; V1048-I1087 HydrophobicContact CG2-CG2 3.95Å |
| 1049 | Q | 83.5 | Confident | 79.4 | Confident | 107 Ų | 107 | 56 Ų | 56 | 50% | 0.5 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.8 | -44.4 | 177 | -70.7 | 176.6 | -2.5 | 0 | 0 | 111.9 | I1008 Q1045 F1046 T1052 R1053 | I1008-Q1049 HydrophobicContact CD1-CB 3.92Å; I1008-Q1049 VanDerWaalsContact CD1-OE1 3.29Å; Q1045-Q1049 WeakPolarHBondContact O-CG 3.32Å; Q1045-Q1049 PolarHBondContact O-N 2.91Å; F1046-Q1049 WeakPolarHBondContact O-CB 3.35Å; F1046-Q1049 PolarHBondContact O-N 3Å; F1046-Q1049 VanDerWaalsContact O-N 3.16Å; Q1049-T1052 PolarHBondContact O-N 3.24Å; Q1049-R1053 WeakPolarHBondContact O-CG 3.48Å; Q1049-R1053 PolarHBondContact O-N 2.54Å; Q1049-R1053 VanDerWaalsContact O-N 3.15Å |
| 1050 | L | 82.5 | Confident | 78.2 | Confident | 5 Ų | 5 | 54.7 Ų | 54.7 | 3% | 0.026 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 178.6 | -170.5 | 68.9 | 0 | 0 | 0 | 112.1 | F1024 F1046 I1047 V1048 R1053 T1054 I1065 | F1024-L1050 HydrophobicContact CD1-CD1 4.14Å; F1024-L1050 HydrophobicContact CD1-CG 4.27Å; F1024-L1050 HydrophobicContact CE1-CD1 3.5Å; F1024-L1050 HydrophobicContact CE1-CG 3.82Å; F1024-L1050 HydrophobicContact CZ-CD1 4.28Å; F1046-L1050 HydrophobicContact CE1-CD2 4.25Å; F1046-L1050 HydrophobicContact CZ-CD2 4.44Å; F1046-L1050 PolarHBondContact O-N 3.15Å; I1047-L1050 PolarHBondContact O-N 2.7Å; V1048-L1050 VanDerWaalsContact C-N 3.35Å; V1048-L1050 PolarHBondContact O-N 3.37Å; L1050-R1053 WeakPolarHBondContact O-CB 3.31Å; L1050-R1053 PolarHBondContact O-N 2.93Å; L1050-T1054 PolarHBondContact O-N 3.4Å; L1050-I1065 HydrophobicContact CD2-CG2 4.49Å |
| 1051 | L | 81.6 | Confident | 77.1 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.1 | -39.3 | 176.6 | -75.5 | 173.4 | 0 | 0 | 0 | 111.9 | I1047 V1048 R1053 T1054 L1055 I1065 L1066 I1087 I1088 | I1047-L1051 HydrophobicContact CG2-CD1 3.84Å; I1047-L1051 HydrophobicContact CG2-CG 4.2Å; I1047-L1051 WeakPolarHBondContact O-CB 3.38Å; I1047-L1051 WeakPolarHBondContact O-CG 3.46Å; I1047-L1051 PolarHBondContact O-N 2.58Å; V1048-L1051 PolarHBondContact O-N 3.32Å; L1051-R1053 PolarHBondContact O-N 2.91Å; L1051-T1054 PolarHBondContact O-N 3.44Å; L1051-T1054 PolarHBondContact O-OG1 3.4Å; L1051-L1055 PolarHBondContact O-N 2.78Å; L1051-I1065 HydrophobicContact CD2-CB 4.24Å; L1051-I1065 HydrophobicContact CD2-CG2 3.7Å; L1051-I1065 HydrophobicContact CG-CG2 4.21Å; L1051-L1066 HydrophobicContact CD1-CD2 4.3Å; L1051-L1066 HydrophobicContact CD2-CD2 3.75Å; L1051-L1066 HydrophobicContact CD2-CG 4.14Å; L1051-I1087 HydrophobicContact CB-CG1 3.81Å; L1051-I1087 HydrophobicContact CD1-CG2 3.98Å; L1051-I1088 HydrophobicContact CD1-CG1 4.05Å |
| 1052 | T | 82.7 | Confident | 76.3 | Confident | 53 Ų | 53 | 50.2 Ų | 50.2 | 33% | 0.325 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -57.8 | -38 | 173.2 | -57.9 | 0 | 0 | 0 | 0 | 111.3 | V1048 Q1049 L1055 E1056 I1087 | V1048-T1052 WeakPolarHBondContact O-CB 3.42Å; V1048-T1052 PolarHBondContact O-N 2.91Å; V1048-T1052 PolarHBondContact O-OG1 3.28Å; Q1049-T1052 PolarHBondContact O-N 3.24Å; T1052-L1055 WeakPolarHBondContact O-CB 3.48Å; T1052-L1055 PolarHBondContact O-N 3.48Å; T1052-E1056 PolarHBondContact O-N 2.99Å; T1052-I1087 WeakPolarHBondContact OG1-CD1 3.38Å |
| 1053 | R | 77.5 | Confident | 75.8 | Confident | 90 Ų | 90 | 49.9 Ų | 49.9 | 34% | 0.34 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -67.2 | -36.2 | 174 | -60.8 | -51.2 | 178 | -167.8 | -2.7 | 113.3 | Q1049 L1050 L1051 L1055 E1056 S1057 | Q1049-R1053 WeakPolarHBondContact O-CG 3.48Å; Q1049-R1053 PolarHBondContact O-N 2.54Å; Q1049-R1053 VanDerWaalsContact O-N 3.15Å; L1050-R1053 WeakPolarHBondContact O-CB 3.31Å; L1050-R1053 PolarHBondContact O-N 2.93Å; L1051-R1053 PolarHBondContact O-N 2.91Å; R1053-L1055 PolarHBondContact O-N 3.07Å; R1053-E1056 WeakPolarHBondContact CD-OE2 3.34Å; R1053-E1056 IonicContact CZ-OE2 3.56Å; R1053-E1056 IonicContact NE-OE2 3.43Å; R1053-E1056 VanDerWaalsContact NH1-CD 3.33Å; R1053-E1056 IonicContact NH1-OE1 2.59Å; R1053-E1056 PolarHBondContact NH1-OE1 3.03Å; R1053-E1056 IonicContact NH1-OE2 3.91Å; R1053-E1056 PolarHBondContact NH1-OE2 2.87Å; R1053-E1056 PolarHBondContact O-N 3Å; R1053-S1057 PolarHBondContact O-OG 3.23Å |
| 1054 | T | 74.2 | Confident | 75.2 | Confident | 8 Ų | 8 | 52.7 Ų | 52.7 | 5% | 0.049 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.9 | -30.4 | 175.5 | 65.3 | 0 | 0 | 0 | 0 | 113 | F1024 L1050 L1051 E1056 S1057 I1065 | F1024-T1054 HydrophobicContact CD1-CG2 3.63Å; F1024-T1054 HydrophobicContact CE1-CG2 3.31Å; F1024-T1054 HydrophobicContact CG-CG2 4.34Å; F1024-T1054 HydrophobicContact CZ-CG2 3.86Å; L1050-T1054 PolarHBondContact O-N 3.4Å; L1051-T1054 PolarHBondContact O-N 3.44Å; L1051-T1054 PolarHBondContact O-OG1 3.4Å; T1054-E1056 VanDerWaalsContact C-N 3.35Å; T1054-S1057 CarbonylContact O-C 3.57Å; T1054-S1057 PolarHBondContact O-N 3.29Å; T1054-S1057 VanDerWaalsContact O-O 3.1Å; T1054-I1065 HydrophobicContact CG2-CD1 3.73Å |
| 1055 | L | 71.4 | Confident | 74.9 | Confident | 42 Ų | 42 | 52.7 Ų | 52.7 | 22% | 0.22 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -69.5 | -30.9 | 176.5 | -80.7 | 168.8 | 0 | 0 | 0 | 112.8 | L1051 T1052 R1053 S1057 I1087 T1090 H1094 | L1051-L1055 PolarHBondContact O-N 2.78Å; T1052-L1055 WeakPolarHBondContact O-CB 3.48Å; T1052-L1055 PolarHBondContact O-N 3.48Å; R1053-L1055 PolarHBondContact O-N 3.07Å; L1055-S1057 PolarHBondContact O-N 3.49Å; L1055-I1087 HydrophobicContact CD1-CD1 3.65Å; L1055-T1090 HydrophobicContact CD1-CG2 4.11Å; L1055-H1094 HydrophobicContact CD2-CB 4.37Å |
| 1056 | E | 71.2 | Confident | 74.6 | Confident | 129 Ų | 129 | 48.1 Ų | 48.1 | 60% | 0.603 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -70.9 | -18.3 | 177.3 | -66.5 | 171.3 | 170.4 | 0 | 0 | 112.3 | T1052 R1053 T1054 | T1052-E1056 PolarHBondContact O-N 2.99Å; R1053-E1056 WeakPolarHBondContact CD-OE2 3.34Å; R1053-E1056 IonicContact CZ-OE2 3.56Å; R1053-E1056 IonicContact NE-OE2 3.43Å; R1053-E1056 VanDerWaalsContact NH1-CD 3.33Å; R1053-E1056 IonicContact NH1-OE1 2.59Å; R1053-E1056 PolarHBondContact NH1-OE1 3.03Å; R1053-E1056 IonicContact NH1-OE2 3.91Å; R1053-E1056 PolarHBondContact NH1-OE2 2.87Å; R1053-E1056 PolarHBondContact O-N 3Å; T1054-E1056 VanDerWaalsContact C-N 3.35Å |
| 1057 | S | 64.2 | Low | 74.5 | Confident | 29 Ų | 29 | 49 Ų | 49 | 20% | 0.203 | 25% | 0.254 | C | S | . | . | trans | -132.8 | 93.6 | -174.9 | 59.1 | 0 | 0 | 0 | 0 | 112.4 | R1053 T1054 L1055 E1059 L1060 | R1053-S1057 PolarHBondContact O-OG 3.23Å; T1054-S1057 CarbonylContact O-C 3.57Å; T1054-S1057 PolarHBondContact O-N 3.29Å; T1054-S1057 VanDerWaalsContact O-O 3.1Å; L1055-S1057 PolarHBondContact O-N 3.49Å; S1057-E1059 PolarHBondContact O-N 3Å; S1057-L1060 PolarHBondContact O-N 2.9Å; S1057-L1060 WeakPolarHBondContact OG-CD1 3.42Å | ||
| 1058 | C | 58 | Low | 74.2 | Confident | 102 Ų | 102 | 51.4 Ų | 51.4 | 69% | 0.689 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -12 | -175.1 | -70.6 | 0 | 0 | 0 | 0 | 115.8 | ||
| 1059 | E | 61.4 | Low | 74 | Confident | 170 Ų | 170 | 49.7 Ų | 49.7 | 79% | 0.794 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -14.6 | -178.1 | -62.3 | -174 | 169.3 | 0 | 0 | 113.7 | S1057 | S1057-E1059 PolarHBondContact O-N 3Š|
| 1060 | L | 59.3 | Low | 74 | Confident | 15 Ų | 15 | 44.8 Ų | 44.8 | 8% | 0.079 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -89.5 | 135.6 | -173.3 | -63 | 170.7 | 0 | 0 | 0 | 111.6 | R1020 L1021 F1024 S1057 S1062 | R1020-L1060 HydrophobicContact CB-CD1 4.4Å; R1020-L1060 HydrophobicContact CB-CD2 3.98Å; L1021-L1060 HydrophobicContact CD2-CD2 3.62Å; L1021-L1060 HydrophobicContact CG-CD2 3.97Å; F1024-L1060 HydrophobicContact CD2-CB 4.15Å; F1024-L1060 HydrophobicContact CD2-CD1 3.73Å; F1024-L1060 HydrophobicContact CD2-CD2 4.21Å; F1024-L1060 HydrophobicContact CD2-CG 4.24Å; F1024-L1060 HydrophobicContact CE2-CB 4.48Å; F1024-L1060 HydrophobicContact CE2-CD1 3.34Å; F1024-L1060 HydrophobicContact CE2-CG 4.31Å; F1024-L1060 HydrophobicContact CZ-CD1 4.27Å; S1057-L1060 PolarHBondContact O-N 2.9Å; S1057-L1060 WeakPolarHBondContact OG-CD1 3.42Å; L1060-S1062 PolarHBondContact O-N 3.49Å |
| 1061 | P | 63.9 | Low | 74 | Confident | 61 Ų | 61 | 50.3 Ų | 50.3 | 40% | 0.396 | 26% | 0.258 | S | S | . | . | trans | -75 | 96.4 | -177.8 | 30 | -32.4 | 0 | 0 | 0 | 110 | L1021 Q1063 | L1021-P1061 HydrophobicContact CD2-CG 3.78Å; P1061-Q1063 VanDerWaalsContact C-N 3.29Å; P1061-Q1063 PolarHBondContact O-N 3.42Å | ||
| 1062 | S | 68.6 | Low | 74 | Confident | 5 Ų | 5 | 50.9 Ų | 50.9 | 4% | 0.035 | 26% | 0.262 | C | S | . | . | trans | -78.8 | -9.6 | 177.5 | 54.2 | 0 | 0 | 0 | 0 | 114.2 | L1060 K1064 I1065 L1066 W1118 | L1060-S1062 PolarHBondContact O-N 3.49Å; S1062-K1064 PolarHBondContact O-N 3.48Å; S1062-I1065 PolarHBondContact O-N 3.33Å; S1062-L1066 WeakPolarHBondContact O-CG 3.18Å; S1062-L1066 PolarHBondContact O-N 2.67Å; S1062-W1118 WeakPolarHBondContact OG-CH2 2.95Å | ||
| 1063 | Q | 73.9 | Confident | 73.9 | Confident | 78 Ų | 78 | 51.5 Ų | 51.5 | 36% | 0.364 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -54.8 | -48.6 | -172.2 | -174.8 | -146.2 | -26.5 | 0 | 0 | 113.3 | P1061 L1066 T1067 V1117 W1118 V1121 | P1061-Q1063 VanDerWaalsContact C-N 3.29Å; P1061-Q1063 PolarHBondContact O-N 3.42Å; Q1063-L1066 PolarHBondContact O-N 2.62Å; Q1063-T1067 WeakPolarHBondContact O-CB 3.22Å; Q1063-T1067 PolarHBondContact O-N 3.06Å; Q1063-T1067 PolarHBondContact O-OG1 3.38Å; Q1063-V1117 HydrophobicContact CG-CG1 3.79Å; Q1063-W1118 HydrophobicContact CB-CH2 4.04Å; Q1063-W1118 HydrophobicContact CB-CZ2 4.09Å; Q1063-V1121 HydrophobicContact CG-CG2 3.64Å |
| 1064 | K | 74.3 | Confident | 74.2 | Confident | 60 Ų | 60 | 47.2 Ų | 47.2 | 26% | 0.261 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -70.6 | -40 | -173.5 | -172.8 | 162.6 | 170.6 | -168 | 0 | 112.4 | K1025 E1029 S1062 L1066 T1067 E1068 | K1025-K1064 HydrophobicContact CG-CD 4.37Å; K1025-K1064 WeakPolarHBondContact O-CD 3.4Å; K1025-K1064 WeakPolarHBondContact O-CE 3.16Å; K1025-K1064 PolarHBondContact O-NZ 3.04Å; E1029-K1064 IonicContact OE1-NZ 3.65Å; E1029-K1064 PolarHBondContact OE1-NZ 2.91Å; S1062-K1064 PolarHBondContact O-N 3.48Å; K1064-L1066 VanDerWaalsContact C-N 3.34Å; K1064-L1066 PolarHBondContact O-N 3.49Å; K1064-T1067 PolarHBondContact O-N 2.66Å; K1064-E1068 WeakPolarHBondContact CE-OE1 3.07Å; K1064-E1068 HydrophobicContact CG-CG 4.36Å; K1064-E1068 WeakPolarHBondContact O-CB 3.29Å; K1064-E1068 WeakPolarHBondContact O-CG 3.33Å; K1064-E1068 PolarHBondContact O-N 2.97Å |
| 1065 | I | 79.6 | Confident | 74.7 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.9 | -48.6 | 173.8 | -50 | 156.9 | 0 | 0 | 0 | 109.8 | F1024 P1028 L1050 L1051 T1054 S1062 T1069 | F1024-I1065 HydrophobicContact CB-CD1 3.97Å; F1024-I1065 HydrophobicContact CD1-CD1 3.36Å; F1024-I1065 HydrophobicContact CD1-CG1 4.49Å; F1024-I1065 HydrophobicContact CE1-CD1 4.21Å; F1024-I1065 HydrophobicContact CG-CD1 4.04Å; F1024-I1065 VanDerWaalsContact O-CG1 3.24Å; F1024-I1065 WeakPolarHBondContact O-CG1 3.38Å; P1028-I1065 HydrophobicContact CB-CG1 4.49Å; P1028-I1065 HydrophobicContact CG-CB 3.89Å; P1028-I1065 HydrophobicContact CG-CG1 3.35Å; P1028-I1065 HydrophobicContact CG-CG2 4.22Å; L1050-I1065 HydrophobicContact CD2-CG2 4.49Å; L1051-I1065 HydrophobicContact CD2-CB 4.24Å; L1051-I1065 HydrophobicContact CD2-CG2 3.7Å; L1051-I1065 HydrophobicContact CG-CG2 4.21Å; T1054-I1065 HydrophobicContact CG2-CD1 3.73Å; S1062-I1065 PolarHBondContact O-N 3.33Å; I1065-T1069 VanDerWaalsContact O-CB 3.23Å; I1065-T1069 WeakPolarHBondContact O-CB 3.5Å; I1065-T1069 PolarHBondContact O-N 3.38Å; I1065-T1069 PolarHBondContact O-OG1 3.14Å |
| 1066 | L | 82.2 | Confident | 75.1 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.4 | -51.2 | 178.6 | -70.5 | 168.5 | 0 | 0 | 0 | 110.6 | L1051 S1062 Q1063 K1064 E1068 T1069 I1070 I1088 W1118 V1121 | L1051-L1066 HydrophobicContact CD1-CD2 4.3Å; L1051-L1066 HydrophobicContact CD2-CD2 3.75Å; L1051-L1066 HydrophobicContact CD2-CG 4.14Å; S1062-L1066 WeakPolarHBondContact O-CG 3.18Å; S1062-L1066 PolarHBondContact O-N 2.67Å; Q1063-L1066 PolarHBondContact O-N 2.62Å; K1064-L1066 VanDerWaalsContact C-N 3.34Å; K1064-L1066 PolarHBondContact O-N 3.49Å; L1066-E1068 PolarHBondContact O-N 2.95Å; L1066-T1069 PolarHBondContact O-N 3.06Å; L1066-I1070 HydrophobicContact CB-CD1 4.47Å; L1066-I1070 WeakPolarHBondContact O-CB 3.43Å; L1066-I1070 VanDerWaalsContact O-CD1 3.3Å; L1066-I1070 WeakPolarHBondContact O-CD1 3.43Å; L1066-I1070 WeakPolarHBondContact O-CG1 3.49Å; L1066-I1070 PolarHBondContact O-N 3.34Å; L1066-I1088 HydrophobicContact CD2-CB 4.37Å; L1066-I1088 HydrophobicContact CD2-CG1 4.13Å; L1066-I1088 HydrophobicContact CD2-CG2 4.17Å; L1066-W1118 HydrophobicContact CD1-CH2 4.15Å; L1066-W1118 HydrophobicContact CD1-CZ3 3.78Å; L1066-V1121 HydrophobicContact CB-CG1 4.1Å |
| 1067 | T | 81.8 | Confident | 75.7 | Confident | 35 Ų | 35 | 45 Ų | 45 | 22% | 0.215 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.5 | -48.5 | -178.1 | -51.8 | 0 | 0 | 0 | 0 | 111.5 | Q1063 K1064 I1070 H1071 | Q1063-T1067 WeakPolarHBondContact O-CB 3.22Å; Q1063-T1067 PolarHBondContact O-N 3.06Å; Q1063-T1067 PolarHBondContact O-OG1 3.38Å; K1064-T1067 PolarHBondContact O-N 2.66Å; T1067-I1070 PolarHBondContact O-N 3.47Å; T1067-H1071 PolarHBondContact O-N 3.2Å; T1067-H1071 VanDerWaalsContact O-N 3.09Å; T1067-H1071 PolarHBondContact O-ND1 3.33Å |
| 1068 | E | 80 | Confident | 76.4 | Confident | 53 Ų | 53 | 46.1 Ų | 46.1 | 25% | 0.248 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -71.3 | -33.6 | -178.4 | -69.5 | -173.2 | -166.9 | 0 | 0 | 112.5 | P1028 E1029 K1064 L1066 S1072 | P1028-E1068 HydrophobicContact CB-CB 4.28Å; P1028-E1068 VanDerWaalsContact CB-OE2 3.24Å; P1028-E1068 WeakPolarHBondContact CB-OE2 3.48Å; E1029-E1068 WeakPolarHBondContact CA-OE2 3.47Å; E1029-E1068 PolarHBondContact N-OE2 2.66Å; K1064-E1068 WeakPolarHBondContact CE-OE1 3.07Å; K1064-E1068 HydrophobicContact CG-CG 4.36Å; K1064-E1068 WeakPolarHBondContact O-CB 3.29Å; K1064-E1068 WeakPolarHBondContact O-CG 3.33Å; K1064-E1068 PolarHBondContact O-N 2.97Å; L1066-E1068 PolarHBondContact O-N 2.95Å; E1068-S1072 VanDerWaalsContact O-CB 3.26Å; E1068-S1072 WeakPolarHBondContact O-CB 3.46Å; E1068-S1072 PolarHBondContact O-N 3.21Å; E1068-S1072 VanDerWaalsContact O-N 3.11Å |
| 1069 | T | 82.2 | Confident | 77.4 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.7 | -44.7 | 173.6 | -56.8 | 0 | 0 | 0 | 0 | 110.9 | I1047 I1065 L1066 S1072 L1084 I1088 | I1047-T1069 HydrophobicContact CD1-CG2 4.47Å; I1047-T1069 HydrophobicContact CG2-CG2 3.85Å; I1065-T1069 VanDerWaalsContact O-CB 3.23Å; I1065-T1069 WeakPolarHBondContact O-CB 3.5Å; I1065-T1069 PolarHBondContact O-N 3.38Å; I1065-T1069 PolarHBondContact O-OG1 3.14Å; L1066-T1069 PolarHBondContact O-N 3.06Å; T1069-S1072 WeakPolarHBondContact O-CB 3.22Å; T1069-S1072 PolarHBondContact O-N 3.34Å; T1069-S1072 PolarHBondContact O-OG 3.01Å; T1069-L1084 HydrophobicContact CG2-CD1 4.04Å; T1069-L1084 HydrophobicContact CG2-CD2 3.97Å; T1069-I1088 HydrophobicContact CG2-CD1 4Å |
| 1070 | I | 84.3 | Confident | 78.6 | Confident | 3 Ų | 3 | 40.4 Ų | 40.4 | 2% | 0.015 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.7 | -46.2 | 179.5 | -70.5 | 161.5 | 0 | 0 | 0 | 111.4 | L1066 T1067 S1072 F1075 I1088 V1121 S1124 F1125 S1128 | L1066-I1070 HydrophobicContact CB-CD1 4.47Å; L1066-I1070 WeakPolarHBondContact O-CB 3.43Å; L1066-I1070 VanDerWaalsContact O-CD1 3.3Å; L1066-I1070 WeakPolarHBondContact O-CD1 3.43Å; L1066-I1070 WeakPolarHBondContact O-CG1 3.49Å; L1066-I1070 PolarHBondContact O-N 3.34Å; T1067-I1070 PolarHBondContact O-N 3.47Å; I1070-S1072 VanDerWaalsContact C-N 3.26Å; I1070-S1072 PolarHBondContact O-N 3.43Å; I1070-F1075 WeakPolarHBondContact O-CB 3.37Å; I1070-I1088 HydrophobicContact CD1-CG2 4.32Å; I1070-I1088 HydrophobicContact CG1-CD1 4.37Å; I1070-I1088 HydrophobicContact CG1-CG2 4.37Å; I1070-V1121 HydrophobicContact CD1-CG1 4.02Å; I1070-S1124 WeakPolarHBondContact CG2-O 3.21Å; I1070-S1124 WeakPolarHBondContact CG2-OG 3.37Å; I1070-F1125 HydrophobicContact CD1-CB 3.82Å; I1070-F1125 HydrophobicContact CD1-CD2 4.42Å; I1070-F1125 HydrophobicContact CG1-CB 4.47Å; I1070-F1125 HydrophobicContact CG1-CD2 4.38Å; I1070-S1128 VanDerWaalsContact CG2-OG 3.25Å; I1070-S1128 WeakPolarHBondContact CG2-OG 3.31Å |
| 1071 | H | 81.4 | Confident | 79.9 | Confident | 122 Ų | 122 | 39.9 Ų | 39.9 | 57% | 0.565 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -3.4 | 179.6 | -64.5 | 96 | 0 | 0 | 0 | 114 | T1067 S1124 | T1067-H1071 PolarHBondContact O-N 3.2Å; T1067-H1071 VanDerWaalsContact O-N 3.09Å; T1067-H1071 PolarHBondContact O-ND1 3.33Å; H1071-S1124 PolarHBondContact CE1-OG 2.82Å; H1071-S1124 PolarHBondContact NE2-OG 2.73Å |
| 1072 | S | 82.5 | Confident | 80.8 | Confident | 12 Ų | 12 | 43.1 Ų | 43.1 | 8% | 0.084 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -79 | 157.8 | -177.7 | 75.3 | 0 | 0 | 0 | 0 | 112.5 | E1068 T1069 I1070 L1074 F1075 | E1068-S1072 VanDerWaalsContact O-CB 3.26Å; E1068-S1072 WeakPolarHBondContact O-CB 3.46Å; E1068-S1072 PolarHBondContact O-N 3.21Å; E1068-S1072 VanDerWaalsContact O-N 3.11Å; T1069-S1072 WeakPolarHBondContact O-CB 3.22Å; T1069-S1072 PolarHBondContact O-N 3.34Å; T1069-S1072 PolarHBondContact O-OG 3.01Å; I1070-S1072 VanDerWaalsContact C-N 3.26Å; I1070-S1072 PolarHBondContact O-N 3.43Å; S1072-L1074 PolarHBondContact O-N 2.96Å; S1072-L1074 VanDerWaalsContact OG-CB 3.31Å; S1072-L1074 WeakPolarHBondContact OG-CB 3.43Å; S1072-L1074 PolarHBondContact OG-N 3.47Å; S1072-F1075 PolarHBondContact O-N 3.43Å |
| 1073 | T | 79.7 | Confident | 81.5 | Confident | 66 Ų | 66 | 46.2 Ų | 46.2 | 41% | 0.405 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.9 | -4.2 | 170.3 | 59.5 | 0 | 0 | 0 | 0 | 113.7 | T1076 | T1073-T1076 PolarHBondContact O-OG1 2.84Å |
| 1074 | L | 83.4 | Confident | 82.1 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -74.1 | -33.8 | 172 | -59.1 | 173.9 | 0 | 0 | 0 | 110.6 | I1031 T1035 K1040 L1043 I1047 S1072 T1076 C1080 L1084 | I1031-L1074 HydrophobicContact CG2-CD1 3.75Å; T1035-L1074 HydrophobicContact CG2-CD1 4.25Å; T1035-L1074 HydrophobicContact CG2-CD2 3.69Å; T1035-L1074 HydrophobicContact CG2-CG 3.76Å; K1040-L1074 HydrophobicContact CB-CD2 3.67Å; K1040-L1074 HydrophobicContact CG-CD2 3.99Å; L1043-L1074 HydrophobicContact CB-CD2 4.46Å; L1043-L1074 HydrophobicContact CD2-CD1 3.91Å; L1043-L1074 HydrophobicContact CD2-CD2 4.3Å; L1043-L1074 HydrophobicContact CG-CD1 3.96Å; I1047-L1074 HydrophobicContact CD1-CD1 3.34Å; S1072-L1074 PolarHBondContact O-N 2.96Å; S1072-L1074 VanDerWaalsContact OG-CB 3.31Å; S1072-L1074 WeakPolarHBondContact OG-CB 3.43Å; S1072-L1074 PolarHBondContact OG-N 3.47Å; L1074-T1076 VanDerWaalsContact C-N 3.34Å; L1074-C1080 WeakPolarHBondContact O-CB 3.23Å; L1074-L1084 HydrophobicContact CB-CD1 4.02Å |
| 1075 | F | 84.8 | Confident | 82.7 | Confident | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.009 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -74.8 | -25.7 | -178.3 | -161.3 | -91.6 | 0 | 0 | 0 | 112.7 | I1070 S1072 R1081 V1085 I1088 F1125 F1129 A1132 | I1070-F1075 WeakPolarHBondContact O-CB 3.37Å; S1072-F1075 PolarHBondContact O-N 3.43Å; F1075-R1081 HydrophobicContact CE2-CG 4.49Å; F1075-R1081 HydrophobicContact CZ-CG 4.41Å; F1075-V1085 HydrophobicContact CE2-CG2 3.81Å; F1075-V1085 HydrophobicContact CZ-CG2 3.93Å; F1075-I1088 HydrophobicContact CD2-CD1 4.28Å; F1075-I1088 HydrophobicContact CE2-CD1 4.15Å; F1075-F1125 HydrophobicContact CE2-CD2 4.4Å; F1075-F1125 HydrophobicContact CE2-CE2 4.22Å; F1075-F1125 HydrophobicContact CZ-CD2 4.25Å; F1075-F1125 HydrophobicContact CZ-CE2 4.08Å; F1075-F1129 HydrophobicContact CE1-CB 4.18Å; F1075-F1129 HydrophobicContact CZ-CB 4.22Å; F1075-F1129 HydrophobicContact CZ-CD2 4.25Å; F1075-A1132 HydrophobicContact CD1-CB 4.4Å |
| 1076 | T | 81.4 | Confident | 82.9 | Confident | 86 Ų | 86 | 42.5 Ų | 42.5 | 53% | 0.528 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -72.1 | -28.7 | 176.3 | 54.2 | 0 | 0 | 0 | 0 | 113.3 | T1073 L1074 R1081 | T1073-T1076 PolarHBondContact O-OG1 2.84Å; L1074-T1076 VanDerWaalsContact C-N 3.34Å; T1076-R1081 PolarHBondContact O-NH1 2.87Å |
| 1077 | D | 81.9 | Confident | 83 | Confident | 44 Ų | 44 | 43.5 Ų | 43.5 | 24% | 0.235 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -78.7 | 121.7 | 179.4 | 176.8 | -9.2 | 0 | 0 | 0 | 110.5 | K1079 C1080 R1081 | D1077-K1079 VanDerWaalsContact C-N 3.31Å; D1077-K1079 PolarHBondContact O-N 3.15Å; D1077-K1079 PolarHBondContact OD1-N 3.42Å; D1077-C1080 HydrophobicContact CB-CB 4.12Å; D1077-C1080 PolarHBondContact O-N 2.9Å; D1077-C1080 PolarHBondContact OD2-SG 3.49Å; D1077-C1080 VanDerWaalsContact OD2-SG 3.4Å; D1077-R1081 WeakPolarHBondContact O-CB 3.5Å; D1077-R1081 PolarHBondContact O-N 3.48Å |
| 1078 | P | 79.5 | Confident | 83.2 | Confident | 52 Ų | 52 | 41.9 Ų | 41.9 | 34% | 0.338 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -59.4 | -36 | -175.7 | 23.3 | -33.9 | 0 | 0 | 0 | 113.6 | R1081 R1082 | P1078-R1081 PolarHBondContact O-N 2.73Å; P1078-R1082 WeakPolarHBondContact O-CG 3.46Å; P1078-R1082 PolarHBondContact O-N 2.7Å |
| 1079 | K | 80.1 | Confident | 83.4 | Confident | 153 Ų | 153 | 40 Ų | 40 | 67% | 0.665 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -68.5 | -40.5 | 179.7 | -69.5 | -177.2 | -179.7 | 177.7 | 0 | 111.6 | L1041 D1077 | L1041-K1079 HydrophobicContact CD1-CB 4.3Å; D1077-K1079 VanDerWaalsContact C-N 3.31Å; D1077-K1079 PolarHBondContact O-N 3.15Å; D1077-K1079 PolarHBondContact OD1-N 3.42Å |
| 1080 | C | 85.7 | Confident | 83.5 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -71.4 | -40.7 | 176.4 | -63.8 | 0 | 0 | 0 | 0 | 111.1 | L1074 D1077 R1082 L1083 L1084 | L1074-C1080 WeakPolarHBondContact O-CB 3.23Å; D1077-C1080 HydrophobicContact CB-CB 4.12Å; D1077-C1080 PolarHBondContact O-N 2.9Å; D1077-C1080 PolarHBondContact OD2-SG 3.49Å; D1077-C1080 VanDerWaalsContact OD2-SG 3.4Å; C1080-R1082 PolarHBondContact O-N 3.38Å; C1080-L1083 WeakPolarHBondContact O-CB 3.24Å; C1080-L1083 PolarHBondContact O-N 2.84Å; C1080-L1083 VanDerWaalsContact O-N 3.12Å; C1080-L1084 WeakPolarHBondContact O-CG 3.32Å; C1080-L1084 PolarHBondContact O-N 2.98Å |
| 1081 | R | 86.9 | Confident | 83.4 | Confident | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.015 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.6 | -43.7 | 177.6 | -174.3 | 173.5 | 59.8 | -121.2 | 7.7 | 112.3 | F1075 T1076 D1077 P1078 L1083 L1084 V1085 E1208 | F1075-R1081 HydrophobicContact CE2-CG 4.49Å; F1075-R1081 HydrophobicContact CZ-CG 4.41Å; T1076-R1081 PolarHBondContact O-NH1 2.87Å; D1077-R1081 WeakPolarHBondContact O-CB 3.5Å; D1077-R1081 PolarHBondContact O-N 3.48Å; P1078-R1081 PolarHBondContact O-N 2.73Å; R1081-L1083 PolarHBondContact O-N 3.44Å; R1081-L1084 PolarHBondContact O-N 3.4Å; R1081-L1084 VanDerWaalsContact O-N 3.15Å; R1081-V1085 HydrophobicContact CG-CG2 3.47Å; R1081-V1085 VanDerWaalsContact CG-CG2 3.47Å; R1081-V1085 WeakPolarHBondContact O-CB 3.15Å; R1081-V1085 VanDerWaalsContact O-CG2 3.3Å; R1081-V1085 WeakPolarHBondContact O-CG2 3.39Å; R1081-V1085 PolarHBondContact O-N 3.31Å; R1081-E1208 IonicContact CZ-OE2 3.76Å; R1081-E1208 VanDerWaalsContact CZ-OE2 3.29Å; R1081-E1208 IonicContact NE-OE2 2.95Å; R1081-E1208 PolarHBondContact NE-OE2 2.96Å; R1081-E1208 IonicContact NH2-OE1 3.95Å; R1081-E1208 IonicContact NH2-OE2 2.71Å; R1081-E1208 PolarHBondContact NH2-OE2 3.42Å |
| 1082 | R | 82.1 | Confident | 83.5 | Confident | 128 Ų | 128 | 37.6 Ų | 37.6 | 48% | 0.483 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -58.3 | -30.1 | 175.9 | -74 | 176.3 | -175.6 | -170.2 | -3.4 | 113.1 | P1078 C1080 P1086 D1204 E1208 | P1078-R1082 WeakPolarHBondContact O-CG 3.46Å; P1078-R1082 PolarHBondContact O-N 2.7Å; C1080-R1082 PolarHBondContact O-N 3.38Å; R1082-P1086 WeakPolarHBondContact O-CD 3.43Å; R1082-D1204 IonicContact CZ-OD1 2.77Å; R1082-D1204 IonicContact NH2-OD1 2.77Å; R1082-D1204 PolarHBondContact NH2-OD1 3.33Å; R1082-E1208 IonicContact CZ-OE1 3.91Å; R1082-E1208 IonicContact NE-OE1 3.08Å; R1082-E1208 PolarHBondContact NE-OE1 3.31Å; R1082-E1208 IonicContact NH2-OE1 2.7Å; R1082-E1208 PolarHBondContact NH2-OE1 3.28Å |
| 1083 | L | 83.4 | Confident | 83.7 | Confident | 70 Ų | 70 | 38 Ų | 38 | 37% | 0.366 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -82.2 | -38.4 | 174.7 | -64.7 | 175.5 | 0 | 0 | 0 | 112.8 | L1041 Q1045 V1048 C1080 R1081 | L1041-L1083 HydrophobicContact CD1-CD1 3.73Å; Q1045-L1083 HydrophobicContact CG-CD1 4.12Å; V1048-L1083 HydrophobicContact CG2-CB 4.41Å; C1080-L1083 WeakPolarHBondContact O-CB 3.24Å; C1080-L1083 PolarHBondContact O-N 2.84Å; C1080-L1083 VanDerWaalsContact O-N 3.12Å; R1081-L1083 PolarHBondContact O-N 3.44Å |
| 1084 | L | 86.6 | Confident | 83.8 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -82.5 | -37 | -172.5 | -69.5 | 170 | 0 | 0 | 0 | 113.8 | I1047 V1048 T1069 L1074 C1080 R1081 I1087 I1088 | I1047-L1084 HydrophobicContact CB-CD2 4.16Å; I1047-L1084 HydrophobicContact CG2-CD2 3.87Å; V1048-L1084 HydrophobicContact CG2-CD2 4.02Å; T1069-L1084 HydrophobicContact CG2-CD1 4.04Å; T1069-L1084 HydrophobicContact CG2-CD2 3.97Å; L1074-L1084 HydrophobicContact CB-CD1 4.02Å; C1080-L1084 WeakPolarHBondContact O-CG 3.32Å; C1080-L1084 PolarHBondContact O-N 2.98Å; R1081-L1084 PolarHBondContact O-N 3.4Å; R1081-L1084 VanDerWaalsContact O-N 3.15Å; L1084-I1087 WeakPolarHBondContact O-CG2 3.4Å; L1084-I1087 PolarHBondContact O-N 2.96Å; L1084-I1088 HydrophobicContact CB-CD1 3.93Å; L1084-I1088 WeakPolarHBondContact O-CB 3.42Å; L1084-I1088 WeakPolarHBondContact O-CG1 3.34Å; L1084-I1088 PolarHBondContact O-N 2.97Å |
| 1085 | V | 86.6 | Confident | 83.8 | Confident | 13 Ų | 13 | 40.5 Ų | 40.5 | 8% | 0.079 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.9 | -47.6 | -173.1 | 165.3 | 0 | 0 | 0 | 0 | 113.1 | F1075 R1081 I1087 I1088 Q1089 F1125 F1129 L1212 | F1075-V1085 HydrophobicContact CE2-CG2 3.81Å; F1075-V1085 HydrophobicContact CZ-CG2 3.93Å; R1081-V1085 HydrophobicContact CG-CG2 3.47Å; R1081-V1085 VanDerWaalsContact CG-CG2 3.47Å; R1081-V1085 WeakPolarHBondContact O-CB 3.15Å; R1081-V1085 VanDerWaalsContact O-CG2 3.3Å; R1081-V1085 WeakPolarHBondContact O-CG2 3.39Å; R1081-V1085 PolarHBondContact O-N 3.31Å; V1085-I1087 PolarHBondContact O-N 3.2Å; V1085-I1088 PolarHBondContact O-N 2.65Å; V1085-Q1089 VanDerWaalsContact O-CB 3.31Å; V1085-Q1089 WeakPolarHBondContact O-CB 3.47Å; V1085-Q1089 PolarHBondContact O-N 3.47Å; V1085-F1125 HydrophobicContact CG1-CZ 4.43Å; V1085-F1129 HydrophobicContact CG2-CD2 4.34Å; V1085-F1129 HydrophobicContact CG2-CE2 4.46Å; V1085-L1212 HydrophobicContact CG1-CB 4.41Å; V1085-L1212 HydrophobicContact CG1-CD1 3.57Å; V1085-L1212 HydrophobicContact CG1-CD2 4.07Å; V1085-L1212 HydrophobicContact CG1-CG 4.22Å |
| 1086 | P | 83.9 | Confident | 83.9 | Confident | 49 Ų | 49 | 40.4 Ų | 40.4 | 32% | 0.318 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -59.8 | -45.7 | -179.6 | -24.9 | 35 | 0 | 0 | 0 | 112.9 | R1082 Q1089 T1090 | R1082-P1086 WeakPolarHBondContact O-CD 3.43Å; P1086-Q1089 PolarHBondContact O-N 3.22Å; P1086-T1090 PolarHBondContact O-N 3.16Å; P1086-T1090 PolarHBondContact O-OG1 2.87Å |
| 1087 | I | 84.7 | Confident | 84.1 | Confident | 22 Ų | 22 | 37.2 Ų | 37.2 | 11% | 0.113 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -71.1 | -38.3 | -178.2 | -166.6 | 66.7 | 0 | 0 | 0 | 112.1 | V1048 L1051 T1052 L1055 L1084 V1085 Q1089 T1090 S1091 | V1048-I1087 HydrophobicContact CB-CG2 4.43Å; V1048-I1087 HydrophobicContact CG1-CB 4.49Å; V1048-I1087 HydrophobicContact CG1-CG2 4.34Å; V1048-I1087 HydrophobicContact CG2-CG2 3.95Å; L1051-I1087 HydrophobicContact CB-CG1 3.81Å; L1051-I1087 HydrophobicContact CD1-CG2 3.98Å; T1052-I1087 WeakPolarHBondContact OG1-CD1 3.38Å; L1055-I1087 HydrophobicContact CD1-CD1 3.65Å; L1084-I1087 WeakPolarHBondContact O-CG2 3.4Å; L1084-I1087 PolarHBondContact O-N 2.96Å; V1085-I1087 PolarHBondContact O-N 3.2Å; I1087-Q1089 VanDerWaalsContact C-N 3.34Å; I1087-T1090 PolarHBondContact O-N 3.02Å; I1087-S1091 WeakPolarHBondContact O-CB 3.27Å; I1087-S1091 PolarHBondContact O-N 3.44Å |
| 1088 | I | 85.7 | Confident | 84.2 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.5 | -45.7 | 175.6 | -71.6 | 169.9 | 0 | 0 | 0 | 109.5 | L1051 L1066 T1069 I1070 F1075 L1084 V1085 S1091 L1092 F1125 | L1051-I1088 HydrophobicContact CD1-CG1 4.05Å; L1066-I1088 HydrophobicContact CD2-CB 4.37Å; L1066-I1088 HydrophobicContact CD2-CG1 4.13Å; L1066-I1088 HydrophobicContact CD2-CG2 4.17Å; T1069-I1088 HydrophobicContact CG2-CD1 4Å; I1070-I1088 HydrophobicContact CD1-CG2 4.32Å; I1070-I1088 HydrophobicContact CG1-CD1 4.37Å; I1070-I1088 HydrophobicContact CG1-CG2 4.37Å; F1075-I1088 HydrophobicContact CD2-CD1 4.28Å; F1075-I1088 HydrophobicContact CE2-CD1 4.15Å; L1084-I1088 HydrophobicContact CB-CD1 3.93Å; L1084-I1088 WeakPolarHBondContact O-CB 3.42Å; L1084-I1088 WeakPolarHBondContact O-CG1 3.34Å; L1084-I1088 PolarHBondContact O-N 2.97Å; V1085-I1088 PolarHBondContact O-N 2.65Å; I1088-S1091 PolarHBondContact O-N 3.34Å; I1088-L1092 WeakPolarHBondContact O-CB 3.41Å; I1088-L1092 PolarHBondContact O-N 3.32Å; I1088-F1125 HydrophobicContact CB-CE2 4.44Å; I1088-F1125 HydrophobicContact CG2-CD2 3.59Å; I1088-F1125 HydrophobicContact CG2-CE2 3.73Å; I1088-F1125 HydrophobicContact CG2-CG 4.39Å |
| 1089 | Q | 85.2 | Confident | 84.3 | Confident | 12 Ų | 12 | 38 Ų | 38 | 6% | 0.056 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.5 | -49.1 | 178.4 | -171.8 | -158.5 | -22.6 | 0 | 0 | 111.7 | V1085 P1086 I1087 S1091 L1092 T1093 L1212 C1216 F1218 | V1085-Q1089 VanDerWaalsContact O-CB 3.31Å; V1085-Q1089 WeakPolarHBondContact O-CB 3.47Å; V1085-Q1089 PolarHBondContact O-N 3.47Å; P1086-Q1089 PolarHBondContact O-N 3.22Å; I1087-Q1089 VanDerWaalsContact C-N 3.34Å; Q1089-S1091 VanDerWaalsContact C-N 3.32Å; Q1089-S1091 PolarHBondContact O-N 3.05Å; Q1089-L1092 PolarHBondContact O-N 2.92Å; Q1089-T1093 HydrophobicContact CG-CG2 4.11Å; Q1089-T1093 WeakPolarHBondContact O-CB 2.97Å; Q1089-T1093 VanDerWaalsContact O-CG2 3.22Å; Q1089-T1093 WeakPolarHBondContact O-CG2 3.33Å; Q1089-T1093 PolarHBondContact O-N 3.41Å; Q1089-T1093 PolarHBondContact O-OG1 2.76Å; Q1089-L1212 HydrophobicContact CB-CD1 4.37Å; Q1089-L1212 HydrophobicContact CG-CD1 4.19Å; Q1089-C1216 PolarHBondContact NE2-O 3.34Å; Q1089-F1218 HydrophobicContact CG-CD2 3.84Å |
| 1090 | T | 83.5 | Confident | 84.6 | Confident | 75 Ų | 75 | 30.7 Ų | 30.7 | 46% | 0.46 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -58.9 | -43.7 | 177.4 | -56.8 | 0 | 0 | 0 | 0 | 111.7 | L1055 P1086 I1087 T1093 H1094 | L1055-T1090 HydrophobicContact CD1-CG2 4.11Å; P1086-T1090 PolarHBondContact O-N 3.16Å; P1086-T1090 PolarHBondContact O-OG1 2.87Å; I1087-T1090 PolarHBondContact O-N 3.02Å; T1090-T1093 PolarHBondContact O-OG1 3.33Å; T1090-H1094 WeakPolarHBondContact O-CB 3.41Å; T1090-H1094 PolarHBondContact O-N 3.03Å |
| 1091 | S | 82 | Confident | 84.5 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.007 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63 | -50.3 | 176.7 | -169.5 | 0 | 0 | 0 | 0 | 112.3 | I1087 I1088 Q1089 V1095 | I1087-S1091 WeakPolarHBondContact O-CB 3.27Å; I1087-S1091 PolarHBondContact O-N 3.44Å; I1088-S1091 PolarHBondContact O-N 3.34Å; Q1089-S1091 VanDerWaalsContact C-N 3.32Å; Q1089-S1091 PolarHBondContact O-N 3.05Å; S1091-V1095 WeakPolarHBondContact O-CB 3.47Å; S1091-V1095 VanDerWaalsContact O-CG2 3.25Å; S1091-V1095 WeakPolarHBondContact O-CG2 3.19Å; S1091-V1095 PolarHBondContact O-N 3.27Å |
| 1092 | L | 84.2 | Confident | 84.2 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.2 | -47.4 | -177.7 | -174.8 | 64.7 | 0 | 0 | 0 | 111.6 | I1088 Q1089 F1096 W1118 V1121 L1122 F1125 | I1088-L1092 WeakPolarHBondContact O-CB 3.41Å; I1088-L1092 PolarHBondContact O-N 3.32Å; Q1089-L1092 PolarHBondContact O-N 2.92Å; L1092-F1096 WeakPolarHBondContact O-CB 3.33Å; L1092-F1096 PolarHBondContact O-N 3.41Å; L1092-W1118 HydrophobicContact CD1-CE3 4.02Å; L1092-W1118 HydrophobicContact CD1-CZ3 4.26Å; L1092-V1121 HydrophobicContact CD1-CB 4.26Å; L1092-V1121 HydrophobicContact CD1-CG1 3.8Å; L1092-L1122 HydrophobicContact CD2-CB 4.35Å; L1092-L1122 HydrophobicContact CD2-CD1 3.48Å; L1092-L1122 VanDerWaalsContact CD2-CD1 3.48Å; L1092-L1122 HydrophobicContact CG-CD1 4.15Å; L1092-F1125 HydrophobicContact CD2-CB 4.16Å; L1092-F1125 HydrophobicContact CD2-CD1 4.07Å; L1092-F1125 HydrophobicContact CD2-CG 4.19Å |
| 1093 | T | 86.4 | Confident | 84.3 | Confident | 21 Ų | 21 | 32.7 Ų | 32.7 | 13% | 0.129 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.7 | -43.7 | -179.2 | 54.1 | 0 | 0 | 0 | 0 | 112.1 | Q1089 T1090 T1097 F1218 W1221 | Q1089-T1093 HydrophobicContact CG-CG2 4.11Å; Q1089-T1093 WeakPolarHBondContact O-CB 2.97Å; Q1089-T1093 VanDerWaalsContact O-CG2 3.22Å; Q1089-T1093 WeakPolarHBondContact O-CG2 3.33Å; Q1089-T1093 PolarHBondContact O-N 3.41Å; Q1089-T1093 PolarHBondContact O-OG1 2.76Å; T1090-T1093 PolarHBondContact O-OG1 3.33Å; T1093-T1097 VanDerWaalsContact O-CB 3.31Å; T1093-T1097 WeakPolarHBondContact O-CB 3.18Å; T1093-T1097 PolarHBondContact O-N 3.18Å; T1093-T1097 PolarHBondContact O-OG1 3.27Å; T1093-F1218 HydrophobicContact CG2-CD2 4.28Å; T1093-F1218 HydrophobicContact CG2-CE2 4.49Å; T1093-W1221 HydrophobicContact CG2-CD2 3.56Å; T1093-W1221 HydrophobicContact CG2-CE3 3.78Å; T1093-W1221 HydrophobicContact CG2-CG 3.97Å; T1093-W1221 HydrophobicContact CG2-CH2 4.35Å; T1093-W1221 HydrophobicContact CG2-CZ2 4.15Å; T1093-W1221 HydrophobicContact CG2-CZ3 4.17Å |
| 1094 | H | 82.8 | Confident | 84.3 | Confident | 92 Ų | 92 | 30.6 Ų | 30.6 | 43% | 0.426 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -62.9 | -50.3 | 178 | -179 | -96.1 | 0 | 0 | 0 | 111.5 | L1055 T1090 T1097 A1098 | L1055-H1094 HydrophobicContact CD2-CB 4.37Å; T1090-H1094 WeakPolarHBondContact O-CB 3.41Å; T1090-H1094 PolarHBondContact O-N 3.03Å; H1094-T1097 PolarHBondContact O-N 3.14Å; H1094-A1098 WeakPolarHBondContact O-CB 3.49Å; H1094-A1098 PolarHBondContact O-N 2.92Å |
| 1095 | V | 82.1 | Confident | 83.9 | Confident | 26 Ų | 26 | 35 Ų | 35 | 16% | 0.158 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68.4 | -44.1 | -177.4 | 178.8 | 0 | 0 | 0 | 0 | 111.5 | S1091 T1097 A1098 K1099 W1118 | S1091-V1095 WeakPolarHBondContact O-CB 3.47Å; S1091-V1095 VanDerWaalsContact O-CG2 3.25Å; S1091-V1095 WeakPolarHBondContact O-CG2 3.19Å; S1091-V1095 PolarHBondContact O-N 3.27Å; V1095-T1097 VanDerWaalsContact C-N 3.33Å; V1095-T1097 PolarHBondContact O-N 2.71Å; V1095-A1098 PolarHBondContact O-N 3.32Å; V1095-K1099 HydrophobicContact CG1-CG 4.19Å; V1095-K1099 WeakPolarHBondContact O-CB 3.16Å; V1095-K1099 VanDerWaalsContact O-CG 3.26Å; V1095-K1099 WeakPolarHBondContact O-CG 3.39Å; V1095-K1099 PolarHBondContact O-N 3.45Å; V1095-W1118 HydrophobicContact CB-CH2 4.19Å; V1095-W1118 HydrophobicContact CB-CZ2 4.42Å; V1095-W1118 HydrophobicContact CB-CZ3 4.33Å; V1095-W1118 HydrophobicContact CG1-CD2 4.1Å; V1095-W1118 HydrophobicContact CG1-CE3 4.28Å; V1095-W1118 HydrophobicContact CG1-CH2 3.57Å; V1095-W1118 HydrophobicContact CG1-CZ2 3.34Å; V1095-W1118 HydrophobicContact CG1-CZ3 4.02Å |
| 1096 | F | 87.2 | Confident | 82.8 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.1 | -43.7 | 177.6 | -173.1 | -78.3 | 0 | 0 | 0 | 111.3 | L1092 K1099 L1100 M1115 W1118 L1122 W1221 Q1225 I1297 L1301 | L1092-F1096 WeakPolarHBondContact O-CB 3.33Å; L1092-F1096 PolarHBondContact O-N 3.41Å; F1096-K1099 PolarHBondContact O-N 3.01Å; F1096-L1100 HydrophobicContact CE1-CB 4.49Å; F1096-L1100 HydrophobicContact CE1-CD2 4.22Å; F1096-L1100 VanDerWaalsContact O-CB 3.29Å; F1096-L1100 WeakPolarHBondContact O-CB 3.31Å; F1096-L1100 PolarHBondContact O-N 3.36Å; F1096-M1115 HydrophobicContact CD1-CE 4.26Å; F1096-M1115 HydrophobicContact CD2-CE 4.03Å; F1096-M1115 HydrophobicContact CE1-CE 3.87Å; F1096-M1115 HydrophobicContact CE2-CE 3.6Å; F1096-M1115 HydrophobicContact CG-CE 4.34Å; F1096-M1115 HydrophobicContact CZ-CE 3.51Å; F1096-W1118 HydrophobicContact CD2-CB 4.02Å; F1096-L1122 HydrophobicContact CD2-CD2 4.47Å; F1096-L1122 HydrophobicContact CE2-CD2 4.15Å; F1096-W1221 HydrophobicContact CB-CH2 3.84Å; F1096-W1221 HydrophobicContact CB-CZ2 3.85Å; F1096-W1221 AromaticContact CD1-CH2 3.5Å; F1096-W1221 HydrophobicContact CD1-CH2 3.5Å; F1096-W1221 AromaticContact CD1-CZ2 3.62Å; F1096-W1221 HydrophobicContact CD1-CZ2 3.62Å; F1096-W1221 HydrophobicContact CD2-CH2 4.49Å; F1096-W1221 HydrophobicContact CE1-CH2 4.16Å; F1096-W1221 AromaticContact CG-CH2 3.7Å; F1096-W1221 HydrophobicContact CG-CH2 3.7Å; F1096-W1221 AromaticContact CG-CZ2 4Å; F1096-W1221 HydrophobicContact CG-CZ2 4Å; F1096-Q1225 HydrophobicContact CE1-CB 4.49Å; F1096-I1297 HydrophobicContact CZ-CG2 4.17Å; F1096-L1301 HydrophobicContact CE1-CD1 4.28Å; F1096-L1301 HydrophobicContact CE1-CD2 4.02Å; F1096-L1301 HydrophobicContact CZ-CD1 4.23Å; F1096-L1301 HydrophobicContact CZ-CD2 3.86Å; F1096-L1301 HydrophobicContact CZ-CG 4.13Å |
| 1097 | T | 86.6 | Confident | 81.8 | Confident | 19 Ų | 19 | 43.1 Ų | 43.1 | 12% | 0.117 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61 | -50.1 | 177.2 | -53.5 | 0 | 0 | 0 | 0 | 111 | T1093 H1094 V1095 K1099 L1100 D1101 W1221 | T1093-T1097 VanDerWaalsContact O-CB 3.31Å; T1093-T1097 WeakPolarHBondContact O-CB 3.18Å; T1093-T1097 PolarHBondContact O-N 3.18Å; T1093-T1097 PolarHBondContact O-OG1 3.27Å; H1094-T1097 PolarHBondContact O-N 3.14Å; V1095-T1097 VanDerWaalsContact C-N 3.33Å; V1095-T1097 PolarHBondContact O-N 2.71Å; T1097-K1099 VanDerWaalsContact C-N 3.29Å; T1097-K1099 PolarHBondContact O-N 2.94Å; T1097-L1100 PolarHBondContact O-N 3.33Å; T1097-D1101 PolarHBondContact O-N 3.2Å; T1097-W1221 PolarHBondContact OG1-NE1 3Å |
| 1098 | A | 82.7 | Confident | 80.4 | Confident | 43 Ų | 43 | 47.1 Ų | 47.1 | 36% | 0.355 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -62.3 | -33.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | H1094 V1095 | H1094-A1098 WeakPolarHBondContact O-CB 3.49Å; H1094-A1098 PolarHBondContact O-N 2.92Å; V1095-A1098 PolarHBondContact O-N 3.32Å |
| 1099 | K | 83.1 | Confident | 79.1 | Confident | 68 Ų | 68 | 52.4 Ų | 52.4 | 30% | 0.296 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -76.1 | -40.8 | 175.8 | -65.3 | -66.4 | -178.4 | 177 | 0 | 111.7 | V1095 F1096 T1097 D1101 K1102 V1103 I1114 M1115 | V1095-K1099 HydrophobicContact CG1-CG 4.19Å; V1095-K1099 WeakPolarHBondContact O-CB 3.16Å; V1095-K1099 VanDerWaalsContact O-CG 3.26Å; V1095-K1099 WeakPolarHBondContact O-CG 3.39Å; V1095-K1099 PolarHBondContact O-N 3.45Å; F1096-K1099 PolarHBondContact O-N 3.01Å; T1097-K1099 VanDerWaalsContact C-N 3.29Å; T1097-K1099 PolarHBondContact O-N 2.94Å; K1099-D1101 VanDerWaalsContact C-N 3.3Å; K1099-D1101 PolarHBondContact O-N 3.03Å; K1099-K1102 WeakPolarHBondContact O-CB 3.22Å; K1099-K1102 PolarHBondContact O-N 2.89Å; K1099-K1102 VanDerWaalsContact O-N 3.16Å; K1099-V1103 VanDerWaalsContact O-CG2 3.25Å; K1099-V1103 WeakPolarHBondContact O-CG2 3.34Å; K1099-V1103 PolarHBondContact O-N 3.19Å; K1099-V1103 VanDerWaalsContact O-N 3.13Å; K1099-I1114 HydrophobicContact CD-CG2 4.25Å; K1099-M1115 HydrophobicContact CB-SD 3.52Å; K1099-M1115 VanDerWaalsContact CB-SD 3.52Å |
| 1100 | L | 85.9 | Confident | 77.8 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.9 | -40 | 175.7 | -175.7 | 65.9 | 0 | 0 | 0 | 111.4 | F1096 T1097 K1102 V1103 L1104 M1115 Q1225 I1229 I1297 | F1096-L1100 HydrophobicContact CE1-CB 4.49Å; F1096-L1100 HydrophobicContact CE1-CD2 4.22Å; F1096-L1100 VanDerWaalsContact O-CB 3.29Å; F1096-L1100 WeakPolarHBondContact O-CB 3.31Å; F1096-L1100 PolarHBondContact O-N 3.36Å; T1097-L1100 PolarHBondContact O-N 3.33Å; L1100-K1102 VanDerWaalsContact C-N 3.26Å; L1100-K1102 PolarHBondContact O-N 2.98Å; L1100-V1103 WeakPolarHBondContact O-CA 3.34Å; L1100-V1103 WeakPolarHBondContact O-CB 3.22Å; L1100-V1103 PolarHBondContact O-N 2.69Å; L1100-L1104 HydrophobicContact CD1-CD1 4.43Å; L1100-L1104 HydrophobicContact CD1-CG 4.27Å; L1100-L1104 HydrophobicContact CD2-CD1 4.41Å; L1100-L1104 HydrophobicContact CG-CD1 3.99Å; L1100-L1104 HydrophobicContact CG-CG 4.24Å; L1100-L1104 WeakPolarHBondContact O-CG 3.33Å; L1100-L1104 PolarHBondContact O-N 2.6Å; L1100-M1115 HydrophobicContact CB-CE 4.08Å; L1100-M1115 HydrophobicContact CD1-CE 4.08Å; L1100-Q1225 HydrophobicContact CD2-CB 4.11Å; L1100-Q1225 HydrophobicContact CD2-CG 4.5Å; L1100-I1229 HydrophobicContact CD1-CD1 3.86Å; L1100-I1229 HydrophobicContact CD1-CG1 4.02Å; L1100-I1229 HydrophobicContact CD2-CD1 4.18Å; L1100-I1229 HydrophobicContact CD2-CG1 4.22Å; L1100-I1297 HydrophobicContact CD1-CG2 4.36Å |
| 1101 | D | 82.1 | Confident | 76.9 | Confident | 50 Ų | 50 | 57.5 Ų | 57.5 | 27% | 0.267 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -57.6 | -40.1 | 175.8 | -68.9 | -8.1 | 0 | 0 | 0 | 112 | T1097 K1099 V1103 S1105 R1228 | T1097-D1101 PolarHBondContact O-N 3.2Å; K1099-D1101 VanDerWaalsContact C-N 3.3Å; K1099-D1101 PolarHBondContact O-N 3.03Å; D1101-V1103 VanDerWaalsContact C-N 3.33Å; D1101-S1105 WeakPolarHBondContact O-CB 3.34Å; D1101-S1105 PolarHBondContact O-N 3.07Å; D1101-S1105 PolarHBondContact O-OG 3.27Å; D1101-R1228 IonicContact OD1-CZ 2.7Å; D1101-R1228 VanDerWaalsContact OD1-CZ 3.23Å; D1101-R1228 IonicContact OD1-NH1 3.53Å; D1101-R1228 PolarHBondContact OD1-NH1 3.2Å; D1101-R1228 IonicContact OD1-NH2 2.6Å; D1101-R1228 PolarHBondContact OD1-NH2 3.42Å |
| 1102 | K | 82.3 | Confident | 76.3 | Confident | 118 Ų | 118 | 58.9 Ų | 58.9 | 51% | 0.513 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -68.8 | -30.8 | 174.9 | -66.8 | -178.5 | -178.6 | -170.8 | 0 | 112.5 | K1099 L1100 S1105 S1106 N1111 | K1099-K1102 WeakPolarHBondContact O-CB 3.22Å; K1099-K1102 PolarHBondContact O-N 2.89Å; K1099-K1102 VanDerWaalsContact O-N 3.16Å; L1100-K1102 VanDerWaalsContact C-N 3.26Å; L1100-K1102 PolarHBondContact O-N 2.98Å; K1102-S1105 WeakPolarHBondContact CA-OG 3.27Å; K1102-S1105 PolarHBondContact O-OG 3.14Å; K1102-S1106 WeakPolarHBondContact O-CB 3.46Å; K1102-S1106 PolarHBondContact O-N 2.8Å; K1102-N1111 PolarHBondContact O-ND2 3Å |
| 1103 | V | 83.3 | Confident | 75.6 | Confident | 6 Ų | 6 | 61.7 Ų | 61.7 | 4% | 0.036 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -75.7 | -42.6 | 178.8 | 179.5 | 0 | 0 | 0 | 0 | 110.7 | K1099 L1100 D1101 S1105 N1111 T1112 M1115 L1294 I1297 | K1099-V1103 VanDerWaalsContact O-CG2 3.25Å; K1099-V1103 WeakPolarHBondContact O-CG2 3.34Å; K1099-V1103 PolarHBondContact O-N 3.19Å; K1099-V1103 VanDerWaalsContact O-N 3.13Å; L1100-V1103 WeakPolarHBondContact O-CA 3.34Å; L1100-V1103 WeakPolarHBondContact O-CB 3.22Å; L1100-V1103 PolarHBondContact O-N 2.69Å; D1101-V1103 VanDerWaalsContact C-N 3.33Å; V1103-S1105 VanDerWaalsContact C-N 3.33Å; V1103-N1111 HydrophobicContact CG2-CB 3.86Å; V1103-T1112 HydrophobicContact CG1-CG2 4.32Å; V1103-M1115 HydrophobicContact CB-CG 4.43Å; V1103-M1115 HydrophobicContact CG2-CG 3.29Å; V1103-M1115 HydrophobicContact CG2-SD 4.09Å; V1103-L1294 HydrophobicContact CG1-CD2 3.78Å; V1103-I1297 HydrophobicContact CG1-CD1 4.34Å |
| 1104 | L | 83.6 | Confident | 75 | Confident | 26 Ų | 26 | 64.1 Ų | 64.1 | 14% | 0.136 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -69.9 | -29.5 | 178.6 | -65 | 176.9 | 0 | 0 | 0 | 112.4 | L1100 I1229 F1232 L1294 | L1100-L1104 HydrophobicContact CD1-CD1 4.43Å; L1100-L1104 HydrophobicContact CD1-CG 4.27Å; L1100-L1104 HydrophobicContact CD2-CD1 4.41Å; L1100-L1104 HydrophobicContact CG-CD1 3.99Å; L1100-L1104 HydrophobicContact CG-CG 4.24Å; L1100-L1104 WeakPolarHBondContact O-CG 3.33Å; L1100-L1104 PolarHBondContact O-N 2.6Å; L1104-I1229 HydrophobicContact CD2-CG1 4.38Å; L1104-F1232 HydrophobicContact CD2-CB 4.3Å; L1104-F1232 HydrophobicContact CD2-CD1 3.93Å; L1104-F1232 HydrophobicContact CD2-CD2 4.45Å; L1104-F1232 HydrophobicContact CD2-CE1 4.25Å; L1104-F1232 HydrophobicContact CD2-CG 4Å; L1104-F1232 VanDerWaalsContact O-CE2 3.31Å; L1104-F1232 WeakPolarHBondContact O-CE2 3.3Å; L1104-F1232 WeakPolarHBondContact O-CZ 3.27Å; L1104-L1294 HydrophobicContact CD2-CD1 4.11Å |
| 1105 | S | 77.8 | Confident | 75 | Confident | 94 Ų | 94 | 59.7 Ų | 59.7 | 66% | 0.657 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -87 | -28 | 176.2 | 56.7 | 0 | 0 | 0 | 0 | 114.4 | D1101 K1102 V1103 | D1101-S1105 WeakPolarHBondContact O-CB 3.34Å; D1101-S1105 PolarHBondContact O-N 3.07Å; D1101-S1105 PolarHBondContact O-OG 3.27Å; K1102-S1105 WeakPolarHBondContact CA-OG 3.27Å; K1102-S1105 PolarHBondContact O-OG 3.14Å; V1103-S1105 VanDerWaalsContact C-N 3.33Å |
| 1106 | S | 64.7 | Low | 74.9 | Confident | 31 Ų | 31 | 61.5 Ų | 61.5 | 22% | 0.217 | 33% | 0.329 | C | S | . | . | trans | -83.4 | 132.1 | -173.1 | -179.8 | 0 | 0 | 0 | 0 | 114.1 | K1102 I1108 N1111 R1293 | K1102-S1106 WeakPolarHBondContact O-CB 3.46Å; K1102-S1106 PolarHBondContact O-N 2.8Å; S1106-I1108 VanDerWaalsContact C-N 3.25Å; S1106-I1108 PolarHBondContact O-N 2.83Å; S1106-I1108 PolarHBondContact OG-N 3.36Å; S1106-I1108 PolarHBondContact OG-O 3.05Å; S1106-N1111 WeakPolarHBondContact CB-ND2 3.24Å; S1106-R1293 PolarHBondContact O-NH1 2.94Å | ||
| 1107 | K | 61.8 | Low | 74.6 | Confident | 201 Ų | 201 | 63.8 Ų | 63.8 | 87% | 0.874 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -73.9 | -12.9 | 168.8 | -67.1 | -174.7 | -179.9 | -179.5 | 0 | 113.4 | ||
| 1108 | I | 56.6 | Low | 74.6 | Confident | 106 Ų | 106 | 63.5 Ų | 63.5 | 54% | 0.544 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -101.1 | 140.1 | -168.4 | -56.5 | 171.1 | 0 | 0 | 0 | 110.9 | S1106 E1110 R1293 | S1106-I1108 VanDerWaalsContact C-N 3.25Å; S1106-I1108 PolarHBondContact O-N 2.83Å; S1106-I1108 PolarHBondContact OG-N 3.36Å; S1106-I1108 PolarHBondContact OG-O 3.05Å; I1108-E1110 HydrophobicContact CG2-CB 4.43Å; I1108-E1110 HydrophobicContact CG2-CG 4.17Å; I1108-E1110 PolarHBondContact O-N 3.4Å; I1108-R1293 PolarHBondContact O-NH2 3.11Å |
| 1109 | N | 58.2 | Low | 74.9 | Confident | 111 Ų | 111 | 61.8 Ų | 61.8 | 59% | 0.594 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -26.5 | -173.5 | -72.1 | -13.6 | 0 | 0 | 0 | 115 | N1111 T1112 | N1109-N1111 PolarHBondContact O-N 2.6Å; N1109-T1112 PolarHBondContact O-N 2.93Å; N1109-T1112 PolarHBondContact O-OG1 3.41Å |
| 1110 | E | 57.2 | Low | 75 | Confident | 151 Ų | 151 | 60.8 Ų | 60.8 | 71% | 0.706 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -55.6 | -29.5 | -171.9 | -65.2 | 177.6 | 179.2 | 0 | 0 | 114.4 | I1108 T1112 | I1108-E1110 HydrophobicContact CG2-CB 4.43Å; I1108-E1110 HydrophobicContact CG2-CG 4.17Å; I1108-E1110 PolarHBondContact O-N 3.4Å; E1110-T1112 VanDerWaalsContact C-N 3.27Å; E1110-T1112 PolarHBondContact O-N 3.1Å |
| 1111 | N | 63.9 | Low | 75 | Confident | 44 Ų | 44 | 60.9 Ų | 60.9 | 24% | 0.235 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -69.1 | -18.3 | 179.4 | -71.8 | -14.5 | 0 | 0 | 0 | 114.1 | K1102 V1103 S1106 N1109 M1115 | K1102-N1111 PolarHBondContact O-ND2 3Å; V1103-N1111 HydrophobicContact CG2-CB 3.86Å; S1106-N1111 WeakPolarHBondContact CB-ND2 3.24Å; N1109-N1111 PolarHBondContact O-N 2.6Å; N1111-M1115 PolarHBondContact O-N 2.84Å |
| 1112 | T | 70.6 | Confident | 75.4 | Confident | 30 Ų | 30 | 58.5 Ų | 58.5 | 18% | 0.184 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -74.3 | -38.8 | -179.1 | 56.2 | 0 | 0 | 0 | 0 | 112.5 | V1103 N1109 E1110 I1114 M1115 D1116 R1293 | V1103-T1112 HydrophobicContact CG1-CG2 4.32Å; N1109-T1112 PolarHBondContact O-N 2.93Å; N1109-T1112 PolarHBondContact O-OG1 3.41Å; E1110-T1112 VanDerWaalsContact C-N 3.27Å; E1110-T1112 PolarHBondContact O-N 3.1Å; T1112-I1114 PolarHBondContact O-N 3.46Å; T1112-M1115 WeakPolarHBondContact O-CA 3.34Å; T1112-M1115 WeakPolarHBondContact O-CB 3.48Å; T1112-M1115 PolarHBondContact O-N 3.2Å; T1112-D1116 PolarHBondContact O-N 3Å; T1112-D1116 VanDerWaalsContact O-N 3.08Å; T1112-R1293 HydrophobicContact CG2-CG 3.81Å |
| 1113 | A | 69.4 | Low | 75.8 | Confident | 59 Ų | 59 | 53 Ų | 53 | 49% | 0.488 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.3 | -35.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | M1115 D1116 | A1113-M1115 VanDerWaalsContact C-N 3.32Å; A1113-D1116 PolarHBondContact O-N 2.9Å |
| 1114 | I | 73.5 | Confident | 76 | Confident | 71 Ų | 71 | 52.8 Ų | 52.8 | 36% | 0.364 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -66 | -37.3 | 174.2 | -61.3 | 173.3 | 0 | 0 | 0 | 110.7 | K1099 T1112 V1117 W1118 | K1099-I1114 HydrophobicContact CD-CG2 4.25Å; T1112-I1114 PolarHBondContact O-N 3.46Å; I1114-V1117 WeakPolarHBondContact O-CB 3.43Å; I1114-V1117 PolarHBondContact O-N 3.17Å; I1114-W1118 PolarHBondContact O-N 3.42Å |
| 1115 | M | 83 | Confident | 76.4 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.9 | -36 | 178.1 | -74.9 | -60.2 | -62.9 | 0 | 0 | 113 | F1096 K1099 L1100 V1103 N1111 T1112 A1113 V1117 W1118 C1119 I1297 | F1096-M1115 HydrophobicContact CD1-CE 4.26Å; F1096-M1115 HydrophobicContact CD2-CE 4.03Å; F1096-M1115 HydrophobicContact CE1-CE 3.87Å; F1096-M1115 HydrophobicContact CE2-CE 3.6Å; F1096-M1115 HydrophobicContact CG-CE 4.34Å; F1096-M1115 HydrophobicContact CZ-CE 3.51Å; K1099-M1115 HydrophobicContact CB-SD 3.52Å; K1099-M1115 VanDerWaalsContact CB-SD 3.52Å; L1100-M1115 HydrophobicContact CB-CE 4.08Å; L1100-M1115 HydrophobicContact CD1-CE 4.08Å; V1103-M1115 HydrophobicContact CB-CG 4.43Å; V1103-M1115 HydrophobicContact CG2-CG 3.29Å; V1103-M1115 HydrophobicContact CG2-SD 4.09Å; N1111-M1115 PolarHBondContact O-N 2.84Å; T1112-M1115 WeakPolarHBondContact O-CA 3.34Å; T1112-M1115 WeakPolarHBondContact O-CB 3.48Å; T1112-M1115 PolarHBondContact O-N 3.2Å; A1113-M1115 VanDerWaalsContact C-N 3.32Å; M1115-V1117 PolarHBondContact O-N 3.43Å; M1115-W1118 PolarHBondContact O-N 2.85Å; M1115-C1119 PolarHBondContact O-N 2.95Å; M1115-C1119 PolarHBondContact O-SG 3.17Å; M1115-I1297 HydrophobicContact CB-CD1 3.63Å; M1115-I1297 HydrophobicContact CB-CG1 4.05Å; M1115-I1297 HydrophobicContact CE-CD1 4.41Å; M1115-I1297 HydrophobicContact CE-CG2 4.2Å; M1115-I1297 HydrophobicContact CG-CD1 3.9Å |
| 1116 | D | 79.9 | Confident | 76.9 | Confident | 63 Ų | 63 | 47.1 Ų | 47.1 | 34% | 0.337 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -57.8 | -38.3 | 177.3 | -67.7 | -26.7 | 0 | 0 | 0 | 111.3 | T1112 A1113 C1119 D1120 | T1112-D1116 PolarHBondContact O-N 3Å; T1112-D1116 VanDerWaalsContact O-N 3.08Å; A1113-D1116 PolarHBondContact O-N 2.9Å; D1116-C1119 WeakPolarHBondContact O-CB 3.37Å; D1116-C1119 PolarHBondContact O-N 2.8Å; D1116-D1120 PolarHBondContact O-N 2.86Å |
| 1117 | V | 81.5 | Confident | 78 | Confident | 48 Ų | 48 | 46.7 Ų | 46.7 | 29% | 0.291 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.3 | -43.1 | 175.6 | 175.7 | 0 | 0 | 0 | 0 | 112 | Q1063 I1114 M1115 C1119 D1120 V1121 | Q1063-V1117 HydrophobicContact CG-CG1 3.79Å; I1114-V1117 WeakPolarHBondContact O-CB 3.43Å; I1114-V1117 PolarHBondContact O-N 3.17Å; M1115-V1117 PolarHBondContact O-N 3.43Å; V1117-C1119 VanDerWaalsContact C-N 3.34Å; V1117-D1120 PolarHBondContact O-N 3.13Å; V1117-V1121 WeakPolarHBondContact O-CG2 3.31Å; V1117-V1121 PolarHBondContact O-N 2.97Å |
| 1118 | W | 85.8 | Confident | 79.2 | Confident | 14 Ų | 14 | 37.9 Ų | 37.9 | 5% | 0.053 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -71.3 | -29.4 | 176.6 | -74 | 105.4 | 0 | 0 | 0 | 112.9 | S1062 Q1063 L1066 L1092 V1095 F1096 I1114 M1115 D1120 V1121 L1122 | S1062-W1118 WeakPolarHBondContact OG-CH2 2.95Å; Q1063-W1118 HydrophobicContact CB-CH2 4.04Å; Q1063-W1118 HydrophobicContact CB-CZ2 4.09Å; L1066-W1118 HydrophobicContact CD1-CH2 4.15Å; L1066-W1118 HydrophobicContact CD1-CZ3 3.78Å; L1092-W1118 HydrophobicContact CD1-CE3 4.02Å; L1092-W1118 HydrophobicContact CD1-CZ3 4.26Å; V1095-W1118 HydrophobicContact CB-CH2 4.19Å; V1095-W1118 HydrophobicContact CB-CZ2 4.42Å; V1095-W1118 HydrophobicContact CB-CZ3 4.33Å; V1095-W1118 HydrophobicContact CG1-CD2 4.1Å; V1095-W1118 HydrophobicContact CG1-CE3 4.28Å; V1095-W1118 HydrophobicContact CG1-CH2 3.57Å; V1095-W1118 HydrophobicContact CG1-CZ2 3.34Å; V1095-W1118 HydrophobicContact CG1-CZ3 4.02Å; F1096-W1118 HydrophobicContact CD2-CB 4.02Å; I1114-W1118 PolarHBondContact O-N 3.42Å; M1115-W1118 PolarHBondContact O-N 2.85Å; W1118-D1120 VanDerWaalsContact C-N 3.33Å; W1118-V1121 HydrophobicContact CE3-CB 4.48Å; W1118-V1121 PolarHBondContact O-N 3.36Å; W1118-L1122 WeakPolarHBondContact O-CB 3.44Å; W1118-L1122 PolarHBondContact O-N 3.25Å |
| 1119 | C | 88.1 | Confident | 80.6 | Confident | 6 Ų | 6 | 33 Ų | 33 | 4% | 0.041 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.9 | -42.5 | 170.4 | -67.8 | 0 | 0 | 0 | 0 | 110.9 | M1115 D1116 V1117 V1121 L1122 L1123 C1300 | M1115-C1119 PolarHBondContact O-N 2.95Å; M1115-C1119 PolarHBondContact O-SG 3.17Å; D1116-C1119 WeakPolarHBondContact O-CB 3.37Å; D1116-C1119 PolarHBondContact O-N 2.8Å; V1117-C1119 VanDerWaalsContact C-N 3.34Å; C1119-V1121 PolarHBondContact O-N 3.43Å; C1119-L1122 PolarHBondContact O-N 2.9Å; C1119-L1123 WeakPolarHBondContact O-CG 2.88Å; C1119-L1123 PolarHBondContact O-N 3.08Å; C1119-C1300 VanDerWaalsContact CA-SG 3.6Å; C1119-C1300 HydrophobicContact CB-CB 3.74Å; C1119-C1300 WeakPolarHBondContact CB-SG 3.48Å |
| 1120 | D | 84.9 | Confident | 81.8 | Confident | 47 Ų | 47 | 29.3 Ų | 29.3 | 25% | 0.251 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -63.9 | -41.2 | 176.6 | -73.4 | -10.3 | 0 | 0 | 0 | 112.8 | W169 K172 D1116 V1117 W1118 L1122 L1123 S1124 | W169-D1120 HydrophobicContact CH2-CB 4.15Å; K172-D1120 IonicContact NZ-OD1 2.9Å; K172-D1120 PolarHBondContact NZ-OD1 3.41Å; K172-D1120 IonicContact NZ-OD2 3.93Å; K172-D1120 PolarHBondContact NZ-OD2 3.26Å; D1116-D1120 PolarHBondContact O-N 2.86Å; V1117-D1120 PolarHBondContact O-N 3.13Å; W1118-D1120 VanDerWaalsContact C-N 3.33Å; D1120-L1122 VanDerWaalsContact C-N 3.32Å; D1120-L1122 PolarHBondContact O-N 2.89Å; D1120-L1123 PolarHBondContact O-N 3.33Å; D1120-S1124 WeakPolarHBondContact O-CB 3.44Å; D1120-S1124 PolarHBondContact O-N 2.87Å |
| 1121 | V | 87.6 | Confident | 83 | Confident | 3 Ų | 3 | 27 Ų | 27 | 2% | 0.018 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.7 | -40.6 | 175.2 | -178.2 | 0 | 0 | 0 | 0 | 110.7 | Q1063 L1066 I1070 L1092 V1117 W1118 C1119 S1124 F1125 | Q1063-V1121 HydrophobicContact CG-CG2 3.64Å; L1066-V1121 HydrophobicContact CB-CG1 4.1Å; I1070-V1121 HydrophobicContact CD1-CG1 4.02Å; L1092-V1121 HydrophobicContact CD1-CB 4.26Å; L1092-V1121 HydrophobicContact CD1-CG1 3.8Å; V1117-V1121 WeakPolarHBondContact O-CG2 3.31Å; V1117-V1121 PolarHBondContact O-N 2.97Å; W1118-V1121 HydrophobicContact CE3-CB 4.48Å; W1118-V1121 PolarHBondContact O-N 3.36Å; C1119-V1121 PolarHBondContact O-N 3.43Å; V1121-S1124 PolarHBondContact O-N 3.14Å; V1121-F1125 WeakPolarHBondContact O-CB 3.5Å; V1121-F1125 PolarHBondContact O-N 2.9Å |
| 1122 | L | 90.4 | Very high | 83.8 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.4 | -43.9 | 178.1 | -177.9 | 66.7 | 0 | 0 | 0 | 112.5 | L1092 F1096 W1118 C1119 D1120 F1125 M1126 F1218 W1221 L1301 V1304 | L1092-L1122 HydrophobicContact CD2-CB 4.35Å; L1092-L1122 HydrophobicContact CD2-CD1 3.48Å; L1092-L1122 VanDerWaalsContact CD2-CD1 3.48Å; L1092-L1122 HydrophobicContact CG-CD1 4.15Å; F1096-L1122 HydrophobicContact CD2-CD2 4.47Å; F1096-L1122 HydrophobicContact CE2-CD2 4.15Å; W1118-L1122 WeakPolarHBondContact O-CB 3.44Å; W1118-L1122 PolarHBondContact O-N 3.25Å; C1119-L1122 PolarHBondContact O-N 2.9Å; D1120-L1122 VanDerWaalsContact C-N 3.32Å; D1120-L1122 PolarHBondContact O-N 2.89Å; L1122-F1125 PolarHBondContact O-N 3.1Å; L1122-M1126 WeakPolarHBondContact O-CG 3.31Å; L1122-M1126 PolarHBondContact O-N 3.4Å; L1122-M1126 VanDerWaalsContact O-N 3.09Å; L1122-F1218 HydrophobicContact CD1-CE2 4.05Å; L1122-F1218 HydrophobicContact CD1-CZ 3.8Å; L1122-W1221 HydrophobicContact CD1-CZ3 4.3Å; L1122-W1221 HydrophobicContact CD2-CZ3 4.46Å; L1122-L1301 HydrophobicContact CD2-CD2 3.98Å; L1122-V1304 HydrophobicContact CD2-CG2 3.92Å; L1122-V1304 HydrophobicContact CG-CG2 3.8Å |
| 1123 | L | 90.6 | Very high | 84 | Confident | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.8 | -41 | 175.3 | -72.7 | 167 | 0 | 0 | 0 | 111.8 | I165 H168 W169 C1119 D1120 M1126 D1127 C1300 T1303 V1304 | I165-L1123 HydrophobicContact CG1-CD2 4.38Å; I165-L1123 HydrophobicContact CG2-CB 4.47Å; I165-L1123 HydrophobicContact CG2-CD2 4.34Å; H168-L1123 VanDerWaalsContact CD2-CD1 3.43Å; H168-L1123 WeakPolarHBondContact CD2-CD1 3.03Å; H168-L1123 WeakPolarHBondContact NE2-CD1 3.17Å; W169-L1123 HydrophobicContact CZ2-CB 4.04Å; C1119-L1123 WeakPolarHBondContact O-CG 2.88Å; C1119-L1123 PolarHBondContact O-N 3.08Å; D1120-L1123 PolarHBondContact O-N 3.33Å; L1123-M1126 PolarHBondContact O-N 3.07Å; L1123-D1127 VanDerWaalsContact O-CB 3.26Å; L1123-D1127 WeakPolarHBondContact O-CB 3.49Å; L1123-D1127 PolarHBondContact O-N 2.74Å; L1123-C1300 HydrophobicContact CD1-CB 4.45Å; L1123-T1303 HydrophobicContact CD2-CG2 3.79Å; L1123-V1304 HydrophobicContact CD2-CG2 3.99Å |
| 1124 | S | 87.5 | Confident | 84.1 | Confident | 3 Ų | 3 | 23.9 Ų | 23.9 | 2% | 0.021 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.4 | -41 | 176.3 | 173.1 | 0 | 0 | 0 | 0 | 112.4 | I1070 H1071 D1120 V1121 D1127 S1128 | I1070-S1124 WeakPolarHBondContact CG2-O 3.21Å; I1070-S1124 WeakPolarHBondContact CG2-OG 3.37Å; H1071-S1124 PolarHBondContact CE1-OG 2.82Å; H1071-S1124 PolarHBondContact NE2-OG 2.73Å; D1120-S1124 WeakPolarHBondContact O-CB 3.44Å; D1120-S1124 PolarHBondContact O-N 2.87Å; V1121-S1124 PolarHBondContact O-N 3.14Å; S1124-D1127 PolarHBondContact O-N 2.99Å; S1124-S1128 VanDerWaalsContact O-CB 3.28Å; S1124-S1128 WeakPolarHBondContact O-CB 3.21Å; S1124-S1128 PolarHBondContact O-N 3.39Å; S1124-S1128 PolarHBondContact O-OG 2.77Å |
| 1125 | F | 90.7 | Very high | 83.2 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58.2 | -50.3 | 174 | 170.6 | -110.1 | 0 | 0 | 0 | 110.8 | I1070 F1075 V1085 I1088 L1092 V1121 L1122 F1129 L1212 F1218 | I1070-F1125 HydrophobicContact CD1-CB 3.82Å; I1070-F1125 HydrophobicContact CD1-CD2 4.42Å; I1070-F1125 HydrophobicContact CG1-CB 4.47Å; I1070-F1125 HydrophobicContact CG1-CD2 4.38Å; F1075-F1125 HydrophobicContact CE2-CD2 4.4Å; F1075-F1125 HydrophobicContact CE2-CE2 4.22Å; F1075-F1125 HydrophobicContact CZ-CD2 4.25Å; F1075-F1125 HydrophobicContact CZ-CE2 4.08Å; V1085-F1125 HydrophobicContact CG1-CZ 4.43Å; I1088-F1125 HydrophobicContact CB-CE2 4.44Å; I1088-F1125 HydrophobicContact CG2-CD2 3.59Å; I1088-F1125 HydrophobicContact CG2-CE2 3.73Å; I1088-F1125 HydrophobicContact CG2-CG 4.39Å; L1092-F1125 HydrophobicContact CD2-CB 4.16Å; L1092-F1125 HydrophobicContact CD2-CD1 4.07Å; L1092-F1125 HydrophobicContact CD2-CG 4.19Å; V1121-F1125 WeakPolarHBondContact O-CB 3.5Å; V1121-F1125 PolarHBondContact O-N 2.9Å; L1122-F1125 PolarHBondContact O-N 3.1Å; F1125-F1129 VanDerWaalsContact O-CB 3.26Å; F1125-F1129 WeakPolarHBondContact O-CB 3.26Å; F1125-F1129 PolarHBondContact O-N 2.82Å; F1125-L1212 HydrophobicContact CE1-CD2 4.19Å; F1125-L1212 HydrophobicContact CZ-CD1 4.23Å; F1125-L1212 HydrophobicContact CZ-CD2 3.86Å; F1125-F1218 HydrophobicContact CD1-CZ 4.37Å; F1125-F1218 HydrophobicContact CE1-CE2 4.22Å; F1125-F1218 HydrophobicContact CE1-CZ 4.22Å |
| 1126 | M | 89.3 | Confident | 81.6 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.4 | -43.6 | 179.3 | -73.2 | -58.5 | -60.8 | 0 | 0 | 112.5 | I165 L1122 L1123 S1128 F1129 T1130 F1218 V1304 S1308 | I165-M1126 HydrophobicContact CD1-CB 3.59Å; L1122-M1126 WeakPolarHBondContact O-CG 3.31Å; L1122-M1126 PolarHBondContact O-N 3.4Å; L1122-M1126 VanDerWaalsContact O-N 3.09Å; L1123-M1126 PolarHBondContact O-N 3.07Å; M1126-S1128 PolarHBondContact O-N 3.08Å; M1126-F1129 PolarHBondContact O-N 2.84Å; M1126-T1130 WeakPolarHBondContact O-CB 3.47Å; M1126-T1130 PolarHBondContact O-N 3.38Å; M1126-T1130 PolarHBondContact O-OG1 3.2Å; M1126-F1218 HydrophobicContact CE-CE1 4.27Å; M1126-F1218 HydrophobicContact CG-CE1 4.3Å; M1126-F1218 HydrophobicContact CG-CZ 4.27Å; M1126-F1218 HydrophobicContact SD-CD1 4.28Å; M1126-F1218 HydrophobicContact SD-CE1 3.34Å; M1126-F1218 WeakPolarHBondContact SD-CE1 3.27Å; M1126-F1218 HydrophobicContact SD-CZ 3.73Å; M1126-V1304 HydrophobicContact CG-CG1 3.9Å; M1126-V1304 HydrophobicContact CG-CG2 4.19Å; M1126-V1304 HydrophobicContact SD-CG1 4.44Å; M1126-S1308 VanDerWaalsContact CE-OG 3.27Å; M1126-S1308 WeakPolarHBondContact CE-OG 3.43Å |
| 1127 | D | 87.9 | Confident | 79.7 | Confident | 22 Ų | 22 | 28.7 Ų | 28.7 | 12% | 0.118 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.9 | -50.1 | 177.8 | -173.9 | 40.7 | 0 | 0 | 0 | 111.6 | I165 L1123 S1124 F1129 T1130 K1131 | I165-D1127 HydrophobicContact CG2-CB 3.73Å; L1123-D1127 VanDerWaalsContact O-CB 3.26Å; L1123-D1127 WeakPolarHBondContact O-CB 3.49Å; L1123-D1127 PolarHBondContact O-N 2.74Å; S1124-D1127 PolarHBondContact O-N 2.99Å; D1127-F1129 VanDerWaalsContact C-N 3.29Å; D1127-F1129 PolarHBondContact O-N 2.71Å; D1127-T1130 PolarHBondContact O-N 3.26Å; D1127-K1131 WeakPolarHBondContact O-CB 3.02Å; D1127-K1131 WeakPolarHBondContact O-CG 3.2Å; D1127-K1131 PolarHBondContact O-N 2.65Å; D1127-K1131 WeakPolarHBondContact OD1-CD 3.42Å; D1127-K1131 WeakPolarHBondContact OD1-CE 3.45Å; D1127-K1131 IonicContact OD1-NZ 3.21Å; D1127-K1131 PolarHBondContact OD1-NZ 2.93Å; D1127-K1131 IonicContact OD2-NZ 3.51Å; D1127-K1131 PolarHBondContact OD2-NZ 3.1Å |
| 1128 | S | 86.1 | Confident | 77.6 | Confident | 17 Ų | 17 | 32 Ų | 32 | 12% | 0.119 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.1 | -37.3 | 179.1 | -57.8 | 0 | 0 | 0 | 0 | 111.1 | I1070 S1124 M1126 A1132 | I1070-S1128 VanDerWaalsContact CG2-OG 3.25Å; I1070-S1128 WeakPolarHBondContact CG2-OG 3.31Å; S1124-S1128 VanDerWaalsContact O-CB 3.28Å; S1124-S1128 WeakPolarHBondContact O-CB 3.21Å; S1124-S1128 PolarHBondContact O-N 3.39Å; S1124-S1128 PolarHBondContact O-OG 2.77Å; M1126-S1128 PolarHBondContact O-N 3.08Å; S1128-A1132 WeakPolarHBondContact O-CB 3.34Å; S1128-A1132 PolarHBondContact O-N 2.89Å |
| 1129 | F | 87 | Confident | 75.1 | Confident | 3 Ų | 3 | 37.2 Ų | 37.2 | 1% | 0.013 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.1 | -47.1 | 175.7 | -174.5 | -98 | 0 | 0 | 0 | 112.2 | F1075 V1085 F1125 M1126 D1127 A1132 T1133 I1209 L1212 M1311 | F1075-F1129 HydrophobicContact CE1-CB 4.18Å; F1075-F1129 HydrophobicContact CZ-CB 4.22Å; F1075-F1129 HydrophobicContact CZ-CD2 4.25Å; V1085-F1129 HydrophobicContact CG2-CD2 4.34Å; V1085-F1129 HydrophobicContact CG2-CE2 4.46Å; F1125-F1129 VanDerWaalsContact O-CB 3.26Å; F1125-F1129 WeakPolarHBondContact O-CB 3.26Å; F1125-F1129 PolarHBondContact O-N 2.82Å; M1126-F1129 PolarHBondContact O-N 2.84Å; D1127-F1129 VanDerWaalsContact C-N 3.29Å; D1127-F1129 PolarHBondContact O-N 2.71Å; F1129-A1132 PolarHBondContact O-N 2.78Å; F1129-T1133 HydrophobicContact CD1-CG2 4.41Å; F1129-T1133 HydrophobicContact CD2-CG2 4.46Å; F1129-T1133 HydrophobicContact CE1-CG2 4.01Å; F1129-T1133 HydrophobicContact CE2-CG2 4.07Å; F1129-T1133 HydrophobicContact CZ-CG2 3.83Å; F1129-T1133 WeakPolarHBondContact O-CB 3.33Å; F1129-T1133 WeakPolarHBondContact O-CG2 3.46Å; F1129-T1133 PolarHBondContact O-N 3.31Å; F1129-T1133 PolarHBondContact O-OG1 3.1Å; F1129-I1209 HydrophobicContact CE1-CG1 4.39Å; F1129-L1212 HydrophobicContact CD1-CD2 3.84Å; F1129-L1212 HydrophobicContact CD2-CD2 3.69Å; F1129-L1212 HydrophobicContact CE1-CD2 3.65Å; F1129-L1212 HydrophobicContact CE2-CB 4.42Å; F1129-L1212 HydrophobicContact CE2-CD2 3.49Å; F1129-L1212 VanDerWaalsContact CE2-CD2 3.49Å; F1129-L1212 HydrophobicContact CG-CD2 3.86Å; F1129-L1212 HydrophobicContact CZ-CB 4.03Å; F1129-L1212 HydrophobicContact CZ-CD2 3.47Å; F1129-L1212 VanDerWaalsContact CZ-CD2 3.47Å; F1129-L1212 HydrophobicContact CZ-CG 4.37Å; F1129-M1311 HydrophobicContact CD1-CE 4.13Å; F1129-M1311 HydrophobicContact CD1-SD 4.33Å; F1129-M1311 HydrophobicContact CE1-CE 3.97Å |
| 1130 | T | 83 | Confident | 72.4 | Confident | 34 Ų | 34 | 41.1 Ų | 41.1 | 21% | 0.209 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.4 | -44.9 | 177.9 | -54.6 | 0 | 0 | 0 | 0 | 111.5 | M1126 D1127 T1133 A1134 M1311 | M1126-T1130 WeakPolarHBondContact O-CB 3.47Å; M1126-T1130 PolarHBondContact O-N 3.38Å; M1126-T1130 PolarHBondContact O-OG1 3.2Å; D1127-T1130 PolarHBondContact O-N 3.26Å; T1130-T1133 PolarHBondContact O-N 3.49Å; T1130-T1133 PolarHBondContact O-OG1 2.66Å; T1130-T1133 VanDerWaalsContact O-OG1 3.06Å; T1130-A1134 WeakPolarHBondContact O-CB 3.46Å; T1130-A1134 PolarHBondContact O-N 3.38Å; T1130-M1311 HydrophobicContact CG2-CE 4.4Å; T1130-M1311 HydrophobicContact CG2-CG 4.48Å; T1130-M1311 HydrophobicContact CG2-SD 4.01Å; T1130-M1311 PolarHBondContact OG1-SD 3.09Å |
| 1131 | K | 83.1 | Confident | 69.6 | Low | 101 Ų | 101 | 44 Ų | 44 | 44% | 0.439 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.7 | -43.3 | 177.5 | -74.1 | 170.5 | 177.3 | 157.5 | 0 | 112.2 | D166 D1127 T1133 A1134 S1135 | D166-K1131 WeakPolarHBondContact OD1-CE 3.4Å; D166-K1131 IonicContact OD1-NZ 3.39Å; D166-K1131 PolarHBondContact OD1-NZ 3.29Å; D1127-K1131 WeakPolarHBondContact O-CB 3.02Å; D1127-K1131 WeakPolarHBondContact O-CG 3.2Å; D1127-K1131 PolarHBondContact O-N 2.65Å; D1127-K1131 WeakPolarHBondContact OD1-CD 3.42Å; D1127-K1131 WeakPolarHBondContact OD1-CE 3.45Å; D1127-K1131 IonicContact OD1-NZ 3.21Å; D1127-K1131 PolarHBondContact OD1-NZ 2.93Å; D1127-K1131 IonicContact OD2-NZ 3.51Å; D1127-K1131 PolarHBondContact OD2-NZ 3.1Å; K1131-T1133 PolarHBondContact O-N 3.3Å; K1131-A1134 PolarHBondContact O-N 3.13Å; K1131-S1135 PolarHBondContact O-N 3.28Å |
| 1132 | A | 79.8 | Confident | 66.7 | Low | 6 Ų | 6 | 49.4 Ų | 49.4 | 5% | 0.05 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -68.6 | -33.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | F1075 S1128 F1129 S1135 | F1075-A1132 HydrophobicContact CD1-CB 4.4Å; S1128-A1132 WeakPolarHBondContact O-CB 3.34Å; S1128-A1132 PolarHBondContact O-N 2.89Å; F1129-A1132 PolarHBondContact O-N 2.78Å; A1132-S1135 PolarHBondContact O-OG 3.11Å; A1132-S1135 VanDerWaalsContact O-OG 3.14Å |
| 1133 | T | 75.6 | Confident | 63.7 | Low | 8 Ų | 8 | 55.3 Ų | 55.3 | 5% | 0.049 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -77.4 | -35.4 | 176.7 | 49.2 | 0 | 0 | 0 | 0 | 112.7 | F1129 T1130 K1131 I1209 M1311 | F1129-T1133 HydrophobicContact CD1-CG2 4.41Å; F1129-T1133 HydrophobicContact CD2-CG2 4.46Å; F1129-T1133 HydrophobicContact CE1-CG2 4.01Å; F1129-T1133 HydrophobicContact CE2-CG2 4.07Å; F1129-T1133 HydrophobicContact CZ-CG2 3.83Å; F1129-T1133 WeakPolarHBondContact O-CB 3.33Å; F1129-T1133 WeakPolarHBondContact O-CG2 3.46Å; F1129-T1133 PolarHBondContact O-N 3.31Å; F1129-T1133 PolarHBondContact O-OG1 3.1Å; T1130-T1133 PolarHBondContact O-N 3.49Å; T1130-T1133 PolarHBondContact O-OG1 2.66Å; T1130-T1133 VanDerWaalsContact O-OG1 3.06Å; K1131-T1133 PolarHBondContact O-N 3.3Å; T1133-I1209 HydrophobicContact CG2-CG1 4.34Å; T1133-M1311 WeakPolarHBondContact OG1-CE 3.23Å |
| 1134 | A | 71.2 | Confident | 60.5 | Low | 55 Ų | 55 | 61.1 Ų | 61.1 | 46% | 0.455 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -67.5 | -36.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | T1130 K1131 I1136 T1137 | T1130-A1134 WeakPolarHBondContact O-CB 3.46Å; T1130-A1134 PolarHBondContact O-N 3.38Å; K1131-A1134 PolarHBondContact O-N 3.13Å; A1134-I1136 PolarHBondContact O-N 3.23Å; A1134-T1137 PolarHBondContact O-N 2.88Å; A1134-T1137 PolarHBondContact O-OG1 3.04Å |
| 1135 | S | 55 | Low | 57.6 | Low | 73 Ų | 73 | 66.1 Ų | 66.1 | 51% | 0.51 | 43% | 0.426 | S | S | . | . | G | 310 helix | trans | -59.9 | -17.5 | -170 | 64.3 | 0 | 0 | 0 | 0 | 116.6 | K1131 A1132 | K1131-S1135 PolarHBondContact O-N 3.28Å; A1132-S1135 PolarHBondContact O-OG 3.11Å; A1132-S1135 VanDerWaalsContact O-OG 3.14Å |
| 1136 | I | 49 | Very low | 54.4 | Low | 73 Ų | 73 | 72.4 Ų | 72.4 | 37% | 0.374 | 46% | 0.464 | S | S | . | . | G | 310 helix | trans | -85.7 | -12.8 | -173.7 | -58.8 | 167.4 | 0 | 0 | 0 | 112.3 | A1134 T1138 Q1205 | A1134-I1136 PolarHBondContact O-N 3.23Å; I1136-T1138 PolarHBondContact O-N 3.4Å; I1136-Q1205 HydrophobicContact CB-CG 4.46Å; I1136-Q1205 HydrophobicContact CG2-CG 4.47Å |
| 1137 | T | 39.7 | Very low | 51.2 | Low | 88 Ų | 88 | 77.9 Ų | 77.9 | 54% | 0.54 | 50% | 0.498 | S | S | . | . | G | 310 helix | trans | -77.4 | -12.8 | -176.9 | 42.9 | 0 | 0 | 0 | 0 | 115.9 | A1134 | A1134-T1137 PolarHBondContact O-N 2.88Å; A1134-T1137 PolarHBondContact O-OG1 3.04Å |
| 1138 | T | 37 | Very low | 48.1 | Very low | 119 Ų | 119 | 84.9 Ų | 84.9 | 73% | 0.73 | 53% | 0.53 | S | S | * | . | G | 310 helix | trans | -93.9 | -5.6 | -168.9 | 48.8 | 0 | 0 | 0 | 0 | 115.9 | I1136 | I1136-T1138 PolarHBondContact O-N 3.4Š|
| 1139 | T | 33.3 | Very low | 45 | Very low | 122 Ų | 122 | 90.6 Ų | 90.6 | 75% | 0.748 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -104.7 | 8.8 | -172.5 | 32.1 | 0 | 0 | 0 | 0 | 116.9 | ||
| 1140 | T | 30.9 | Very low | 42 | Very low | 88 Ų | 88 | 98.2 Ų | 98.2 | 54% | 0.54 | 61% | 0.608 | S | S | . | * | S | Bend | trans | -122.4 | 62.9 | 177.1 | 48 | 0 | 0 | 0 | 0 | 112 | ||
| 1141 | S | 27.2 | Very low | 39.1 | Very low | 109 Ų | 109 | 99.4 Ų | 99.4 | 76% | 0.762 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -158 | 41.2 | 171.9 | -54.4 | 0 | 0 | 0 | 0 | 114.6 | ||
| 1142 | S | 26.2 | Very low | 36.1 | Very low | 116 Ų | 116 | 101.6 Ų | 101.6 | 81% | 0.811 | 64% | 0.643 | S | S | * | * | trans | 179.2 | 97.2 | 162 | 49.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1143 | S | 27.3 | Very low | 33.4 | Very low | 124 Ų | 124 | 108.6 Ų | 108.6 | 87% | 0.867 | 68% | 0.68 | S | S | * | * | trans | -168.3 | 80.5 | 150.3 | 58 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1144 | S | 24.4 | Very low | 30.8 | Very low | 123 Ų | 123 | 112.9 Ų | 112.9 | 86% | 0.86 | 71% | 0.71 | S | S | * | * | trans | -114.3 | 80.6 | 156.5 | 57.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1145 | S | 25.8 | Very low | 28.5 | Very low | 107 Ų | 107 | 116.1 Ų | 116.1 | 75% | 0.748 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -160.6 | 89.9 | 157 | 57.8 | 0 | 0 | 0 | 0 | 108.3 | T1147 | S1145-T1147 PolarHBondContact O-N 3Š|
| 1146 | T | 23.1 | Very low | 26.9 | Very low | 132 Ų | 132 | 119.6 Ų | 119.6 | 81% | 0.81 | 74% | 0.737 | S | S | * | * | trans | 17.8 | 98.2 | 148.7 | -44.3 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1147 | T | 22 | Very low | 25.7 | Very low | 116 Ų | 116 | 121.2 Ų | 121.2 | 71% | 0.712 | 76% | 0.755 | S | S | * | * | 63.5 | 126 | 123.4 | -33.8 | 0 | 0 | 0 | 0 | 120.4 | S1145 | S1145-T1147 PolarHBondContact O-N 3Š| |||
| 1148 | Q | 24 | Very low | 25 | Very low | 168 Ų | 168 | 124.8 Ų | 124.8 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | trans | 89 | 81.3 | 158.8 | -76.6 | 169.4 | 11 | 0 | 0 | 118.1 | ||||
| 1149 | C | 19.5 | Very low | 25.3 | Very low | 137 Ų | 137 | 124.1 Ų | 124.1 | 93% | 0.926 | 77% | 0.768 | S | S | * | * | trans | -129.3 | 105.3 | 142.4 | -73.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1150 | I | 24.5 | Very low | 24.7 | Very low | 164 Ų | 164 | 126.4 Ų | 126.4 | 84% | 0.841 | 77% | 0.77 | S | S | * | * | trans | -88.2 | 124 | 167.7 | -70.7 | 172.7 | 0 | 0 | 0 | 107.1 | ||||
| 1151 | G | 22.5 | Very low | 24.3 | Very low | 58 Ų | 58 | 128 Ų | 128 | 60% | 0.598 | 78% | 0.78 | S | S | * | * | trans | 42.3 | 116.3 | 137.8 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1152 | D | 19.4 | Very low | 24.1 | Very low | 148 Ų | 148 | 129.1 Ų | 129.1 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | 51.4 | 114.6 | 128.5 | -63 | -23 | 0 | 0 | 0 | 119.8 | |||||
| 1153 | N | 23.8 | Very low | 24 | Very low | 153 Ų | 153 | 131.7 Ų | 131.7 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | 178.3 | 132.6 | 105.5 | -87.6 | -37.6 | 0 | 0 | 0 | 114 | |||||
| 1154 | S | 21.8 | Very low | 23.8 | Very low | 98 Ų | 98 | 130.5 Ų | 130.5 | 69% | 0.685 | 76% | 0.764 | S | S | * | * | trans | 24.4 | 126.5 | 143.6 | 67.1 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1155 | V | 22.7 | Very low | 23.7 | Very low | 122 Ų | 122 | 131 Ų | 131 | 74% | 0.739 | 76% | 0.757 | S | S | * | * | 44.3 | 104.8 | 126.9 | -171.5 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 1156 | D | 21.7 | Very low | 23.7 | Very low | 147 Ų | 147 | 132 Ų | 132 | 79% | 0.786 | 75% | 0.754 | S | S | * | * | 178 | 149.4 | 112.4 | -103.1 | -31.1 | 0 | 0 | 0 | 114.2 | |||||
| 1157 | S | 22.9 | Very low | 24.1 | Very low | 107 Ų | 107 | 132.5 Ų | 132.5 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | trans | 68.6 | 98.6 | 154.8 | 49.8 | 0 | 0 | 0 | 0 | 122 | ||||
| 1158 | N | 24.7 | Very low | 24.3 | Very low | 162 Ų | 162 | 134 Ų | 134 | 87% | 0.866 | 75% | 0.754 | S | S | * | * | 42.1 | 155.5 | 112.6 | -93.7 | 4.5 | 0 | 0 | 0 | 123.2 | |||||
| 1159 | P | 43.2 | Very low | 24.4 | Very low | 105 Ų | 105 | 132.4 Ų | 132.4 | 68% | 0.682 | 75% | 0.751 | S | S | * | * | -120.9 | -173 | -125.9 | 36.3 | -17.8 | 0 | 0 | 0 | 114.3 | |||||
| 1160 | E | 21.5 | Very low | 24.8 | Very low | 170 Ų | 170 | 131.8 Ų | 131.8 | 79% | 0.794 | 74% | 0.738 | S | S | * | * | trans | 107.4 | 146.5 | 157.7 | -63.1 | -170.4 | 163.8 | 0 | 0 | 118.1 | ||||
| 1161 | T | 22.9 | Very low | 24.8 | Very low | 123 Ų | 123 | 129.3 Ų | 129.3 | 76% | 0.755 | 73% | 0.731 | S | S | * | * | trans | 77.4 | 138.4 | 169.8 | 68.6 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1162 | N | 22.6 | Very low | 24.8 | Very low | 132 Ų | 132 | 134.8 Ų | 134.8 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | cis | 177.3 | 164.4 | -18.5 | -112.9 | -27.3 | 0 | 0 | 0 | 102.5 | ||||
| 1163 | Q | 24.5 | Very low | 25.1 | Very low | 169 Ų | 169 | 135.1 Ų | 135.1 | 79% | 0.79 | 74% | 0.743 | S | S | * | * | trans | 75.7 | 137.6 | 158.8 | -72.9 | 163.6 | 26.3 | 0 | 0 | 116.2 | ||||
| 1164 | T | 22.1 | Very low | 25.1 | Very low | 100 Ų | 100 | 131.9 Ų | 131.9 | 61% | 0.613 | 75% | 0.746 | S | S | * | * | cis | 177.4 | 151.2 | -4.8 | 17.9 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 1165 | D | 23.7 | Very low | 25.2 | Very low | 133 Ų | 133 | 132.3 Ų | 132.3 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | trans | 67.6 | 138.8 | 144.2 | -57.9 | -8.4 | 0 | 0 | 0 | 117.1 | ||||
| 1166 | D | 24.9 | Very low | 25.3 | Very low | 127 Ų | 127 | 136.5 Ų | 136.5 | 68% | 0.679 | 76% | 0.757 | S | S | * | * | cis | -170.9 | 168 | 21.3 | -105.8 | -28.9 | 0 | 0 | 0 | 108.9 | ||||
| 1167 | N | 32.1 | Very low | 25.4 | Very low | 143 Ų | 143 | 134.2 Ų | 134.2 | 77% | 0.765 | 76% | 0.759 | S | S | * | * | trans | 101.8 | 76.1 | 158.1 | -56.5 | -43.1 | 0 | 0 | 0 | 119.4 | ||||
| 1168 | I | 26.3 | Very low | 25.4 | Very low | 149 Ų | 149 | 137.4 Ų | 137.4 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | -0.4 | 121.3 | 115.2 | -60.9 | 161.6 | 0 | 0 | 0 | 115 | |||||
| 1169 | D | 25.3 | Very low | 25.5 | Very low | 133 Ų | 133 | 133.9 Ų | 133.9 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | 176.1 | 148.7 | 97.9 | -127.3 | -11.3 | 0 | 0 | 0 | 114 | |||||
| 1170 | N | 28.3 | Very low | 24.5 | Very low | 124 Ų | 124 | 133.9 Ų | 133.9 | 66% | 0.663 | 76% | 0.761 | S | S | * | * | trans | 89.4 | 84.4 | 158.4 | -55.1 | -37.7 | 0 | 0 | 0 | 121.5 | ||||
| 1171 | T | 23.9 | Very low | 24.7 | Very low | 112 Ų | 112 | 133.8 Ų | 133.8 | 69% | 0.687 | 77% | 0.765 | S | S | * | * | 42.1 | 116 | 117.3 | 47.3 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 1172 | E | 23.4 | Very low | 24.7 | Very low | 174 Ų | 174 | 136.3 Ų | 136.3 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | 79.5 | 134.5 | 126.7 | -65.7 | -177.6 | 165.7 | 0 | 0 | 121.1 | |||||
| 1173 | D | 24.5 | Very low | 24.7 | Very low | 155 Ų | 155 | 133.2 Ų | 133.2 | 83% | 0.829 | 75% | 0.751 | S | S | * | * | trans | 81.7 | 50.5 | 163.8 | -62.5 | -11.7 | 0 | 0 | 0 | 119.9 | ||||
| 1174 | G | 24.6 | Very low | 24.6 | Very low | 85 Ų | 85 | 131.3 Ų | 131.3 | 88% | 0.876 | 75% | 0.753 | S | S | * | * | trans | -107.1 | 70.8 | 161 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1175 | S | 23.5 | Very low | 24.7 | Very low | 106 Ų | 106 | 131.7 Ų | 131.7 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | trans | -147.6 | 62.4 | 173.5 | 66.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1176 | K | 24.5 | Very low | 24.8 | Very low | 211 Ų | 211 | 132.1 Ų | 132.1 | 92% | 0.917 | 75% | 0.747 | S | S | * | * | trans | -152.5 | 74.7 | 160.5 | -74.2 | -167 | 179.8 | 168.8 | 0 | 111.6 | ||||
| 1177 | A | 25.1 | Very low | 24.7 | Very low | 99 Ų | 99 | 134.5 Ų | 134.5 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | trans | -167.7 | 53.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1178 | I | 22.8 | Very low | 24.2 | Very low | 173 Ų | 173 | 134.6 Ų | 134.6 | 89% | 0.887 | 75% | 0.754 | S | S | * | * | trans | -143.6 | 138.6 | 160 | -54.6 | 180 | 0 | 0 | 0 | 108.9 | ||||
| 1179 | A | 25.2 | Very low | 24 | Very low | 88 Ų | 88 | 132.6 Ų | 132.6 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | trans | 95.6 | 53.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1180 | S | 23.3 | Very low | 23.9 | Very low | 105 Ų | 105 | 134.4 Ų | 134.4 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | trans | -121.5 | 72.3 | 146.4 | 70.2 | 0 | 0 | 0 | 0 | 109.8 | K1182 | S1180-K1182 VanDerWaalsContact C-N 3.26Å; S1180-K1182 PolarHBondContact O-N 2.77Å | ||
| 1181 | I | 24.9 | Very low | 23.8 | Very low | 169 Ų | 169 | 135.8 Ų | 135.8 | 87% | 0.867 | 76% | 0.761 | S | S | * | * | trans | -74.3 | 89.6 | 164.1 | -62.4 | 173.5 | 0 | 0 | 0 | 105.8 | T1183 | I1181-T1183 PolarHBondContact O-N 2.87Š| ||
| 1182 | K | 22.7 | Very low | 23.8 | Very low | 175 Ų | 175 | 138.4 Ų | 138.4 | 76% | 0.761 | 76% | 0.763 | S | S | * | * | trans | -67.8 | 123.1 | 169.6 | -73.9 | 179.6 | 176.6 | 178.8 | 0 | 108.1 | S1180 | S1180-K1182 VanDerWaalsContact C-N 3.26Å; S1180-K1182 PolarHBondContact O-N 2.77Å | ||
| 1183 | T | 22.8 | Very low | 23.9 | Very low | 68 Ų | 68 | 137.7 Ų | 137.7 | 42% | 0.417 | 77% | 0.765 | S | S | . | * | trans | -48 | 128.3 | 153.8 | 29.3 | 0 | 0 | 0 | 0 | 107.9 | I1181 T1185 Q1533 | I1181-T1183 PolarHBondContact O-N 2.87Å; T1183-T1185 PolarHBondContact O-N 3.37Å; T1183-Q1533 PolarHBondContact OG1-OE1 3.34Å; T1183-Q1533 VanDerWaalsContact OG1-OE1 3.06Å | ||
| 1184 | P | 22.5 | Very low | 24.1 | Very low | 128 Ų | 128 | 137.3 Ų | 137.3 | 83% | 0.831 | 76% | 0.763 | S | S | * | * | trans | -75 | 79.5 | -180 | 31.2 | -32 | 0 | 0 | 0 | 108 | R1186 | P1184-R1186 PolarHBondContact O-N 3.34Š| ||
| 1185 | T | 24.6 | Very low | 24.3 | Very low | 109 Ų | 109 | 138 Ų | 138 | 67% | 0.669 | 75% | 0.754 | S | S | * | * | trans | -56.6 | 118.6 | 155.1 | 29.4 | 0 | 0 | 0 | 0 | 106.3 | T1183 Q1187 | T1183-T1185 PolarHBondContact O-N 3.37Å; T1185-Q1187 PolarHBondContact O-N 3.38Å | ||
| 1186 | R | 25.6 | Very low | 24.6 | Very low | 142 Ų | 142 | 140.5 Ų | 140.5 | 54% | 0.536 | 76% | 0.759 | S | S | . | * | S | Bend | trans | -58.1 | 77.6 | 174.6 | -81 | -178.1 | 173.1 | 169.1 | 6.1 | 110.2 | P1184 L1312 | P1184-R1186 PolarHBondContact O-N 3.34Å; R1186-L1312 PolarHBondContact NH2-O 3.06Å |
| 1187 | Q | 22.6 | Very low | 24.8 | Very low | 177 Ų | 177 | 139.2 Ų | 139.2 | 83% | 0.827 | 76% | 0.756 | S | S | * | * | trans | -125.9 | 66 | 162.7 | -81.3 | -171.7 | -18.5 | 0 | 0 | 107.5 | T1185 | T1185-Q1187 PolarHBondContact O-N 3.38Š| ||
| 1188 | L | 21.1 | Very low | 25.1 | Very low | 144 Ų | 144 | 141.9 Ų | 141.9 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | trans | -93.2 | 86.3 | 161 | -99.5 | 152.5 | 0 | 0 | 0 | 106.6 | F1190 | L1188-F1190 HydrophobicContact CB-CD2 4.25Å; L1188-F1190 HydrophobicContact CB-CE2 3.87Å; L1188-F1190 HydrophobicContact CD2-CE2 4.27Å; L1188-F1190 HydrophobicContact CD2-CZ 4.17Å; L1188-F1190 WeakPolarHBondContact O-CD2 3.3Å; L1188-F1190 PolarHBondContact O-N 3.44Å; L1188-F1190 VanDerWaalsContact O-N 3.1Å | ||
| 1189 | S | 22.5 | Very low | 25.2 | Very low | 107 Ų | 107 | 140 Ų | 140 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | trans | -66.7 | 97.2 | 166.1 | 53 | 0 | 0 | 0 | 0 | 108.4 | I1191 | S1189-I1191 PolarHBondContact O-N 3.3Š| ||
| 1190 | F | 23.2 | Very low | 25.6 | Very low | 171 Ų | 171 | 141.6 Ų | 141.6 | 75% | 0.75 | 76% | 0.764 | S | S | * | * | trans | -78 | 102.5 | 170.8 | -77.7 | -82.6 | 0 | 0 | 0 | 108.9 | L1188 F1192 | L1188-F1190 HydrophobicContact CB-CD2 4.25Å; L1188-F1190 HydrophobicContact CB-CE2 3.87Å; L1188-F1190 HydrophobicContact CD2-CE2 4.27Å; L1188-F1190 HydrophobicContact CD2-CZ 4.17Å; L1188-F1190 WeakPolarHBondContact O-CD2 3.3Å; L1188-F1190 PolarHBondContact O-N 3.44Å; L1188-F1190 VanDerWaalsContact O-N 3.1Å; F1190-F1192 PolarHBondContact O-N 3.27Å | ||
| 1191 | I | 25.8 | Very low | 26.1 | Very low | 153 Ų | 153 | 146 Ų | 146 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | trans | -74 | 117.4 | 161.7 | -65.9 | 175.3 | 0 | 0 | 0 | 106.3 | S1189 D1193 | S1189-I1191 PolarHBondContact O-N 3.3Å; I1191-D1193 PolarHBondContact O-N 2.94Å | ||
| 1192 | F | 25.6 | Very low | 26.5 | Very low | 168 Ų | 168 | 146.9 Ų | 146.9 | 74% | 0.737 | 76% | 0.759 | S | S | * | * | trans | -63.1 | 108.2 | 172.3 | -97.8 | -96.6 | 0 | 0 | 0 | 109.5 | F1190 | F1190-F1192 PolarHBondContact O-N 3.27Š| ||
| 1193 | D | 24.7 | Very low | 27.7 | Very low | 158 Ų | 158 | 142.5 Ų | 142.5 | 85% | 0.845 | 74% | 0.744 | S | S | * | * | trans | -101.5 | 103.1 | 155.4 | -104.6 | -24 | 0 | 0 | 0 | 108.4 | I1191 S1195 | I1191-D1193 PolarHBondContact O-N 2.94Å; D1193-S1195 PolarHBondContact O-N 3.45Å | ||
| 1194 | N | 29.1 | Very low | 29.2 | Very low | 147 Ų | 147 | 144.6 Ų | 144.6 | 79% | 0.786 | 75% | 0.753 | S | S | * | * | trans | -71 | 98.1 | 173.6 | -97.8 | -23.1 | 0 | 0 | 0 | 109.3 | ||||
| 1195 | S | 28.2 | Very low | 30.7 | Very low | 99 Ų | 99 | 141.2 Ų | 141.2 | 69% | 0.692 | 73% | 0.726 | S | S | * | * | trans | -159.1 | 131.7 | 147.5 | 53.7 | 0 | 0 | 0 | 0 | 112.4 | D1193 | D1193-S1195 PolarHBondContact O-N 3.45Š| ||
| 1196 | N | 29.1 | Very low | 32.4 | Very low | 159 Ų | 159 | 136.8 Ų | 136.8 | 85% | 0.85 | 70% | 0.699 | S | S | * | * | trans | 76.4 | 94.6 | 161.3 | -60.9 | -14.1 | 0 | 0 | 0 | 118.8 | ||||
| 1197 | Q | 29.5 | Very low | 34.4 | Very low | 185 Ų | 185 | 133.9 Ų | 133.9 | 86% | 0.864 | 70% | 0.695 | S | S | * | * | trans | -16.4 | 143.1 | 139.1 | -117.2 | 151.2 | -18.1 | 0 | 0 | 115.9 | ||||
| 1198 | D | 31 | Very low | 36.9 | Very low | 154 Ų | 154 | 126.7 Ų | 126.7 | 82% | 0.824 | 66% | 0.661 | S | S | * | * | trans | 96.4 | 69.1 | 171 | -55.8 | -18.8 | 0 | 0 | 0 | 116.9 | ||||
| 1199 | C | 25.4 | Very low | 39.5 | Very low | 135 Ų | 135 | 120.9 Ų | 120.9 | 91% | 0.912 | 63% | 0.63 | S | S | * | * | trans | -144.5 | 85.7 | 156.3 | -103.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1200 | S | 33.8 | Very low | 41.9 | Very low | 121 Ų | 121 | 117.5 Ų | 117.5 | 85% | 0.846 | 60% | 0.602 | S | S | * | * | trans | -97.1 | 82.5 | 168.6 | 64.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1201 | Y | 34.3 | Very low | 44.3 | Very low | 196 Ų | 196 | 112.9 Ų | 112.9 | 77% | 0.769 | 58% | 0.583 | S | S | * | * | trans | -155.2 | 22.7 | 168.2 | -160.9 | -107.8 | 0 | 0 | 0 | 116.6 | ||||
| 1202 | Y | 32.8 | Very low | 46.8 | Very low | 188 Ų | 188 | 105.7 Ų | 105.7 | 74% | 0.737 | 55% | 0.546 | S | S | * | . | trans | -147.6 | 104.7 | 173.4 | -72.7 | -79.6 | 0 | 0 | 0 | 111.7 | ||||
| 1203 | D | 46.7 | Very low | 49.3 | Very low | 84 Ų | 84 | 97.7 Ų | 97.7 | 45% | 0.449 | 51% | 0.511 | S | S | . | . | trans | -173 | 26.7 | 143.7 | -146.1 | 1.1 | 0 | 0 | 0 | 115.9 | Q1205 S1206 K1319 | D1203-Q1205 PolarHBondContact O-N 3.06Å; D1203-Q1205 VanDerWaalsContact O-N 3.14Å; D1203-S1206 PolarHBondContact O-N 3.08Å; D1203-S1206 WeakPolarHBondContact OD1-CB 3.42Å; D1203-S1206 PolarHBondContact OD1-OG 3.4Å; D1203-S1206 PolarHBondContact OD2-OG 3.19Å; D1203-K1319 IonicContact OD2-NZ 2.67Å; D1203-K1319 PolarHBondContact OD2-NZ 3.01Å; D1203-K1319 VanDerWaalsContact OD2-NZ 3.09Å | ||
| 1204 | D | 54.6 | Low | 51.5 | Low | 111 Ų | 111 | 90.5 Ų | 90.5 | 59% | 0.594 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -60.7 | -25.5 | -175.2 | -103.6 | -49.5 | 0 | 0 | 0 | 114.7 | R1082 | R1082-D1204 IonicContact CZ-OD1 2.77Å; R1082-D1204 IonicContact NH2-OD1 2.77Å; R1082-D1204 PolarHBondContact NH2-OD1 3.33Å |
| 1205 | Q | 55.3 | Low | 53.3 | Low | 58 Ų | 58 | 90 Ų | 90 | 27% | 0.271 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -80.3 | -40.4 | -176.5 | -69.3 | 178 | 25 | 0 | 0 | 113.3 | I1136 D1203 D1207 E1208 I1209 | I1136-Q1205 HydrophobicContact CB-CG 4.46Å; I1136-Q1205 HydrophobicContact CG2-CG 4.47Å; D1203-Q1205 PolarHBondContact O-N 3.06Å; D1203-Q1205 VanDerWaalsContact O-N 3.14Å; Q1205-D1207 PolarHBondContact O-N 3.08Å; Q1205-E1208 PolarHBondContact O-N 3.49Å; Q1205-I1209 PolarHBondContact O-N 3.41Å |
| 1206 | S | 59.7 | Low | 55.5 | Low | 16 Ų | 16 | 87.1 Ų | 87.1 | 11% | 0.112 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -69 | -28.3 | -178.2 | 81.1 | 0 | 0 | 0 | 0 | 111.2 | D1203 F1210 K1319 | D1203-S1206 PolarHBondContact O-N 3.08Å; D1203-S1206 WeakPolarHBondContact OD1-CB 3.42Å; D1203-S1206 PolarHBondContact OD1-OG 3.4Å; D1203-S1206 PolarHBondContact OD2-OG 3.19Å; S1206-F1210 WeakPolarHBondContact O-CB 3.37Å; S1206-F1210 PolarHBondContact O-N 3.46Å; S1206-K1319 PolarHBondContact OG-NZ 3.26Å |
| 1207 | D | 67.3 | Low | 57.7 | Low | 81 Ų | 81 | 81.9 Ų | 81.9 | 43% | 0.433 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -69.7 | -36.1 | 176.7 | -76.7 | -4.1 | 0 | 0 | 0 | 112.8 | Q1205 H1211 K1319 | Q1205-D1207 PolarHBondContact O-N 3.08Å; D1207-H1211 WeakPolarHBondContact O-CB 3.49Å; D1207-H1211 PolarHBondContact O-N 2.87Å; D1207-K1319 IonicContact OD1-NZ 3.97Å; D1207-K1319 PolarHBondContact OD1-NZ 3.15Å; D1207-K1319 VanDerWaalsContact OD1-NZ 3.07Å |
| 1208 | E | 74.8 | Confident | 60.4 | Low | 25 Ų | 25 | 73 Ų | 73 | 12% | 0.117 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -68.7 | -43.4 | 175.1 | -75.3 | -172.8 | -172.9 | 0 | 0 | 112.3 | R1081 R1082 Q1205 H1211 L1212 | R1081-E1208 IonicContact CZ-OE2 3.76Å; R1081-E1208 VanDerWaalsContact CZ-OE2 3.29Å; R1081-E1208 IonicContact NE-OE2 2.95Å; R1081-E1208 PolarHBondContact NE-OE2 2.96Å; R1081-E1208 IonicContact NH2-OE1 3.95Å; R1081-E1208 IonicContact NH2-OE2 2.71Å; R1081-E1208 PolarHBondContact NH2-OE2 3.42Å; R1082-E1208 IonicContact CZ-OE1 3.91Å; R1082-E1208 IonicContact NE-OE1 3.08Å; R1082-E1208 PolarHBondContact NE-OE1 3.31Å; R1082-E1208 IonicContact NH2-OE1 2.7Å; R1082-E1208 PolarHBondContact NH2-OE1 3.28Å; Q1205-E1208 PolarHBondContact O-N 3.49Å; E1208-H1211 PolarHBondContact O-N 3.05Å; E1208-L1212 PolarHBondContact O-N 2.89Å |
| 1209 | I | 75.3 | Confident | 62.9 | Low | 23 Ų | 23 | 66 Ų | 66 | 12% | 0.118 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.2 | -45.8 | 177.1 | -63.9 | 172.3 | 0 | 0 | 0 | 109.7 | F1129 T1133 Q1205 L1213 M1311 | F1129-I1209 HydrophobicContact CE1-CG1 4.39Å; T1133-I1209 HydrophobicContact CG2-CG1 4.34Å; Q1205-I1209 PolarHBondContact O-N 3.41Å; I1209-L1213 HydrophobicContact CG2-CD1 3.68Å; I1209-L1213 HydrophobicContact CG2-CG 4.33Å; I1209-L1213 WeakPolarHBondContact O-CB 3.34Å; I1209-L1213 WeakPolarHBondContact O-CG 3.38Å; I1209-L1213 PolarHBondContact O-N 2.62Å; I1209-M1311 HydrophobicContact CD1-CE 3.81Å; I1209-M1311 HydrophobicContact CG1-CE 3.95Å; I1209-M1311 HydrophobicContact CG2-CB 4.38Å |
| 1210 | F | 73.5 | Confident | 65.6 | Low | 36 Ų | 36 | 61 Ų | 61 | 16% | 0.158 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.3 | -46 | 175 | -179.8 | -96.1 | 0 | 0 | 0 | 111.5 | S1206 L1212 I1214 K1215 K1319 | S1206-F1210 WeakPolarHBondContact O-CB 3.37Å; S1206-F1210 PolarHBondContact O-N 3.46Å; F1210-L1212 PolarHBondContact O-N 3.04Å; F1210-I1214 HydrophobicContact CD2-CB 4.22Å; F1210-I1214 HydrophobicContact CD2-CD1 3.4Å; F1210-I1214 HydrophobicContact CD2-CG1 4.42Å; F1210-I1214 HydrophobicContact CD2-CG2 4.35Å; F1210-I1214 HydrophobicContact CE2-CB 4.14Å; F1210-I1214 HydrophobicContact CE2-CD1 3.63Å; F1210-I1214 HydrophobicContact CE2-CG1 4.48Å; F1210-I1214 HydrophobicContact CE2-CG2 3.77Å; F1210-I1214 HydrophobicContact CG-CD1 4.36Å; F1210-I1214 HydrophobicContact CZ-CG2 3.88Å; F1210-I1214 WeakPolarHBondContact O-CA 3.3Å; F1210-I1214 VanDerWaalsContact O-CB 3.27Å; F1210-I1214 WeakPolarHBondContact O-CB 3.44Å; F1210-I1214 PolarHBondContact O-N 2.67Å; F1210-K1215 PolarHBondContact O-N 2.94Å; F1210-K1319 HydrophobicContact CD2-CB 3.88Å; F1210-K1319 HydrophobicContact CE2-CB 3.6Å; F1210-K1319 HydrophobicContact CZ-CB 4.26Å |
| 1211 | H | 74 | Confident | 68.2 | Low | 73 Ų | 73 | 56.3 Ų | 56.3 | 34% | 0.338 | 26% | 0.261 | S | S | . | . | I | π-helix | trans | -60.7 | -47.4 | -179.4 | -169.2 | -70.3 | 0 | 0 | 0 | 112.1 | D1207 E1208 K1215 C1216 | D1207-H1211 WeakPolarHBondContact O-CB 3.49Å; D1207-H1211 PolarHBondContact O-N 2.87Å; E1208-H1211 PolarHBondContact O-N 3.05Å; H1211-K1215 PolarHBondContact NE2-NZ 3.06Å; H1211-K1215 CarbonylContact O-C 3.59Å; H1211-K1215 WeakPolarHBondContact O-CB 3.5Å; H1211-K1215 PolarHBondContact O-N 3.44Å; H1211-C1216 PolarHBondContact CE1-SG 2.84Å; H1211-C1216 PolarHBondContact ND1-SG 3.17Å; H1211-C1216 VanDerWaalsContact ND1-SG 3.42Å; H1211-C1216 PolarHBondContact O-N 3.4Å; H1211-C1216 PolarHBondContact O-SG 3.01Å; H1211-C1216 VanDerWaalsContact O-SG 3.38Å |
| 1212 | L | 78.4 | Confident | 70.8 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | I | π-helix | trans | -70.5 | -55.1 | -178.9 | 176.6 | 59.4 | 0 | 0 | 0 | 112.3 | V1085 Q1089 F1125 F1129 E1208 F1210 F1218 | V1085-L1212 HydrophobicContact CG1-CB 4.41Å; V1085-L1212 HydrophobicContact CG1-CD1 3.57Å; V1085-L1212 HydrophobicContact CG1-CD2 4.07Å; V1085-L1212 HydrophobicContact CG1-CG 4.22Å; Q1089-L1212 HydrophobicContact CB-CD1 4.37Å; Q1089-L1212 HydrophobicContact CG-CD1 4.19Å; F1125-L1212 HydrophobicContact CE1-CD2 4.19Å; F1125-L1212 HydrophobicContact CZ-CD1 4.23Å; F1125-L1212 HydrophobicContact CZ-CD2 3.86Å; F1129-L1212 HydrophobicContact CD1-CD2 3.84Å; F1129-L1212 HydrophobicContact CD2-CD2 3.69Å; F1129-L1212 HydrophobicContact CE1-CD2 3.65Å; F1129-L1212 HydrophobicContact CE2-CB 4.42Å; F1129-L1212 HydrophobicContact CE2-CD2 3.49Å; F1129-L1212 VanDerWaalsContact CE2-CD2 3.49Å; F1129-L1212 HydrophobicContact CG-CD2 3.86Å; F1129-L1212 HydrophobicContact CZ-CB 4.03Å; F1129-L1212 HydrophobicContact CZ-CD2 3.47Å; F1129-L1212 VanDerWaalsContact CZ-CD2 3.47Å; F1129-L1212 HydrophobicContact CZ-CG 4.37Å; E1208-L1212 PolarHBondContact O-N 2.89Å; F1210-L1212 PolarHBondContact O-N 3.04Å; L1212-F1218 HydrophobicContact CD1-CB 4.42Å; L1212-F1218 WeakPolarHBondContact O-CB 3.45Å |
| 1213 | L | 76.7 | Confident | 73.5 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | I | π-helix | trans | -71.2 | -37.4 | -169.7 | -64.3 | -177.3 | 0 | 0 | 0 | 112 | I1209 F1218 L1219 M1311 L1312 | I1209-L1213 HydrophobicContact CG2-CD1 3.68Å; I1209-L1213 HydrophobicContact CG2-CG 4.33Å; I1209-L1213 WeakPolarHBondContact O-CB 3.34Å; I1209-L1213 WeakPolarHBondContact O-CG 3.38Å; I1209-L1213 PolarHBondContact O-N 2.62Å; L1213-F1218 HydrophobicContact CD2-CD1 3.86Å; L1213-F1218 PolarHBondContact O-N 3.28Å; L1213-L1219 WeakPolarHBondContact O-CB 2.96Å; L1213-L1219 PolarHBondContact O-N 3Å; L1213-M1311 HydrophobicContact CD1-CB 4.27Å; L1213-L1312 HydrophobicContact CD1-CD2 3.99Å; L1213-L1312 HydrophobicContact CD1-CG 4.3Å |
| 1214 | I | 71.3 | Confident | 75.4 | Confident | 7 Ų | 7 | 35.9 Ų | 35.9 | 4% | 0.036 | 18% | 0.177 | C | C | . | . | I | π-helix | trans | -105.1 | -63.3 | -172.7 | -70.3 | 155.7 | 0 | 0 | 0 | 111 | F1210 C1216 N1217 L1312 F1320 | F1210-I1214 HydrophobicContact CD2-CB 4.22Å; F1210-I1214 HydrophobicContact CD2-CD1 3.4Å; F1210-I1214 HydrophobicContact CD2-CG1 4.42Å; F1210-I1214 HydrophobicContact CD2-CG2 4.35Å; F1210-I1214 HydrophobicContact CE2-CB 4.14Å; F1210-I1214 HydrophobicContact CE2-CD1 3.63Å; F1210-I1214 HydrophobicContact CE2-CG1 4.48Å; F1210-I1214 HydrophobicContact CE2-CG2 3.77Å; F1210-I1214 HydrophobicContact CG-CD1 4.36Å; F1210-I1214 HydrophobicContact CZ-CG2 3.88Å; F1210-I1214 WeakPolarHBondContact O-CA 3.3Å; F1210-I1214 VanDerWaalsContact O-CB 3.27Å; F1210-I1214 WeakPolarHBondContact O-CB 3.44Å; F1210-I1214 PolarHBondContact O-N 2.67Å; I1214-C1216 VanDerWaalsContact C-N 3.29Å; I1214-C1216 PolarHBondContact O-N 3.28Å; I1214-N1217 PolarHBondContact O-N 2.82Å; I1214-N1217 PolarHBondContact O-OD1 3.41Å; I1214-L1312 HydrophobicContact CD1-CD2 4.06Å; I1214-F1320 HydrophobicContact CB-CD2 4.1Å; I1214-F1320 HydrophobicContact CD1-CB 3.64Å; I1214-F1320 HydrophobicContact CD1-CD2 3.95Å; I1214-F1320 HydrophobicContact CD1-CG 4.03Å; I1214-F1320 HydrophobicContact CG1-CB 4.31Å; I1214-F1320 HydrophobicContact CG1-CD2 3.64Å; I1214-F1320 HydrophobicContact CG1-CE2 4.23Å; I1214-F1320 HydrophobicContact CG1-CG 4.17Å; I1214-F1320 HydrophobicContact CG2-CD2 3.4Å; I1214-F1320 HydrophobicContact CG2-CE2 3.96Å; I1214-F1320 HydrophobicContact CG2-CG 4.45Å |
| 1215 | K | 68.4 | Low | 77.1 | Confident | 137 Ų | 137 | 31 Ų | 31 | 60% | 0.596 | 15% | 0.15 | S | C | * | . | I | π-helix | trans | -65.1 | -33.9 | -171.3 | -171.9 | -178.3 | 169.6 | -165.5 | 0 | 112.5 | F1210 H1211 N1217 | F1210-K1215 PolarHBondContact O-N 2.94Å; H1211-K1215 PolarHBondContact NE2-NZ 3.06Å; H1211-K1215 CarbonylContact O-C 3.59Å; H1211-K1215 WeakPolarHBondContact O-CB 3.5Å; H1211-K1215 PolarHBondContact O-N 3.44Å; K1215-N1217 VanDerWaalsContact C-N 3.33Å |
| 1216 | C | 72.8 | Confident | 78.8 | Confident | 37 Ų | 37 | 28.2 Ų | 28.2 | 25% | 0.25 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 9.1 | 174.3 | -60.9 | 0 | 0 | 0 | 0 | 113.7 | Q1089 H1211 I1214 F1218 | Q1089-C1216 PolarHBondContact NE2-O 3.34Å; H1211-C1216 PolarHBondContact CE1-SG 2.84Å; H1211-C1216 PolarHBondContact ND1-SG 3.17Å; H1211-C1216 VanDerWaalsContact ND1-SG 3.42Å; H1211-C1216 PolarHBondContact O-N 3.4Å; H1211-C1216 PolarHBondContact O-SG 3.01Å; H1211-C1216 VanDerWaalsContact O-SG 3.38Å; I1214-C1216 VanDerWaalsContact C-N 3.29Å; I1214-C1216 PolarHBondContact O-N 3.28Å; C1216-F1218 PolarHBondContact O-N 3.03Å; C1216-F1218 VanDerWaalsContact O-N 3.16Å |
| 1217 | N | 76.4 | Confident | 80.2 | Confident | 49 Ų | 49 | 28.5 Ų | 28.5 | 26% | 0.262 | 14% | 0.139 | S | C | . | . | trans | 57.2 | 24.5 | 177.1 | -66.3 | -35.2 | 0 | 0 | 0 | 115.5 | I1214 K1215 R1220 W1221 | I1214-N1217 PolarHBondContact O-N 2.82Å; I1214-N1217 PolarHBondContact O-OD1 3.41Å; K1215-N1217 VanDerWaalsContact C-N 3.33Å; N1217-R1220 PolarHBondContact O-N 3.14Å; N1217-W1221 WeakPolarHBondContact O-CB 3.43Å; N1217-W1221 PolarHBondContact O-N 2.89Å | ||
| 1218 | F | 85.1 | Confident | 81.2 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.9 | -45.5 | -179 | -175.7 | -102.7 | 0 | 0 | 0 | 112.1 | Q1089 T1093 L1122 F1125 M1126 L1212 L1213 C1216 R1220 W1221 T1222 V1304 | Q1089-F1218 HydrophobicContact CG-CD2 3.84Å; T1093-F1218 HydrophobicContact CG2-CD2 4.28Å; T1093-F1218 HydrophobicContact CG2-CE2 4.49Å; L1122-F1218 HydrophobicContact CD1-CE2 4.05Å; L1122-F1218 HydrophobicContact CD1-CZ 3.8Å; F1125-F1218 HydrophobicContact CD1-CZ 4.37Å; F1125-F1218 HydrophobicContact CE1-CE2 4.22Å; F1125-F1218 HydrophobicContact CE1-CZ 4.22Å; M1126-F1218 HydrophobicContact CE-CE1 4.27Å; M1126-F1218 HydrophobicContact CG-CE1 4.3Å; M1126-F1218 HydrophobicContact CG-CZ 4.27Å; M1126-F1218 HydrophobicContact SD-CD1 4.28Å; M1126-F1218 HydrophobicContact SD-CE1 3.34Å; M1126-F1218 WeakPolarHBondContact SD-CE1 3.27Å; M1126-F1218 HydrophobicContact SD-CZ 3.73Å; L1212-F1218 HydrophobicContact CD1-CB 4.42Å; L1212-F1218 WeakPolarHBondContact O-CB 3.45Å; L1213-F1218 HydrophobicContact CD2-CD1 3.86Å; L1213-F1218 PolarHBondContact O-N 3.28Å; C1216-F1218 PolarHBondContact O-N 3.03Å; C1216-F1218 VanDerWaalsContact O-N 3.16Å; F1218-R1220 VanDerWaalsContact C-N 3.35Å; F1218-R1220 PolarHBondContact O-N 2.93Å; F1218-W1221 HydrophobicContact CD2-CE3 4.46Å; F1218-W1221 HydrophobicContact CE2-CE3 4.27Å; F1218-W1221 HydrophobicContact CE2-CZ3 4.34Å; F1218-W1221 PolarHBondContact O-N 3.12Å; F1218-T1222 HydrophobicContact CD1-CG2 4.2Å; F1218-T1222 HydrophobicContact CE1-CG2 3.82Å; F1218-T1222 HydrophobicContact CE2-CG2 4.35Å; F1218-T1222 HydrophobicContact CZ-CG2 3.92Å; F1218-T1222 WeakPolarHBondContact O-CG2 3.46Å; F1218-T1222 PolarHBondContact O-N 3.38Å; F1218-V1304 HydrophobicContact CE1-CG1 3.86Å; F1218-V1304 HydrophobicContact CZ-CG1 3.94Å |
| 1219 | L | 84.6 | Confident | 81.9 | Confident | 5 Ų | 5 | 27.6 Ų | 27.6 | 3% | 0.026 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -57.3 | -49.4 | 178.2 | 178.2 | 65 | 0 | 0 | 0 | 110.8 | L1213 W1221 T1222 M1223 L1305 L1309 L1312 | L1213-L1219 WeakPolarHBondContact O-CB 2.96Å; L1213-L1219 PolarHBondContact O-N 3Å; L1219-W1221 PolarHBondContact O-N 3.5Å; L1219-T1222 PolarHBondContact O-N 3.42Å; L1219-T1222 PolarHBondContact O-OG1 3.33Å; L1219-M1223 HydrophobicContact CG-SD 4.27Å; L1219-M1223 WeakPolarHBondContact O-CG 2.69Å; L1219-M1223 PolarHBondContact O-N 2.97Å; L1219-L1305 HydrophobicContact CD1-CD1 3.71Å; L1219-L1309 HydrophobicContact CD1-CD2 3.92Å; L1219-L1309 HydrophobicContact CD1-CG 4.18Å; L1219-L1309 HydrophobicContact CD2-CD2 4.18Å; L1219-L1312 HydrophobicContact CD2-CD1 4.07Å |
| 1220 | R | 82.4 | Confident | 82.6 | Confident | 32 Ų | 32 | 26.5 Ų | 26.5 | 12% | 0.121 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.9 | -42.4 | 179.4 | -171.9 | 165.6 | -168 | -112.2 | -11.9 | 112.3 | N1217 F1218 T1222 M1223 Q1224 N1339 L1340 Q1341 V1343 E1351 | N1217-R1220 PolarHBondContact O-N 3.14Å; F1218-R1220 VanDerWaalsContact C-N 3.35Å; F1218-R1220 PolarHBondContact O-N 2.93Å; R1220-T1222 VanDerWaalsContact C-N 3.3Å; R1220-T1222 PolarHBondContact O-N 2.88Å; R1220-M1223 PolarHBondContact O-N 3.08Å; R1220-Q1224 HydrophobicContact CG-CG 4.44Å; R1220-Q1224 VanDerWaalsContact NH2-NE2 3.17Å; R1220-Q1224 WeakPolarHBondContact O-CG 3.25Å; R1220-Q1224 PolarHBondContact O-N 3.06Å; R1220-N1339 PolarHBondContact NH1-O 3.4Å; R1220-L1340 PolarHBondContact NH1-O 3.09Å; R1220-Q1341 PolarHBondContact NH1-O 2.85Å; R1220-V1343 VanDerWaalsContact NH2-CG2 3.34Å; R1220-E1351 IonicContact CZ-OE2 4Å; R1220-E1351 IonicContact NE-OE2 2.89Å; R1220-E1351 PolarHBondContact NE-OE2 3.36Å; R1220-E1351 IonicContact NH2-OE2 3.45Å; R1220-E1351 PolarHBondContact NH2-OE2 3.22Å; R1220-E1351 VanDerWaalsContact NH2-OE2 3.16Å |
| 1221 | W | 87.6 | Confident | 83.3 | Confident | 22 Ų | 22 | 27.8 Ų | 27.8 | 8% | 0.083 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -57.6 | -43.7 | 175.3 | 176.6 | 85.6 | 0 | 0 | 0 | 111.5 | T1093 F1096 T1097 L1122 N1217 F1218 L1219 Q1224 Q1225 | T1093-W1221 HydrophobicContact CG2-CD2 3.56Å; T1093-W1221 HydrophobicContact CG2-CE3 3.78Å; T1093-W1221 HydrophobicContact CG2-CG 3.97Å; T1093-W1221 HydrophobicContact CG2-CH2 4.35Å; T1093-W1221 HydrophobicContact CG2-CZ2 4.15Å; T1093-W1221 HydrophobicContact CG2-CZ3 4.17Å; F1096-W1221 HydrophobicContact CB-CH2 3.84Å; F1096-W1221 HydrophobicContact CB-CZ2 3.85Å; F1096-W1221 AromaticContact CD1-CH2 3.5Å; F1096-W1221 HydrophobicContact CD1-CH2 3.5Å; F1096-W1221 AromaticContact CD1-CZ2 3.62Å; F1096-W1221 HydrophobicContact CD1-CZ2 3.62Å; F1096-W1221 HydrophobicContact CD2-CH2 4.49Å; F1096-W1221 HydrophobicContact CE1-CH2 4.16Å; F1096-W1221 AromaticContact CG-CH2 3.7Å; F1096-W1221 HydrophobicContact CG-CH2 3.7Å; F1096-W1221 AromaticContact CG-CZ2 4Å; F1096-W1221 HydrophobicContact CG-CZ2 4Å; T1097-W1221 PolarHBondContact OG1-NE1 3Å; L1122-W1221 HydrophobicContact CD1-CZ3 4.3Å; L1122-W1221 HydrophobicContact CD2-CZ3 4.46Å; N1217-W1221 WeakPolarHBondContact O-CB 3.43Å; N1217-W1221 PolarHBondContact O-N 2.89Å; F1218-W1221 HydrophobicContact CD2-CE3 4.46Å; F1218-W1221 HydrophobicContact CE2-CE3 4.27Å; F1218-W1221 HydrophobicContact CE2-CZ3 4.34Å; F1218-W1221 PolarHBondContact O-N 3.12Å; L1219-W1221 PolarHBondContact O-N 3.5Å; W1221-Q1224 PolarHBondContact O-N 3.47Å; W1221-Q1225 HydrophobicContact CD2-CG 4.05Å; W1221-Q1225 HydrophobicContact CH2-CG 4.2Å; W1221-Q1225 HydrophobicContact CZ2-CG 3.66Å; W1221-Q1225 WeakPolarHBondContact O-CG 3.39Å; W1221-Q1225 PolarHBondContact O-N 3.38Å |
| 1222 | T | 88.8 | Confident | 83.9 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.8 | -43 | 178.2 | 64.2 | 0 | 0 | 0 | 0 | 112.5 | F1218 L1219 R1220 Q1224 Q1225 L1226 V1304 | F1218-T1222 HydrophobicContact CD1-CG2 4.2Å; F1218-T1222 HydrophobicContact CE1-CG2 3.82Å; F1218-T1222 HydrophobicContact CE2-CG2 4.35Å; F1218-T1222 HydrophobicContact CZ-CG2 3.92Å; F1218-T1222 WeakPolarHBondContact O-CG2 3.46Å; F1218-T1222 PolarHBondContact O-N 3.38Å; L1219-T1222 PolarHBondContact O-N 3.42Å; L1219-T1222 PolarHBondContact O-OG1 3.33Å; R1220-T1222 VanDerWaalsContact C-N 3.3Å; R1220-T1222 PolarHBondContact O-N 2.88Å; T1222-Q1224 PolarHBondContact O-N 2.66Å; T1222-Q1225 PolarHBondContact O-N 3.18Å; T1222-L1226 WeakPolarHBondContact O-CB 3.48Å; T1222-L1226 PolarHBondContact O-N 3Å; T1222-L1226 VanDerWaalsContact O-N 3.09Å; T1222-V1304 HydrophobicContact CG2-CG1 3.67Å |
| 1223 | M | 89.1 | Confident | 84.2 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.5 | -46 | 175.6 | -70.7 | 171.5 | 56.6 | 0 | 0 | 111.4 | L1219 R1220 L1226 S1227 L1305 F1348 E1351 L1352 L1355 | L1219-M1223 HydrophobicContact CG-SD 4.27Å; L1219-M1223 WeakPolarHBondContact O-CG 2.69Å; L1219-M1223 PolarHBondContact O-N 2.97Å; R1220-M1223 PolarHBondContact O-N 3.08Å; M1223-L1226 PolarHBondContact O-N 3.07Å; M1223-S1227 VanDerWaalsContact O-CB 3.27Å; M1223-S1227 WeakPolarHBondContact O-CB 3.47Å; M1223-S1227 PolarHBondContact O-N 3.37Å; M1223-L1305 HydrophobicContact CG-CD1 3.57Å; M1223-F1348 HydrophobicContact CE-CD2 4.5Å; M1223-F1348 HydrophobicContact CE-CE2 4.04Å; M1223-F1348 HydrophobicContact SD-CE2 3.84Å; M1223-F1348 HydrophobicContact SD-CZ 4.33Å; M1223-E1351 HydrophobicContact CE-CG 4.23Å; M1223-L1352 HydrophobicContact CE-CB 3.79Å; M1223-L1352 HydrophobicContact CE-CD1 3.66Å; M1223-L1352 HydrophobicContact CE-CG 4.33Å; M1223-L1352 HydrophobicContact SD-CD1 4.02Å; M1223-L1355 HydrophobicContact CB-CD2 3.89Å; M1223-L1355 HydrophobicContact CG-CD2 3.88Å |
| 1224 | Q | 86.6 | Confident | 84.6 | Confident | 38 Ų | 38 | 29.2 Ų | 29.2 | 18% | 0.178 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.5 | -45.7 | 179.8 | -73.6 | 179.6 | -12 | 0 | 0 | 112.4 | R1220 W1221 T1222 L1226 S1227 R1228 E1351 | R1220-Q1224 HydrophobicContact CG-CG 4.44Å; R1220-Q1224 VanDerWaalsContact NH2-NE2 3.17Å; R1220-Q1224 WeakPolarHBondContact O-CG 3.25Å; R1220-Q1224 PolarHBondContact O-N 3.06Å; W1221-Q1224 PolarHBondContact O-N 3.47Å; T1222-Q1224 PolarHBondContact O-N 2.66Å; Q1224-L1226 VanDerWaalsContact C-N 3.29Å; Q1224-L1226 PolarHBondContact O-N 3.23Å; Q1224-S1227 PolarHBondContact O-N 2.97Å; Q1224-R1228 WeakPolarHBondContact O-CG 3.24Å; Q1224-R1228 PolarHBondContact O-N 3.34Å; Q1224-E1351 VanDerWaalsContact CG-OE1 3.29Å; Q1224-E1351 WeakPolarHBondContact CG-OE1 3.49Å |
| 1225 | Q | 90.2 | Very high | 85.1 | Confident | 8 Ų | 8 | 34.8 Ų | 34.8 | 4% | 0.037 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.4 | -39.5 | 178.5 | -61.5 | -38.8 | -50.2 | 0 | 0 | 111.5 | F1096 L1100 W1221 T1222 I1229 L1301 | F1096-Q1225 HydrophobicContact CE1-CB 4.49Å; L1100-Q1225 HydrophobicContact CD2-CB 4.11Å; L1100-Q1225 HydrophobicContact CD2-CG 4.5Å; W1221-Q1225 HydrophobicContact CD2-CG 4.05Å; W1221-Q1225 HydrophobicContact CH2-CG 4.2Å; W1221-Q1225 HydrophobicContact CZ2-CG 3.66Å; W1221-Q1225 WeakPolarHBondContact O-CG 3.39Å; W1221-Q1225 PolarHBondContact O-N 3.38Å; T1222-Q1225 PolarHBondContact O-N 3.18Å; Q1225-I1229 WeakPolarHBondContact O-CG1 3.46Å; Q1225-I1229 PolarHBondContact O-N 2.86Å; Q1225-L1301 HydrophobicContact CB-CD1 4.09Å; Q1225-L1301 HydrophobicContact CB-CD2 4.42Å |
| 1226 | L | 92.2 | Very high | 85.5 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.8 | -44.7 | 176 | -175 | 58.1 | 0 | 0 | 0 | 111.6 | T1222 M1223 Q1224 R1228 I1229 L1230 M1298 L1301 L1305 L1355 M1359 | T1222-L1226 WeakPolarHBondContact O-CB 3.48Å; T1222-L1226 PolarHBondContact O-N 3Å; T1222-L1226 VanDerWaalsContact O-N 3.09Å; M1223-L1226 PolarHBondContact O-N 3.07Å; Q1224-L1226 VanDerWaalsContact C-N 3.29Å; Q1224-L1226 PolarHBondContact O-N 3.23Å; L1226-R1228 VanDerWaalsContact C-N 3.33Å; L1226-R1228 PolarHBondContact O-N 2.64Å; L1226-I1229 PolarHBondContact O-N 3.29Å; L1226-L1230 HydrophobicContact CD1-CD1 4.22Å; L1226-L1230 HydrophobicContact CD1-CG 4.42Å; L1226-L1230 HydrophobicContact CG-CD1 3.87Å; L1226-L1230 WeakPolarHBondContact O-CG 3.37Å; L1226-L1230 PolarHBondContact O-N 3.44Å; L1226-M1298 HydrophobicContact CD1-CB 4.3Å; L1226-M1298 HydrophobicContact CD1-CG 4.36Å; L1226-L1301 HydrophobicContact CB-CB 4.31Å; L1226-L1301 HydrophobicContact CB-CD1 4.41Å; L1226-L1301 HydrophobicContact CD1-CB 4.11Å; L1226-L1305 HydrophobicContact CD2-CD2 3.98Å; L1226-L1355 HydrophobicContact CB-CD1 4.23Å; L1226-L1355 HydrophobicContact CD2-CD1 4.05Å; L1226-L1355 HydrophobicContact CD2-CD2 4.41Å; L1226-L1355 HydrophobicContact CG-CD1 3.92Å; L1226-M1359 HydrophobicContact CD2-CG 4.37Å; L1226-M1359 HydrophobicContact CD2-SD 3.72Å |
| 1227 | S | 89.7 | Confident | 85.4 | Confident | 22 Ų | 22 | 32.1 Ų | 32.1 | 15% | 0.154 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.4 | -43.4 | 176.6 | -177.2 | 0 | 0 | 0 | 0 | 111.8 | M1223 Q1224 I1229 L1230 L1231 | M1223-S1227 VanDerWaalsContact O-CB 3.27Å; M1223-S1227 WeakPolarHBondContact O-CB 3.47Å; M1223-S1227 PolarHBondContact O-N 3.37Å; Q1224-S1227 PolarHBondContact O-N 2.97Å; S1227-I1229 VanDerWaalsContact C-N 3.32Å; S1227-I1229 PolarHBondContact O-N 3.37Å; S1227-L1230 PolarHBondContact O-N 2.87Å; S1227-L1231 VanDerWaalsContact O-CB 3.29Å; S1227-L1231 WeakPolarHBondContact O-CB 3.27Å; S1227-L1231 VanDerWaalsContact O-CG 3.27Å; S1227-L1231 WeakPolarHBondContact O-CG 3.31Å; S1227-L1231 PolarHBondContact O-N 3.11Å |
| 1228 | R | 88.2 | Confident | 85.2 | Confident | 86 Ų | 86 | 32.3 Ų | 32.3 | 33% | 0.325 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -57.8 | -42.7 | 176.1 | -70.3 | 170.6 | 77.2 | -157.4 | 3.7 | 112.4 | D1101 Q1224 L1226 F1232 | D1101-R1228 IonicContact OD1-CZ 2.7Å; D1101-R1228 VanDerWaalsContact OD1-CZ 3.23Å; D1101-R1228 IonicContact OD1-NH1 3.53Å; D1101-R1228 PolarHBondContact OD1-NH1 3.2Å; D1101-R1228 IonicContact OD1-NH2 2.6Å; D1101-R1228 PolarHBondContact OD1-NH2 3.42Å; Q1224-R1228 WeakPolarHBondContact O-CG 3.24Å; Q1224-R1228 PolarHBondContact O-N 3.34Å; L1226-R1228 VanDerWaalsContact C-N 3.33Å; L1226-R1228 PolarHBondContact O-N 2.64Å; R1228-F1232 VanDerWaalsContact O-CB 3.27Å; R1228-F1232 WeakPolarHBondContact O-CB 3.4Å; R1228-F1232 PolarHBondContact O-N 3.41Å |
| 1229 | I | 89.6 | Confident | 84.4 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67.8 | -47.2 | 178 | -65 | 166 | 0 | 0 | 0 | 110.6 | L1100 L1104 Q1225 L1226 S1227 F1232 I1233 L1294 I1297 M1298 L1301 | L1100-I1229 HydrophobicContact CD1-CD1 3.86Å; L1100-I1229 HydrophobicContact CD1-CG1 4.02Å; L1100-I1229 HydrophobicContact CD2-CD1 4.18Å; L1100-I1229 HydrophobicContact CD2-CG1 4.22Å; L1104-I1229 HydrophobicContact CD2-CG1 4.38Å; Q1225-I1229 WeakPolarHBondContact O-CG1 3.46Å; Q1225-I1229 PolarHBondContact O-N 2.86Å; L1226-I1229 PolarHBondContact O-N 3.29Å; S1227-I1229 VanDerWaalsContact C-N 3.32Å; S1227-I1229 PolarHBondContact O-N 3.37Å; I1229-F1232 WeakPolarHBondContact O-CB 3.47Å; I1229-F1232 PolarHBondContact O-N 3.49Å; I1229-I1233 HydrophobicContact CG2-CD1 3.76Å; I1229-I1233 WeakPolarHBondContact O-CG1 3.09Å; I1229-I1233 PolarHBondContact O-N 3.45Å; I1229-L1294 HydrophobicContact CG2-CB 4.13Å; I1229-L1294 HydrophobicContact CG2-CD1 4.11Å; I1229-I1297 HydrophobicContact CD1-CG2 3.78Å; I1229-M1298 HydrophobicContact CB-CG 4.44Å; I1229-M1298 HydrophobicContact CG2-CG 3.48Å; I1229-M1298 VanDerWaalsContact CG2-CG 3.48Å; I1229-M1298 HydrophobicContact CG2-SD 3.82Å; I1229-L1301 HydrophobicContact CD1-CD1 3.57Å |
| 1230 | L | 89.8 | Confident | 83 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.4 | -44.3 | -179.6 | -74 | 167.5 | 0 | 0 | 0 | 111.9 | L1226 S1227 F1232 I1233 H1234 M1298 L1355 L1358 M1359 Y1362 | L1226-L1230 HydrophobicContact CD1-CD1 4.22Å; L1226-L1230 HydrophobicContact CD1-CG 4.42Å; L1226-L1230 HydrophobicContact CG-CD1 3.87Å; L1226-L1230 WeakPolarHBondContact O-CG 3.37Å; L1226-L1230 PolarHBondContact O-N 3.44Å; S1227-L1230 PolarHBondContact O-N 2.87Å; L1230-F1232 VanDerWaalsContact C-N 3.34Å; L1230-F1232 PolarHBondContact O-N 2.93Å; L1230-I1233 PolarHBondContact O-N 3.29Å; L1230-H1234 VanDerWaalsContact O-CB 3.22Å; L1230-H1234 WeakPolarHBondContact O-CB 3.25Å; L1230-H1234 PolarHBondContact O-N 2.95Å; L1230-M1298 HydrophobicContact CD2-CE 3.44Å; L1230-M1298 VanDerWaalsContact CD2-CE 3.44Å; L1230-M1298 HydrophobicContact CG-CE 4.34Å; L1230-L1355 HydrophobicContact CD1-CD1 3.53Å; L1230-L1358 HydrophobicContact CB-CB 4.15Å; L1230-L1358 HydrophobicContact CB-CD1 4.13Å; L1230-L1358 HydrophobicContact CD1-CB 3.96Å; L1230-L1358 HydrophobicContact CD2-CB 4.47Å; L1230-L1358 HydrophobicContact CG-CB 4.44Å; L1230-M1359 HydrophobicContact CD1-CG 3.87Å; L1230-Y1362 HydrophobicContact CD2-CD2 4.18Å; L1230-Y1362 HydrophobicContact CD2-CG 4.38Å |
| 1231 | L | 88 | Confident | 81.3 | Confident | 63 Ų | 63 | 43.3 Ų | 43.3 | 33% | 0.33 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.2 | -40.3 | 175 | -72.5 | 172.8 | 0 | 0 | 0 | 111.5 | S1227 H1234 Q1235 L1358 | S1227-L1231 VanDerWaalsContact O-CB 3.29Å; S1227-L1231 WeakPolarHBondContact O-CB 3.27Å; S1227-L1231 VanDerWaalsContact O-CG 3.27Å; S1227-L1231 WeakPolarHBondContact O-CG 3.31Å; S1227-L1231 PolarHBondContact O-N 3.11Å; L1231-H1234 PolarHBondContact O-N 2.96Å; L1231-Q1235 VanDerWaalsContact O-CB 3.29Å; L1231-Q1235 WeakPolarHBondContact O-CB 3.2Å; L1231-Q1235 WeakPolarHBondContact O-CG 3.45Å; L1231-Q1235 PolarHBondContact O-N 3.38Å; L1231-L1358 HydrophobicContact CD2-CD1 4.04Å; L1231-L1358 HydrophobicContact CG-CD1 4.35Å |
| 1232 | F | 85.5 | Confident | 78.9 | Confident | 41 Ų | 41 | 46.9 Ų | 46.9 | 18% | 0.18 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.4 | -44.6 | 174.4 | 175.1 | -96.6 | 0 | 0 | 0 | 112 | L1104 R1228 I1229 L1230 R1236 L1294 | L1104-F1232 HydrophobicContact CD2-CB 4.3Å; L1104-F1232 HydrophobicContact CD2-CD1 3.93Å; L1104-F1232 HydrophobicContact CD2-CD2 4.45Å; L1104-F1232 HydrophobicContact CD2-CE1 4.25Å; L1104-F1232 HydrophobicContact CD2-CG 4Å; L1104-F1232 VanDerWaalsContact O-CE2 3.31Å; L1104-F1232 WeakPolarHBondContact O-CE2 3.3Å; L1104-F1232 WeakPolarHBondContact O-CZ 3.27Å; R1228-F1232 VanDerWaalsContact O-CB 3.27Å; R1228-F1232 WeakPolarHBondContact O-CB 3.4Å; R1228-F1232 PolarHBondContact O-N 3.41Å; I1229-F1232 WeakPolarHBondContact O-CB 3.47Å; I1229-F1232 PolarHBondContact O-N 3.49Å; L1230-F1232 VanDerWaalsContact C-N 3.34Å; L1230-F1232 PolarHBondContact O-N 2.93Å; F1232-R1236 WeakPolarHBondContact O-CG 3.45Å; F1232-R1236 PolarHBondContact O-N 3.25Å; F1232-R1236 VanDerWaalsContact O-N 3.08Å; F1232-L1294 HydrophobicContact CD1-CD1 3.83Å; F1232-L1294 HydrophobicContact CE1-CD1 3.9Å |
| 1233 | I | 85.2 | Confident | 76.3 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.1 | -44.8 | 176.2 | -67.5 | 162.7 | 0 | 0 | 0 | 110.4 | I1229 L1230 R1236 N1237 Y1291 L1294 M1298 Y1362 | I1229-I1233 HydrophobicContact CG2-CD1 3.76Å; I1229-I1233 WeakPolarHBondContact O-CG1 3.09Å; I1229-I1233 PolarHBondContact O-N 3.45Å; L1230-I1233 PolarHBondContact O-N 3.29Å; I1233-R1236 PolarHBondContact O-N 3.26Å; I1233-N1237 WeakPolarHBondContact O-CB 3.42Å; I1233-N1237 PolarHBondContact O-N 3.49Å; I1233-Y1291 HydrophobicContact CD1-CD2 4.24Å; I1233-Y1291 HydrophobicContact CG2-CD2 4.25Å; I1233-L1294 HydrophobicContact CD1-CB 4.31Å; I1233-L1294 HydrophobicContact CD1-CD1 4.3Å; I1233-L1294 HydrophobicContact CG1-CD1 4.17Å; I1233-M1298 HydrophobicContact CD1-CE 4.33Å; I1233-M1298 HydrophobicContact CD1-SD 3.31Å; I1233-M1298 WeakPolarHBondContact CD1-SD 3.27Å; I1233-Y1362 HydrophobicContact CG2-CD1 4.06Å; I1233-Y1362 HydrophobicContact CG2-CD2 4.47Å; I1233-Y1362 HydrophobicContact CG2-CE1 4.09Å; I1233-Y1362 HydrophobicContact CG2-CE2 4.48Å; I1233-Y1362 HydrophobicContact CG2-CG 4.25Å |
| 1234 | H | 85.2 | Confident | 73.6 | Confident | 66 Ų | 66 | 58.1 Ų | 58.1 | 31% | 0.306 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.4 | -45.4 | 179.3 | -171 | 92.6 | 0 | 0 | 0 | 111.6 | L1230 L1231 R1236 N1237 S1238 L1358 Y1362 | L1230-H1234 VanDerWaalsContact O-CB 3.22Å; L1230-H1234 WeakPolarHBondContact O-CB 3.25Å; L1230-H1234 PolarHBondContact O-N 2.95Å; L1231-H1234 PolarHBondContact O-N 2.96Å; H1234-R1236 PolarHBondContact O-N 3.29Å; H1234-N1237 PolarHBondContact O-N 2.89Å; H1234-S1238 WeakPolarHBondContact O-CB 3.41Å; H1234-S1238 PolarHBondContact O-N 3.41Å; H1234-S1238 PolarHBondContact O-OG 2.85Å; H1234-L1358 HydrophobicContact CB-CD2 4.37Å; H1234-Y1362 HydrophobicContact CB-CE2 3.93Å; H1234-Y1362 AromaticContact ND1-CE2 3.72Å |
| 1235 | Q | 81.7 | Confident | 71 | Confident | 124 Ų | 124 | 59.7 Ų | 59.7 | 58% | 0.579 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -63.1 | -38.5 | 176.5 | -75.9 | 174.1 | 1.4 | 0 | 0 | 112.7 | L1231 S1238 A1239 | L1231-Q1235 VanDerWaalsContact O-CB 3.29Å; L1231-Q1235 WeakPolarHBondContact O-CB 3.2Å; L1231-Q1235 WeakPolarHBondContact O-CG 3.45Å; L1231-Q1235 PolarHBondContact O-N 3.38Å; Q1235-S1238 WeakPolarHBondContact CA-OG 3.41Å; Q1235-S1238 PolarHBondContact O-OG 3.27Å; Q1235-A1239 WeakPolarHBondContact O-CB 3.44Å; Q1235-A1239 PolarHBondContact O-N 3.02Å |
| 1236 | R | 77.5 | Confident | 68.2 | Low | 103 Ų | 103 | 64.4 Ų | 64.4 | 39% | 0.389 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -70.2 | -41.4 | 176 | -69.3 | -173.4 | 105.1 | 98 | 5.7 | 111.7 | F1232 I1233 H1234 S1238 A1239 L1240 H1288 | F1232-R1236 WeakPolarHBondContact O-CG 3.45Å; F1232-R1236 PolarHBondContact O-N 3.25Å; F1232-R1236 VanDerWaalsContact O-N 3.08Å; I1233-R1236 PolarHBondContact O-N 3.26Å; H1234-R1236 PolarHBondContact O-N 3.29Å; R1236-S1238 VanDerWaalsContact C-N 3.33Å; R1236-A1239 PolarHBondContact O-N 2.96Å; R1236-L1240 WeakPolarHBondContact O-CD1 3.24Å; R1236-L1240 PolarHBondContact O-N 3.15Å; R1236-H1288 PolarHBondContact NE-CE1 3.3Å |
| 1237 | N | 71.2 | Confident | 65.2 | Low | 15 Ų | 15 | 76.8 Ų | 76.8 | 8% | 0.08 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -64.8 | -36.6 | 175 | -76.3 | -19.9 | 0 | 0 | 0 | 112 | I1233 H1234 H1288 Y1362 | I1233-N1237 WeakPolarHBondContact O-CB 3.42Å; I1233-N1237 PolarHBondContact O-N 3.49Å; H1234-N1237 PolarHBondContact O-N 2.89Å; N1237-H1288 WeakPolarHBondContact OD1-CB 3.37Å; N1237-H1288 PolarHBondContact OD1-N 2.95Å; N1237-Y1362 WeakPolarHBondContact ND2-CE1 3.49Å; N1237-Y1362 PolarHBondContact ND2-OH 2.97Å; N1237-Y1362 VanDerWaalsContact ND2-OH 3.08Å |
| 1238 | S | 71.4 | Confident | 62.2 | Low | 52 Ų | 52 | 80.6 Ų | 80.6 | 36% | 0.364 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -72.6 | -36.6 | 175.7 | 64.9 | 0 | 0 | 0 | 0 | 112.3 | H1234 Q1235 R1236 L1240 C1241 C1242 | H1234-S1238 WeakPolarHBondContact O-CB 3.41Å; H1234-S1238 PolarHBondContact O-N 3.41Å; H1234-S1238 PolarHBondContact O-OG 2.85Å; Q1235-S1238 WeakPolarHBondContact CA-OG 3.41Å; Q1235-S1238 PolarHBondContact O-OG 3.27Å; R1236-S1238 VanDerWaalsContact C-N 3.33Å; S1238-L1240 VanDerWaalsContact C-N 3.27Å; S1238-L1240 PolarHBondContact O-N 3.37Å; S1238-C1241 WeakPolarHBondContact O-CA 3.34Å; S1238-C1241 WeakPolarHBondContact O-CB 3.36Å; S1238-C1241 PolarHBondContact O-N 3.34Å; S1238-C1242 PolarHBondContact O-N 3.48Å |
| 1239 | A | 69 | Low | 59.2 | Low | 62 Ų | 62 | 83.6 Ų | 83.6 | 51% | 0.512 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.7 | -33.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q1235 R1236 C1241 C1242 | Q1235-A1239 WeakPolarHBondContact O-CB 3.44Å; Q1235-A1239 PolarHBondContact O-N 3.02Å; R1236-A1239 PolarHBondContact O-N 2.96Å; A1239-C1241 PolarHBondContact O-N 3.41Å; A1239-C1242 CarbonylContact O-C 3.56Å; A1239-C1242 PolarHBondContact O-N 3.47Å |
| 1240 | L | 54.3 | Low | 56.3 | Low | 100 Ų | 100 | 89.4 Ų | 89.4 | 52% | 0.524 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -25.7 | 171.5 | -87.7 | 134.4 | 0 | 0 | 0 | 113.3 | R1236 S1238 H1288 | R1236-L1240 WeakPolarHBondContact O-CD1 3.24Å; R1236-L1240 PolarHBondContact O-N 3.15Å; S1238-L1240 VanDerWaalsContact C-N 3.27Å; S1238-L1240 PolarHBondContact O-N 3.37Å; L1240-H1288 HydrophobicContact CD1-CB 3.58Å; L1240-H1288 VanDerWaalsContact CD1-CD2 3.46Å; L1240-H1288 WeakPolarHBondContact CD1-CD2 3.33Å |
| 1241 | C | 46.4 | Very low | 53.2 | Low | 107 Ų | 107 | 97.3 Ų | 97.3 | 72% | 0.723 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -21.4 | 177.4 | -64.7 | 0 | 0 | 0 | 0 | 112.6 | S1238 A1239 | S1238-C1241 WeakPolarHBondContact O-CA 3.34Å; S1238-C1241 WeakPolarHBondContact O-CB 3.36Å; S1238-C1241 PolarHBondContact O-N 3.34Å; A1239-C1241 PolarHBondContact O-N 3.41Å |
| 1242 | C | 37.4 | Very low | 50.2 | Low | 97 Ų | 97 | 99.1 Ų | 99.1 | 66% | 0.655 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -106.7 | 78.9 | -178.2 | -62.5 | 0 | 0 | 0 | 0 | 110.2 | S1238 A1239 | S1238-C1242 PolarHBondContact O-N 3.48Å; A1239-C1242 CarbonylContact O-C 3.56Å; A1239-C1242 PolarHBondContact O-N 3.47Å |
| 1243 | G | 35.3 | Very low | 47.4 | Very low | 67 Ų | 67 | 103.4 Ų | 103.4 | 69% | 0.691 | 61% | 0.609 | S | S | * | * | trans | -63.2 | 133.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | A1245 | G1243-A1245 PolarHBondContact O-N 3.12Š| ||
| 1244 | D | 31.1 | Very low | 44.5 | Very low | 169 Ų | 169 | 110.3 Ų | 110.3 | 90% | 0.904 | 65% | 0.651 | S | S | * | * | trans | -47.9 | 111.2 | -169 | -69.6 | -49.2 | 0 | 0 | 0 | 115.6 | ||||
| 1245 | A | 32.4 | Very low | 41.6 | Very low | 71 Ų | 71 | 111.1 Ų | 111.1 | 59% | 0.587 | 68% | 0.678 | S | S | * | * | trans | -135.1 | 66.7 | 163.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | G1243 P2365 | G1243-A1245 PolarHBondContact O-N 3.12Å; A1245-P2365 HydrophobicContact CB-CG 3.97Å | ||
| 1246 | S | 31.6 | Very low | 38.9 | Very low | 107 Ų | 107 | 109 Ų | 109 | 75% | 0.748 | 69% | 0.689 | S | S | * | * | trans | -160 | 84.1 | 164.4 | 65.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1247 | R | 28 | Very low | 36.3 | Very low | 261 Ų | 261 | 110.1 Ų | 110.1 | 99% | 0.985 | 71% | 0.712 | S | S | * | * | trans | -127.8 | 86.2 | 152.9 | -101.8 | -173.9 | 163.1 | -172.3 | -4.3 | 107.8 | ||||
| 1248 | S | 26.7 | Very low | 34.1 | Very low | 102 Ų | 102 | 114.6 Ų | 114.6 | 71% | 0.713 | 75% | 0.745 | S | S | * | * | trans | -137.9 | 112.9 | 159.3 | 56.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1249 | D | 25.9 | Very low | 31.9 | Very low | 149 Ų | 149 | 119 Ų | 119 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | trans | 67 | 96.8 | 140.8 | -54.6 | -18.8 | 0 | 0 | 0 | 120.8 | ||||
| 1250 | S | 28.6 | Very low | 29.9 | Very low | 121 Ų | 121 | 123.7 Ų | 123.7 | 85% | 0.846 | 78% | 0.781 | S | S | * | * | trans | -113.2 | 89.6 | 136.4 | 64.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1251 | L | 25 | Very low | 28.4 | Very low | 166 Ų | 166 | 122 Ų | 122 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | trans | -77.2 | 115 | 160.7 | -132 | 88.6 | 0 | 0 | 0 | 107.4 | ||||
| 1252 | S | 24.1 | Very low | 27.4 | Very low | 102 Ų | 102 | 126.6 Ų | 126.6 | 71% | 0.713 | 80% | 0.798 | S | S | * | * | trans | -145 | 100.3 | 150.8 | 63.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1253 | T | 27.6 | Very low | 26.7 | Very low | 131 Ų | 131 | 125.4 Ų | 125.4 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | 18.8 | 108.4 | 145.3 | 37 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1254 | T | 24 | Very low | 26 | Very low | 145 Ų | 145 | 128.6 Ų | 128.6 | 89% | 0.89 | 81% | 0.812 | S | S | * | * | trans | -35.9 | 133 | 151.5 | 43.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1255 | G | 23.7 | Very low | 25.6 | Very low | 83 Ų | 83 | 126.6 Ų | 126.6 | 86% | 0.856 | 81% | 0.812 | S | S | * | * | trans | 122.1 | 113.2 | 146.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1256 | G | 25.1 | Very low | 25.2 | Very low | 79 Ų | 79 | 126.9 Ų | 126.9 | 81% | 0.814 | 82% | 0.821 | S | S | * | * | trans | 135.7 | 83 | 157.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1257 | S | 22.8 | Very low | 24.7 | Very low | 126 Ų | 126 | 128.7 Ų | 128.7 | 88% | 0.881 | 83% | 0.827 | S | S | * | * | trans | -58.6 | 123.4 | 159.6 | 167.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1258 | S | 25.9 | Very low | 24.5 | Very low | 109 Ų | 109 | 121.5 Ų | 121.5 | 76% | 0.762 | 82% | 0.817 | S | S | * | * | trans | -171.7 | 125.5 | 146.5 | 49 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1259 | N | 24 | Very low | 24.3 | Very low | 146 Ų | 146 | 119.4 Ų | 119.4 | 78% | 0.781 | 81% | 0.812 | S | S | * | * | trans | -44.6 | 139.4 | 157.4 | -73.7 | -19.7 | 0 | 0 | 0 | 111.6 | ||||
| 1260 | D | 27.2 | Very low | 24.3 | Very low | 160 Ų | 160 | 120.1 Ų | 120.1 | 86% | 0.856 | 82% | 0.815 | S | S | * | * | 172.6 | 141.3 | 112 | -86.9 | -27.4 | 0 | 0 | 0 | 110.3 | |||||
| 1261 | G | 23.3 | Very low | 24.1 | Very low | 64 Ų | 64 | 121.3 Ų | 121.3 | 66% | 0.66 | 81% | 0.812 | S | S | * | * | trans | -74.1 | 157.9 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1262 | H | 25.7 | Very low | 24 | Very low | 203 Ų | 203 | 123.3 Ų | 123.3 | 94% | 0.94 | 81% | 0.814 | S | S | * | * | -177 | 143 | 117.6 | -95.6 | -42.8 | 0 | 0 | 0 | 109.1 | |||||
| 1263 | G | 22.4 | Very low | 24.1 | Very low | 72 Ų | 72 | 123.5 Ų | 123.5 | 74% | 0.742 | 81% | 0.811 | S | S | * | * | trans | -70.6 | 167.2 | -167.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1264 | C | 21.4 | Very low | 24 | Very low | 135 Ų | 135 | 124.3 Ų | 124.3 | 91% | 0.912 | 81% | 0.81 | S | S | * | * | trans | -153.9 | 117 | 143.5 | -116.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 1265 | S | 21.3 | Very low | 24 | Very low | 127 Ų | 127 | 122.6 Ų | 122.6 | 89% | 0.888 | 80% | 0.804 | S | S | * | * | trans | -59.1 | 127.9 | 168.8 | -53.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1266 | G | 24 | Very low | 24 | Very low | 76 Ų | 76 | 123.8 Ų | 123.8 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | trans | -141.6 | 91 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1267 | V | 22.6 | Very low | 24.1 | Very low | 145 Ų | 145 | 124.7 Ų | 124.7 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | trans | -61.1 | 133.4 | 172.1 | 171.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1268 | S | 22.8 | Very low | 24.2 | Very low | 110 Ų | 110 | 123 Ų | 123 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | 170 | 118.4 | 125.7 | -169.9 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 1269 | G | 23.4 | Very low | 24.3 | Very low | 59 Ų | 59 | 125.7 Ų | 125.7 | 61% | 0.608 | 78% | 0.779 | S | S | * | * | trans | -64.7 | 157.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1270 | N | 24.5 | Very low | 24.4 | Very low | 163 Ų | 163 | 123.7 Ų | 123.7 | 87% | 0.872 | 77% | 0.772 | S | S | * | * | trans | -139.5 | 121.9 | 154.5 | -96.6 | -19.1 | 0 | 0 | 0 | 108.3 | K1272 | N1270-K1272 PolarHBondContact O-N 3.16Š| ||
| 1271 | N | 25.2 | Very low | 24.4 | Very low | 146 Ų | 146 | 118.7 Ų | 118.7 | 78% | 0.781 | 75% | 0.749 | S | S | * | * | trans | -53.8 | 118 | -176.5 | -64.1 | -29.5 | 0 | 0 | 0 | 111.2 | T1273 | N1271-T1273 HydrophobicContact CB-CG2 4.32Å; N1271-T1273 PolarHBondContact O-N 2.88Å; N1271-T1273 VanDerWaalsContact O-N 3.16Å | ||
| 1272 | K | 24.1 | Very low | 24.8 | Very low | 208 Ų | 208 | 119 Ų | 119 | 90% | 0.904 | 74% | 0.739 | S | S | * | * | trans | -80.7 | 76.6 | 154.4 | -77.8 | -178.8 | 177.4 | 177.4 | 0 | 107.1 | N1270 L1274 | N1270-K1272 PolarHBondContact O-N 3.16Å; K1272-L1274 PolarHBondContact O-N 2.8Å | ||
| 1273 | T | 24.6 | Very low | 24.8 | Very low | 107 Ų | 107 | 119.4 Ų | 119.4 | 66% | 0.656 | 73% | 0.733 | S | S | * | * | trans | -58.4 | 127.7 | 157.8 | 43 | 0 | 0 | 0 | 0 | 106.5 | N1271 S1275 | N1271-T1273 HydrophobicContact CB-CG2 4.32Å; N1271-T1273 PolarHBondContact O-N 2.88Å; N1271-T1273 VanDerWaalsContact O-N 3.16Å; T1273-S1275 PolarHBondContact O-N 2.88Å | ||
| 1274 | L | 26.1 | Very low | 25.2 | Very low | 148 Ų | 148 | 123 Ų | 123 | 78% | 0.775 | 73% | 0.728 | S | S | * | * | trans | -53.2 | 113.2 | 174.1 | -82.7 | 97.9 | 0 | 0 | 0 | 106.6 | K1272 S1276 | K1272-L1274 PolarHBondContact O-N 2.8Å; L1274-S1276 PolarHBondContact O-N 2.85Å | ||
| 1275 | S | 23.1 | Very low | 26.2 | Very low | 108 Ų | 108 | 123.1 Ų | 123.1 | 76% | 0.755 | 71% | 0.709 | S | S | * | * | trans | -50.6 | 127.8 | -179.9 | -46.7 | 0 | 0 | 0 | 0 | 108.1 | T1273 S1277 | T1273-S1275 PolarHBondContact O-N 2.88Å; S1275-S1277 PolarHBondContact O-N 3.18Å; S1275-S1277 VanDerWaalsContact O-N 3.16Å | ||
| 1276 | S | 24.6 | Very low | 27.3 | Very low | 108 Ų | 108 | 124.1 Ų | 124.1 | 76% | 0.755 | 70% | 0.704 | S | S | * | * | trans | -30 | 120.5 | 171.4 | 45.2 | 0 | 0 | 0 | 0 | 109.6 | L1274 S1278 | L1274-S1276 PolarHBondContact O-N 2.85Å; S1276-S1278 VanDerWaalsContact C-N 3.29Å; S1276-S1278 PolarHBondContact O-N 3.38Å | ||
| 1277 | S | 26.9 | Very low | 29.2 | Very low | 99 Ų | 99 | 124.2 Ų | 124.2 | 69% | 0.692 | 69% | 0.685 | S | S | * | * | trans | -54.1 | 99.2 | 177.4 | -171.1 | 0 | 0 | 0 | 0 | 107.3 | S1275 K1279 | S1275-S1277 PolarHBondContact O-N 3.18Å; S1275-S1277 VanDerWaalsContact O-N 3.16Å; S1277-K1279 PolarHBondContact O-N 3.06Å; S1277-K1279 VanDerWaalsContact O-N 3.1Å | ||
| 1278 | S | 25.3 | Very low | 31.6 | Very low | 90 Ų | 90 | 119.6 Ų | 119.6 | 63% | 0.629 | 65% | 0.654 | S | S | * | * | trans | -55.7 | 123.7 | 168.2 | 56 | 0 | 0 | 0 | 0 | 104.9 | S1276 V1280 | S1276-S1278 VanDerWaalsContact C-N 3.29Å; S1276-S1278 PolarHBondContact O-N 3.38Å; S1278-V1280 WeakPolarHBondContact O-CG2 3.31Å; S1278-V1280 PolarHBondContact O-N 2.82Å | ||
| 1279 | K | 27.7 | Very low | 33.8 | Very low | 166 Ų | 166 | 119 Ų | 119 | 72% | 0.722 | 65% | 0.648 | S | S | * | * | trans | -63.4 | 78 | -169 | -65.7 | 173.3 | 178.4 | 176.9 | 0 | 109.8 | S1277 S1281 | S1277-K1279 PolarHBondContact O-N 3.06Å; S1277-K1279 VanDerWaalsContact O-N 3.1Å; K1279-S1281 PolarHBondContact O-N 3.23Å | ||
| 1280 | V | 26.1 | Very low | 36.3 | Very low | 104 Ų | 104 | 116.8 Ų | 116.8 | 63% | 0.63 | 62% | 0.623 | S | S | * | * | trans | -82.9 | 114.7 | -178.3 | 172.2 | 0 | 0 | 0 | 0 | 108.3 | S1278 | S1278-V1280 WeakPolarHBondContact O-CG2 3.31Å; S1278-V1280 PolarHBondContact O-N 2.82Å | ||
| 1281 | S | 27 | Very low | 39 | Very low | 54 Ų | 54 | 109.7 Ų | 109.7 | 38% | 0.378 | 58% | 0.584 | S | S | . | * | trans | -49.8 | 137.1 | 172.5 | -151.3 | 0 | 0 | 0 | 0 | 110.9 | K1279 R1283 | K1279-S1281 PolarHBondContact O-N 3.23Å; S1281-R1283 PolarHBondContact O-N 2.97Å | ||
| 1282 | P | 31.3 | Very low | 41.4 | Very low | 70 Ų | 70 | 105.9 Ų | 105.9 | 46% | 0.455 | 56% | 0.562 | S | S | . | * | trans | -73.3 | 85.7 | -164.2 | 29.8 | -34.1 | 0 | 0 | 0 | 111.4 | ||||
| 1283 | R | 26.5 | Very low | 43.9 | Very low | 212 Ų | 212 | 99 Ų | 99 | 80% | 0.8 | 53% | 0.53 | S | S | * | . | trans | -64.6 | 136.8 | 166.5 | -72.4 | 179.3 | 175 | 176 | -1.6 | 109 | S1281 R1285 | S1281-R1283 PolarHBondContact O-N 2.97Å; R1283-R1285 VanDerWaalsContact O-CG 3.32Å; R1283-R1285 WeakPolarHBondContact O-CG 3.18Å; R1283-R1285 PolarHBondContact O-N 3.03Å | ||
| 1284 | K | 31 | Very low | 46.8 | Very low | 149 Ų | 149 | 94.1 Ų | 94.1 | 65% | 0.648 | 50% | 0.5 | S | S | * | . | trans | -49.2 | 97.1 | 174.8 | -148.5 | 172.1 | -178.5 | 170.1 | 0 | 110 | L1286 D1375 | K1284-L1286 PolarHBondContact O-N 2.78Å; K1284-D1375 WeakPolarHBondContact CD-OD1 3.1Å; K1284-D1375 VanDerWaalsContact CE-CG 3.49Å; K1284-D1375 WeakPolarHBondContact CE-OD1 3.43Å; K1284-D1375 WeakPolarHBondContact CE-OD2 3.47Å; K1284-D1375 IonicContact NZ-OD1 3.94Å; K1284-D1375 PolarHBondContact NZ-OD1 3.05Å; K1284-D1375 IonicContact NZ-OD2 3.96Å; K1284-D1375 PolarHBondContact NZ-OD2 3.43Å | ||
| 1285 | R | 42.6 | Very low | 49.6 | Very low | 137 Ų | 137 | 87.9 Ų | 87.9 | 52% | 0.517 | 47% | 0.467 | S | S | . | . | trans | -73.9 | 109.3 | -174.8 | -62.2 | -174.9 | -169.8 | 172.7 | 5.6 | 108 | R1283 I1287 | R1283-R1285 VanDerWaalsContact O-CG 3.32Å; R1283-R1285 WeakPolarHBondContact O-CG 3.18Å; R1283-R1285 PolarHBondContact O-N 3.03Å; R1285-I1287 PolarHBondContact O-N 2.83Å; R1285-I1287 VanDerWaalsContact O-N 3.13Å | ||
| 1286 | L | 44.4 | Very low | 52.4 | Low | 147 Ų | 147 | 86.1 Ų | 86.1 | 77% | 0.77 | 45% | 0.453 | S | S | * | . | trans | -61.6 | 113.6 | 165.2 | -87.6 | 150.3 | 0 | 0 | 0 | 107.3 | K1284 | K1284-L1286 PolarHBondContact O-N 2.78Š| ||
| 1287 | I | 63.1 | Low | 55.5 | Low | 78 Ų | 78 | 81.1 Ų | 81.1 | 40% | 0.4 | 42% | 0.417 | S | S | . | . | trans | -77.6 | 123.1 | -179.6 | -57.4 | 174.8 | 0 | 0 | 0 | 107.9 | R1285 Y1291 | R1285-I1287 PolarHBondContact O-N 2.83Å; R1285-I1287 VanDerWaalsContact O-N 3.13Å; I1287-Y1291 VanDerWaalsContact CG2-CB 3.41Å; I1287-Y1291 HydrophobicContact CG2-CD1 3.49Å; I1287-Y1291 VanDerWaalsContact CG2-CD1 3.49Å; I1287-Y1291 HydrophobicContact CG2-CE1 4.43Å; I1287-Y1291 HydrophobicContact CG2-CG 3.6Å | ||
| 1288 | H | 72.9 | Confident | 58.5 | Low | 48 Ų | 48 | 76.4 Ų | 76.4 | 22% | 0.222 | 38% | 0.384 | C | S | . | . | trans | -61.5 | 141.2 | 178.8 | -176.2 | -91.5 | 0 | 0 | 0 | 110.6 | R1236 N1237 L1240 S1290 Y1291 | R1236-H1288 PolarHBondContact NE-CE1 3.3Å; N1237-H1288 WeakPolarHBondContact OD1-CB 3.37Å; N1237-H1288 PolarHBondContact OD1-N 2.95Å; L1240-H1288 HydrophobicContact CD1-CB 3.58Å; L1240-H1288 VanDerWaalsContact CD1-CD2 3.46Å; L1240-H1288 WeakPolarHBondContact CD1-CD2 3.33Å; H1288-S1290 WeakPolarHBondContact ND1-CB 3.48Å; H1288-S1290 PolarHBondContact ND1-N 3.43Å; H1288-S1290 VanDerWaalsContact ND1-N 3.12Å; H1288-S1290 PolarHBondContact ND1-OG 3.38Å; H1288-S1290 PolarHBondContact O-N 3.37Å; H1288-Y1291 WeakPolarHBondContact O-CB 3.48Å; H1288-Y1291 PolarHBondContact O-N 3.48Å | ||
| 1289 | P | 69.3 | Low | 61.5 | Low | 97 Ų | 97 | 72.1 Ų | 72.1 | 63% | 0.63 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -22.5 | -178.5 | -27.6 | 34.1 | 0 | 0 | 0 | 115.3 | Y1291 H1292 R1293 | P1289-Y1291 PolarHBondContact O-N 3.05Å; P1289-H1292 PolarHBondContact O-N 3.19Å; P1289-R1293 PolarHBondContact O-N 3.37Å |
| 1290 | S | 75.7 | Confident | 64.5 | Low | 13 Ų | 13 | 64.3 Ų | 64.3 | 9% | 0.091 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.1 | -27.4 | 174.9 | 64.3 | 0 | 0 | 0 | 0 | 113.6 | H1288 R1293 L1294 | H1288-S1290 WeakPolarHBondContact ND1-CB 3.48Å; H1288-S1290 PolarHBondContact ND1-N 3.43Å; H1288-S1290 VanDerWaalsContact ND1-N 3.12Å; H1288-S1290 PolarHBondContact ND1-OG 3.38Å; H1288-S1290 PolarHBondContact O-N 3.37Å; S1290-R1293 PolarHBondContact O-N 3.3Å; S1290-L1294 WeakPolarHBondContact O-CB 3.28Å; S1290-L1294 WeakPolarHBondContact O-CG 3.3Å; S1290-L1294 PolarHBondContact O-N 3.11Å |
| 1291 | Y | 80.8 | Confident | 67.7 | Low | 14 Ų | 14 | 59.4 Ų | 59.4 | 6% | 0.055 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.1 | -53.5 | 176 | 171.2 | -108.5 | 0 | 0 | 0 | 110.4 | I1233 I1287 H1288 P1289 R1293 L1294 Q1295 M1298 Y1362 P1363 | I1233-Y1291 HydrophobicContact CD1-CD2 4.24Å; I1233-Y1291 HydrophobicContact CG2-CD2 4.25Å; I1287-Y1291 VanDerWaalsContact CG2-CB 3.41Å; I1287-Y1291 HydrophobicContact CG2-CD1 3.49Å; I1287-Y1291 VanDerWaalsContact CG2-CD1 3.49Å; I1287-Y1291 HydrophobicContact CG2-CE1 4.43Å; I1287-Y1291 HydrophobicContact CG2-CG 3.6Å; H1288-Y1291 WeakPolarHBondContact O-CB 3.48Å; H1288-Y1291 PolarHBondContact O-N 3.48Å; P1289-Y1291 PolarHBondContact O-N 3.05Å; Y1291-R1293 VanDerWaalsContact C-N 3.29Å; Y1291-R1293 PolarHBondContact O-N 3.46Å; Y1291-L1294 PolarHBondContact O-N 3.28Å; Y1291-L1294 VanDerWaalsContact O-N 3.16Å; Y1291-Q1295 WeakPolarHBondContact O-CB 3.48Å; Y1291-Q1295 PolarHBondContact O-N 3.13Å; Y1291-Q1295 PolarHBondContact OH-NE2 3.05Å; Y1291-Q1295 VanDerWaalsContact OH-NE2 3.07Å; Y1291-M1298 HydrophobicContact CD2-SD 4.48Å; Y1291-M1298 HydrophobicContact CE2-CE 4.18Å; Y1291-M1298 HydrophobicContact CE2-SD 4.49Å; Y1291-Y1362 HydrophobicContact CD2-CD1 4.22Å; Y1291-Y1362 HydrophobicContact CE2-CD1 4.35Å; Y1291-P1363 PolarHBondContact OH-O 3.46Å |
| 1292 | H | 75.6 | Confident | 70.8 | Confident | 67 Ų | 67 | 56.9 Ų | 56.9 | 31% | 0.31 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.7 | -37.6 | 178.6 | -66.1 | -62.4 | 0 | 0 | 0 | 112.4 | P1289 L1294 | P1289-H1292 PolarHBondContact O-N 3.19Å; H1292-L1294 VanDerWaalsContact C-N 3.34Å; H1292-L1294 PolarHBondContact O-N 3.33Å |
| 1293 | R | 77.4 | Confident | 73.7 | Confident | 64 Ų | 64 | 53.5 Ų | 53.5 | 24% | 0.242 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.7 | -35.8 | 176.8 | -177.8 | 179.2 | 171.6 | -163.5 | -6.2 | 113.2 | S1106 I1108 T1112 P1289 S1290 Y1291 | S1106-R1293 PolarHBondContact O-NH1 2.94Å; I1108-R1293 PolarHBondContact O-NH2 3.11Å; T1112-R1293 HydrophobicContact CG2-CG 3.81Å; P1289-R1293 PolarHBondContact O-N 3.37Å; S1290-R1293 PolarHBondContact O-N 3.3Å; Y1291-R1293 VanDerWaalsContact C-N 3.29Å; Y1291-R1293 PolarHBondContact O-N 3.46Å |
| 1294 | L | 85.8 | Confident | 76.9 | Confident | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -97.4 | -8.1 | -175 | -65.1 | 173.2 | 0 | 0 | 0 | 113.4 | V1103 L1104 I1229 F1232 I1233 S1290 Y1291 H1292 P1296 I1297 M1298 | V1103-L1294 HydrophobicContact CG1-CD2 3.78Å; L1104-L1294 HydrophobicContact CD2-CD1 4.11Å; I1229-L1294 HydrophobicContact CG2-CB 4.13Å; I1229-L1294 HydrophobicContact CG2-CD1 4.11Å; F1232-L1294 HydrophobicContact CD1-CD1 3.83Å; F1232-L1294 HydrophobicContact CE1-CD1 3.9Å; I1233-L1294 HydrophobicContact CD1-CB 4.31Å; I1233-L1294 HydrophobicContact CD1-CD1 4.3Å; I1233-L1294 HydrophobicContact CG1-CD1 4.17Å; S1290-L1294 WeakPolarHBondContact O-CB 3.28Å; S1290-L1294 WeakPolarHBondContact O-CG 3.3Å; S1290-L1294 PolarHBondContact O-N 3.11Å; Y1291-L1294 PolarHBondContact O-N 3.28Å; Y1291-L1294 VanDerWaalsContact O-N 3.16Å; H1292-L1294 VanDerWaalsContact C-N 3.34Å; H1292-L1294 PolarHBondContact O-N 3.33Å; L1294-P1296 VanDerWaalsContact C-CD 3.5Å; L1294-I1297 HydrophobicContact CD2-CD1 4.14Å; L1294-I1297 PolarHBondContact O-N 3.26Å; L1294-I1297 VanDerWaalsContact O-N 3.15Å; L1294-M1298 WeakPolarHBondContact O-CG 3.36Å; L1294-M1298 PolarHBondContact O-N 3.34Å |
| 1295 | Q | 85.5 | Confident | 79.8 | Confident | 17 Ų | 17 | 36.3 Ų | 36.3 | 8% | 0.079 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -54.9 | -42.3 | -176.9 | -167.2 | 169.9 | 36.7 | 0 | 0 | 114.1 | Y1291 I1297 M1298 G1299 G1364 | Y1291-Q1295 WeakPolarHBondContact O-CB 3.48Å; Y1291-Q1295 PolarHBondContact O-N 3.13Å; Y1291-Q1295 PolarHBondContact OH-NE2 3.05Å; Y1291-Q1295 VanDerWaalsContact OH-NE2 3.07Å; Q1295-I1297 VanDerWaalsContact C-N 3.33Å; Q1295-I1297 PolarHBondContact O-N 2.95Å; Q1295-M1298 WeakPolarHBondContact O-CB 3.3Å; Q1295-M1298 PolarHBondContact O-N 3.38Å; Q1295-G1299 PolarHBondContact O-N 3.28Å; Q1295-G1364 VanDerWaalsContact O-O 3.09Å |
| 1296 | P | 82 | Confident | 82.2 | Confident | 71 Ų | 71 | 29.8 Ų | 29.8 | 46% | 0.461 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -60.4 | -40.8 | 177.4 | -23.9 | 34.8 | 0 | 0 | 0 | 113.2 | L1294 G1299 C1300 | L1294-P1296 VanDerWaalsContact C-CD 3.5Å; P1296-G1299 PolarHBondContact O-N 2.89Å; P1296-C1300 PolarHBondContact O-N 3.08Å |
| 1297 | I | 87.8 | Confident | 84.3 | Confident | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.01 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -67.5 | -42.5 | 178.4 | -55 | 173 | 0 | 0 | 0 | 109.9 | F1096 L1100 V1103 M1115 I1229 L1294 Q1295 C1300 L1301 | F1096-I1297 HydrophobicContact CZ-CG2 4.17Å; L1100-I1297 HydrophobicContact CD1-CG2 4.36Å; V1103-I1297 HydrophobicContact CG1-CD1 4.34Å; M1115-I1297 HydrophobicContact CB-CD1 3.63Å; M1115-I1297 HydrophobicContact CB-CG1 4.05Å; M1115-I1297 HydrophobicContact CE-CD1 4.41Å; M1115-I1297 HydrophobicContact CE-CG2 4.2Å; M1115-I1297 HydrophobicContact CG-CD1 3.9Å; I1229-I1297 HydrophobicContact CD1-CG2 3.78Å; L1294-I1297 HydrophobicContact CD2-CD1 4.14Å; L1294-I1297 PolarHBondContact O-N 3.26Å; L1294-I1297 VanDerWaalsContact O-N 3.15Å; Q1295-I1297 VanDerWaalsContact C-N 3.33Å; Q1295-I1297 PolarHBondContact O-N 2.95Å; I1297-C1300 PolarHBondContact O-N 2.69Å; I1297-L1301 HydrophobicContact CG2-CD1 4.23Å; I1297-L1301 WeakPolarHBondContact O-CG 3.41Å; I1297-L1301 PolarHBondContact O-N 3.44Å |
| 1298 | M | 89.8 | Confident | 85.5 | Confident | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.6 | -42.7 | 174.7 | -68 | 172.7 | 55.3 | 0 | 0 | 111.9 | L1226 I1229 L1230 I1233 Y1291 L1294 Q1295 L1301 S1302 Y1362 | L1226-M1298 HydrophobicContact CD1-CB 4.3Å; L1226-M1298 HydrophobicContact CD1-CG 4.36Å; I1229-M1298 HydrophobicContact CB-CG 4.44Å; I1229-M1298 HydrophobicContact CG2-CG 3.48Å; I1229-M1298 VanDerWaalsContact CG2-CG 3.48Å; I1229-M1298 HydrophobicContact CG2-SD 3.82Å; L1230-M1298 HydrophobicContact CD2-CE 3.44Å; L1230-M1298 VanDerWaalsContact CD2-CE 3.44Å; L1230-M1298 HydrophobicContact CG-CE 4.34Å; I1233-M1298 HydrophobicContact CD1-CE 4.33Å; I1233-M1298 HydrophobicContact CD1-SD 3.31Å; I1233-M1298 WeakPolarHBondContact CD1-SD 3.27Å; Y1291-M1298 HydrophobicContact CD2-SD 4.48Å; Y1291-M1298 HydrophobicContact CE2-CE 4.18Å; Y1291-M1298 HydrophobicContact CE2-SD 4.49Å; L1294-M1298 WeakPolarHBondContact O-CG 3.36Å; L1294-M1298 PolarHBondContact O-N 3.34Å; Q1295-M1298 WeakPolarHBondContact O-CB 3.3Å; Q1295-M1298 PolarHBondContact O-N 3.38Å; M1298-L1301 PolarHBondContact O-N 3.27Å; M1298-S1302 VanDerWaalsContact O-CB 3.28Å; M1298-S1302 WeakPolarHBondContact O-CB 3.26Å; M1298-S1302 PolarHBondContact O-N 3.16Å; M1298-S1302 PolarHBondContact O-OG 3.05Å; M1298-Y1362 WeakPolarHBondContact CE-O 3.3Å |
| 1299 | G | 89.4 | Confident | 86.2 | Confident | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -60.9 | -45.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q1295 P1296 S1302 T1303 G1364 Y1365 | Q1295-G1299 PolarHBondContact O-N 3.28Å; P1296-G1299 PolarHBondContact O-N 2.89Å; G1299-S1302 PolarHBondContact O-N 3.13Å; G1299-T1303 WeakPolarHBondContact O-CB 3.43Å; G1299-T1303 PolarHBondContact O-N 3.47Å; G1299-T1303 PolarHBondContact O-OG1 3.3Å; G1299-G1364 WeakPolarHBondContact CA-O 3.47Å; G1299-G1364 PolarHBondContact N-O 3.38Å; G1299-Y1365 PolarHBondContact O-OH 3.06Å; G1299-Y1365 VanDerWaalsContact O-OH 3.04Å |
| 1300 | C | 91 | Very high | 87 | Confident | 2 Ų | 2 | 17.4 Ų | 17.4 | 1% | 0.014 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -57.8 | -53.9 | 173.7 | 175.1 | 0 | 0 | 0 | 0 | 111.8 | C1119 L1123 P1296 I1297 S1302 T1303 V1304 | C1119-C1300 VanDerWaalsContact CA-SG 3.6Å; C1119-C1300 HydrophobicContact CB-CB 3.74Å; C1119-C1300 WeakPolarHBondContact CB-SG 3.48Å; L1123-C1300 HydrophobicContact CD1-CB 4.45Å; P1296-C1300 PolarHBondContact O-N 3.08Å; I1297-C1300 PolarHBondContact O-N 2.69Å; C1300-S1302 VanDerWaalsContact C-N 3.33Å; C1300-S1302 PolarHBondContact O-N 2.89Å; C1300-T1303 WeakPolarHBondContact O-CB 3.48Å; C1300-T1303 PolarHBondContact O-N 3.49Å; C1300-T1303 VanDerWaalsContact O-N 3.14Å; C1300-V1304 WeakPolarHBondContact O-CG2 3.44Å; C1300-V1304 PolarHBondContact O-N 2.93Å |
| 1301 | L | 92.7 | Very high | 87.3 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -62.9 | -38.3 | -179 | -72.5 | 172.4 | 0 | 0 | 0 | 112.4 | F1096 L1122 Q1225 L1226 I1229 I1297 M1298 T1303 V1304 L1305 | F1096-L1301 HydrophobicContact CE1-CD1 4.28Å; F1096-L1301 HydrophobicContact CE1-CD2 4.02Å; F1096-L1301 HydrophobicContact CZ-CD1 4.23Å; F1096-L1301 HydrophobicContact CZ-CD2 3.86Å; F1096-L1301 HydrophobicContact CZ-CG 4.13Å; L1122-L1301 HydrophobicContact CD2-CD2 3.98Å; Q1225-L1301 HydrophobicContact CB-CD1 4.09Å; Q1225-L1301 HydrophobicContact CB-CD2 4.42Å; L1226-L1301 HydrophobicContact CB-CB 4.31Å; L1226-L1301 HydrophobicContact CB-CD1 4.41Å; L1226-L1301 HydrophobicContact CD1-CB 4.11Å; I1229-L1301 HydrophobicContact CD1-CD1 3.57Å; I1297-L1301 HydrophobicContact CG2-CD1 4.23Å; I1297-L1301 WeakPolarHBondContact O-CG 3.41Å; I1297-L1301 PolarHBondContact O-N 3.44Å; M1298-L1301 PolarHBondContact O-N 3.27Å; L1301-T1303 VanDerWaalsContact C-N 3.33Å; L1301-T1303 PolarHBondContact O-N 3.18Å; L1301-V1304 PolarHBondContact O-N 3.43Å; L1301-L1305 VanDerWaalsContact O-CB 3.27Å; L1301-L1305 WeakPolarHBondContact O-CB 3.38Å; L1301-L1305 PolarHBondContact O-N 3.38Å |
| 1302 | S | 92.3 | Very high | 87.4 | Confident | 1 Ų | 1 | 17.5 Ų | 17.5 | 1% | 0.007 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -62.1 | -42.9 | 174.1 | -57.7 | 0 | 0 | 0 | 0 | 111 | M1298 G1299 C1300 V1304 L1305 F1306 M1359 | M1298-S1302 VanDerWaalsContact O-CB 3.28Å; M1298-S1302 WeakPolarHBondContact O-CB 3.26Å; M1298-S1302 PolarHBondContact O-N 3.16Å; M1298-S1302 PolarHBondContact O-OG 3.05Å; G1299-S1302 PolarHBondContact O-N 3.13Å; C1300-S1302 VanDerWaalsContact C-N 3.33Å; C1300-S1302 PolarHBondContact O-N 2.89Å; S1302-V1304 PolarHBondContact O-N 3.14Å; S1302-L1305 PolarHBondContact O-N 3.47Å; S1302-F1306 VanDerWaalsContact O-CD2 3.3Å; S1302-F1306 WeakPolarHBondContact O-CD2 3.41Å; S1302-F1306 PolarHBondContact O-N 3.42Å; S1302-M1359 WeakPolarHBondContact OG-CE 3.29Å |
| 1303 | T | 92.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -62.9 | -43.6 | 178.2 | -54.2 | 0 | 0 | 0 | 0 | 111.6 | P164 I165 H168 L1123 G1299 C1300 L1301 S1307 Y1365 M1434 | P164-T1303 HydrophobicContact CB-CG2 4.08Å; I165-T1303 HydrophobicContact CB-CG2 4.42Å; I165-T1303 HydrophobicContact CG1-CG2 3.84Å; H168-T1303 HydrophobicContact CB-CG2 4.28Å; L1123-T1303 HydrophobicContact CD2-CG2 3.79Å; G1299-T1303 WeakPolarHBondContact O-CB 3.43Å; G1299-T1303 PolarHBondContact O-N 3.47Å; G1299-T1303 PolarHBondContact O-OG1 3.3Å; C1300-T1303 WeakPolarHBondContact O-CB 3.48Å; C1300-T1303 PolarHBondContact O-N 3.49Å; C1300-T1303 VanDerWaalsContact O-N 3.14Å; L1301-T1303 VanDerWaalsContact C-N 3.33Å; L1301-T1303 PolarHBondContact O-N 3.18Å; T1303-S1307 WeakPolarHBondContact O-CB 3Å; T1303-S1307 PolarHBondContact O-N 3.33Å; T1303-S1307 PolarHBondContact O-OG 2.93Å; T1303-Y1365 PolarHBondContact OG1-OH 3.48Å; T1303-M1434 HydrophobicContact CG2-CE 3.7Å; T1303-M1434 WeakPolarHBondContact OG1-CE 3.49Å |
| 1304 | V | 92.5 | Very high | 87.3 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -65.4 | -45.5 | 177 | 169.9 | 0 | 0 | 0 | 0 | 111 | L1122 L1123 M1126 F1218 T1222 C1300 L1301 S1302 S1307 S1308 | L1122-V1304 HydrophobicContact CD2-CG2 3.92Å; L1122-V1304 HydrophobicContact CG-CG2 3.8Å; L1123-V1304 HydrophobicContact CD2-CG2 3.99Å; M1126-V1304 HydrophobicContact CG-CG1 3.9Å; M1126-V1304 HydrophobicContact CG-CG2 4.19Å; M1126-V1304 HydrophobicContact SD-CG1 4.44Å; F1218-V1304 HydrophobicContact CE1-CG1 3.86Å; F1218-V1304 HydrophobicContact CZ-CG1 3.94Å; T1222-V1304 HydrophobicContact CG2-CG1 3.67Å; C1300-V1304 WeakPolarHBondContact O-CG2 3.44Å; C1300-V1304 PolarHBondContact O-N 2.93Å; L1301-V1304 PolarHBondContact O-N 3.43Å; S1302-V1304 PolarHBondContact O-N 3.14Å; V1304-S1307 PolarHBondContact O-N 3.29Å; V1304-S1308 VanDerWaalsContact O-CB 3.31Å; V1304-S1308 WeakPolarHBondContact O-CB 3.42Å; V1304-S1308 PolarHBondContact O-N 3.17Å; V1304-S1308 PolarHBondContact O-OG 3.35Å |
| 1305 | L | 93.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -58.7 | -55.8 | 177.9 | 176 | 63 | 0 | 0 | 0 | 110.9 | L1219 M1223 L1226 L1301 S1302 S1307 S1308 L1309 L1355 M1359 | L1219-L1305 HydrophobicContact CD1-CD1 3.71Å; M1223-L1305 HydrophobicContact CG-CD1 3.57Å; L1226-L1305 HydrophobicContact CD2-CD2 3.98Å; L1301-L1305 VanDerWaalsContact O-CB 3.27Å; L1301-L1305 WeakPolarHBondContact O-CB 3.38Å; L1301-L1305 PolarHBondContact O-N 3.38Å; S1302-L1305 PolarHBondContact O-N 3.47Å; L1305-S1307 VanDerWaalsContact C-N 3.34Å; L1305-S1307 PolarHBondContact O-N 3.06Å; L1305-S1308 WeakPolarHBondContact O-CB 3.49Å; L1305-S1308 PolarHBondContact O-N 2.96Å; L1305-S1308 VanDerWaalsContact O-N 3.15Å; L1305-L1309 HydrophobicContact CD1-CD1 4Å; L1305-L1309 HydrophobicContact CD1-CG 4.22Å; L1305-L1309 HydrophobicContact CG-CD1 3.96Å; L1305-L1309 WeakPolarHBondContact O-CG 3.41Å; L1305-L1309 PolarHBondContact O-N 3.29Å; L1305-L1355 HydrophobicContact CD2-CD2 3.8Å; L1305-M1359 HydrophobicContact CD2-SD 4.46Å |
| 1306 | F | 92.3 | Very high | 86 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -70.1 | -29.6 | -177.1 | -80.1 | -77.3 | 0 | 0 | 0 | 113.2 | S1302 L1309 R1310 F1356 M1359 I1438 A1441 E1442 | S1302-F1306 VanDerWaalsContact O-CD2 3.3Å; S1302-F1306 WeakPolarHBondContact O-CD2 3.41Å; S1302-F1306 PolarHBondContact O-N 3.42Å; F1306-L1309 HydrophobicContact CD1-CD1 4.24Å; F1306-L1309 HydrophobicContact CE1-CD1 4.29Å; F1306-R1310 WeakPolarHBondContact O-CB 3.48Å; F1306-R1310 WeakPolarHBondContact O-CG 3.36Å; F1306-R1310 PolarHBondContact O-N 3.4Å; F1306-F1356 HydrophobicContact CE1-CE1 4.31Å; F1306-F1356 HydrophobicContact CZ-CD1 4.34Å; F1306-F1356 AromaticContact CZ-CE1 3.83Å; F1306-F1356 HydrophobicContact CZ-CE1 3.83Å; F1306-F1356 HydrophobicContact CZ-CZ 4.44Å; F1306-M1359 HydrophobicContact CD2-CE 4.42Å; F1306-M1359 HydrophobicContact CE2-CE 3.61Å; F1306-M1359 HydrophobicContact CE2-SD 3.96Å; F1306-M1359 HydrophobicContact CZ-CE 4.49Å; F1306-I1438 HydrophobicContact CD1-CG2 4.38Å; F1306-I1438 HydrophobicContact CD2-CB 4.41Å; F1306-I1438 HydrophobicContact CD2-CG1 4.23Å; F1306-I1438 HydrophobicContact CD2-CG2 3.57Å; F1306-I1438 HydrophobicContact CE1-CG2 4.24Å; F1306-I1438 HydrophobicContact CE2-CG2 3.42Å; F1306-I1438 VanDerWaalsContact CE2-CG2 3.42Å; F1306-I1438 HydrophobicContact CG-CG1 4.43Å; F1306-I1438 HydrophobicContact CG-CG2 4.07Å; F1306-I1438 HydrophobicContact CZ-CG2 3.76Å; F1306-A1441 HydrophobicContact CD1-CB 3.74Å; F1306-A1441 HydrophobicContact CE1-CB 4.45Å; F1306-E1442 HydrophobicContact CE1-CB 3.62Å; F1306-E1442 HydrophobicContact CE1-CG 4.11Å; F1306-E1442 HydrophobicContact CZ-CB 3.92Å; F1306-E1442 HydrophobicContact CZ-CG 4.07Å |
| 1307 | S | 89.8 | Confident | 85.7 | Confident | 6 Ų | 6 | 16.6 Ų | 16.6 | 4% | 0.042 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -67.4 | -41.2 | 170.6 | -57.7 | 0 | 0 | 0 | 0 | 111.3 | I165 T1303 V1304 L1305 R1310 M1311 | I165-S1307 WeakPolarHBondContact CG1-OG 3.25Å; T1303-S1307 WeakPolarHBondContact O-CB 3Å; T1303-S1307 PolarHBondContact O-N 3.33Å; T1303-S1307 PolarHBondContact O-OG 2.93Å; V1304-S1307 PolarHBondContact O-N 3.29Å; L1305-S1307 VanDerWaalsContact C-N 3.34Å; L1305-S1307 PolarHBondContact O-N 3.06Å; S1307-R1310 PolarHBondContact O-N 2.72Å; S1307-M1311 WeakPolarHBondContact O-CG 3.22Å; S1307-M1311 PolarHBondContact O-N 2.81Å; S1307-M1311 VanDerWaalsContact O-N 3.14Å |
| 1308 | S | 86.6 | Confident | 84.9 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -62.9 | -46.2 | 175.1 | -56.8 | 0 | 0 | 0 | 0 | 111.5 | M1126 V1304 L1305 R1310 M1311 | M1126-S1308 VanDerWaalsContact CE-OG 3.27Å; M1126-S1308 WeakPolarHBondContact CE-OG 3.43Å; V1304-S1308 VanDerWaalsContact O-CB 3.31Å; V1304-S1308 WeakPolarHBondContact O-CB 3.42Å; V1304-S1308 PolarHBondContact O-N 3.17Å; V1304-S1308 PolarHBondContact O-OG 3.35Å; L1305-S1308 WeakPolarHBondContact O-CB 3.49Å; L1305-S1308 PolarHBondContact O-N 2.96Å; L1305-S1308 VanDerWaalsContact O-N 3.15Å; S1308-R1310 PolarHBondContact O-N 3.12Å; S1308-M1311 PolarHBondContact O-N 2.87Å |
| 1309 | L | 88.2 | Confident | 84 | Confident | 3 Ų | 3 | 20.6 Ų | 20.6 | 2% | 0.016 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63.1 | -40.3 | 178 | -69.8 | 172 | 0 | 0 | 0 | 112.1 | L1219 L1305 F1306 M1311 L1312 W1317 F1356 V1445 | L1219-L1309 HydrophobicContact CD1-CD2 3.92Å; L1219-L1309 HydrophobicContact CD1-CG 4.18Å; L1219-L1309 HydrophobicContact CD2-CD2 4.18Å; L1305-L1309 HydrophobicContact CD1-CD1 4Å; L1305-L1309 HydrophobicContact CD1-CG 4.22Å; L1305-L1309 HydrophobicContact CG-CD1 3.96Å; L1305-L1309 WeakPolarHBondContact O-CG 3.41Å; L1305-L1309 PolarHBondContact O-N 3.29Å; F1306-L1309 HydrophobicContact CD1-CD1 4.24Å; F1306-L1309 HydrophobicContact CE1-CD1 4.29Å; L1309-M1311 VanDerWaalsContact C-N 3.28Å; L1309-M1311 PolarHBondContact O-N 2.83Å; L1309-L1312 HydrophobicContact CD2-CD1 4.43Å; L1309-L1312 WeakPolarHBondContact O-CB 3.44Å; L1309-L1312 PolarHBondContact O-N 3.25Å; L1309-L1312 VanDerWaalsContact O-N 3.16Å; L1309-W1317 HydrophobicContact CD2-CH2 3.82Å; L1309-W1317 HydrophobicContact CD2-CZ2 3.8Å; L1309-F1356 HydrophobicContact CD1-CE1 4.47Å; L1309-F1356 HydrophobicContact CD1-CZ 4.28Å; L1309-V1445 HydrophobicContact CB-CG2 3.81Å; L1309-V1445 HydrophobicContact CD1-CG2 4.23Å; L1309-V1445 HydrophobicContact CD2-CG1 4.47Å; L1309-V1445 HydrophobicContact CG-CG2 4.41Å |
| 1310 | R | 85.6 | Confident | 83.1 | Confident | 100 Ų | 100 | 21.6 Ų | 21.6 | 38% | 0.377 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -66.8 | -26.3 | 176.2 | -75.3 | -178.8 | 74 | 176.3 | 0.7 | 113.5 | F1306 S1307 S1308 L1312 L1437 A1441 | F1306-R1310 WeakPolarHBondContact O-CB 3.48Å; F1306-R1310 WeakPolarHBondContact O-CG 3.36Å; F1306-R1310 PolarHBondContact O-N 3.4Å; S1307-R1310 PolarHBondContact O-N 2.72Å; S1308-R1310 PolarHBondContact O-N 3.12Å; R1310-L1312 VanDerWaalsContact C-N 3.27Å; R1310-L1312 PolarHBondContact O-N 3.48Å; R1310-L1437 VanDerWaalsContact NH1-CD1 3.3Å; R1310-A1441 HydrophobicContact CG-CB 3.88Å |
| 1311 | M | 83.3 | Confident | 82.1 | Confident | 27 Ų | 27 | 22.1 Ų | 22.1 | 13% | 0.133 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -72.9 | -18.3 | 174.4 | -73.2 | -170.9 | 74 | 0 | 0 | 113 | F1129 T1130 T1133 I1209 L1213 S1307 S1308 L1309 T1313 | F1129-M1311 HydrophobicContact CD1-CE 4.13Å; F1129-M1311 HydrophobicContact CD1-SD 4.33Å; F1129-M1311 HydrophobicContact CE1-CE 3.97Å; T1130-M1311 HydrophobicContact CG2-CE 4.4Å; T1130-M1311 HydrophobicContact CG2-CG 4.48Å; T1130-M1311 HydrophobicContact CG2-SD 4.01Å; T1130-M1311 PolarHBondContact OG1-SD 3.09Å; T1133-M1311 WeakPolarHBondContact OG1-CE 3.23Å; I1209-M1311 HydrophobicContact CD1-CE 3.81Å; I1209-M1311 HydrophobicContact CG1-CE 3.95Å; I1209-M1311 HydrophobicContact CG2-CB 4.38Å; L1213-M1311 HydrophobicContact CD1-CB 4.27Å; S1307-M1311 WeakPolarHBondContact O-CG 3.22Å; S1307-M1311 PolarHBondContact O-N 2.81Å; S1307-M1311 VanDerWaalsContact O-N 3.14Å; S1308-M1311 PolarHBondContact O-N 2.87Å; L1309-M1311 VanDerWaalsContact C-N 3.28Å; L1309-M1311 PolarHBondContact O-N 2.83Å; M1311-T1313 PolarHBondContact O-N 3.14Å |
| 1312 | L | 81.8 | Confident | 80.9 | Confident | 2 Ų | 2 | 24.5 Ų | 24.5 | 1% | 0.01 | 12% | 0.122 | C | C | . | . | trans | -76.3 | 125.2 | 179.8 | -64.9 | 172.4 | 0 | 0 | 0 | 111.3 | R1186 L1213 I1214 L1219 L1309 R1310 W1317 | R1186-L1312 PolarHBondContact NH2-O 3.06Å; L1213-L1312 HydrophobicContact CD1-CD2 3.99Å; L1213-L1312 HydrophobicContact CD1-CG 4.3Å; I1214-L1312 HydrophobicContact CD1-CD2 4.06Å; L1219-L1312 HydrophobicContact CD2-CD1 4.07Å; L1309-L1312 HydrophobicContact CD2-CD1 4.43Å; L1309-L1312 WeakPolarHBondContact O-CB 3.44Å; L1309-L1312 PolarHBondContact O-N 3.25Å; L1309-L1312 VanDerWaalsContact O-N 3.16Å; R1310-L1312 VanDerWaalsContact C-N 3.27Å; R1310-L1312 PolarHBondContact O-N 3.48Å; L1312-W1317 HydrophobicContact CB-CZ2 4.33Å; L1312-W1317 HydrophobicContact CD1-CD2 4.21Å; L1312-W1317 HydrophobicContact CD1-CE3 4.5Å; L1312-W1317 HydrophobicContact CD1-CH2 3.8Å; L1312-W1317 HydrophobicContact CD1-CZ2 3.44Å; L1312-W1317 VanDerWaalsContact CD1-CZ2 3.44Å; L1312-W1317 HydrophobicContact CD1-CZ3 4.3Å | ||
| 1313 | T | 76.3 | Confident | 79.5 | Confident | 56 Ų | 56 | 25.9 Ų | 25.9 | 34% | 0.344 | 13% | 0.132 | S | C | . | . | trans | -84.2 | 161.2 | 171.3 | 71.2 | 0 | 0 | 0 | 0 | 111.4 | M1311 C1315 S1316 W1317 | M1311-T1313 PolarHBondContact O-N 3.14Å; T1313-C1315 PolarHBondContact O-N 3.38Å; T1313-S1316 PolarHBondContact N-OG 3.18Å; T1313-S1316 WeakPolarHBondContact O-CA 3.28Å; T1313-S1316 WeakPolarHBondContact O-CB 3.44Å; T1313-S1316 PolarHBondContact O-N 2.71Å; T1313-S1316 PolarHBondContact OG1-N 2.84Å; T1313-S1316 PolarHBondContact OG1-OG 3.49Å; T1313-W1317 VanDerWaalsContact O-CD1 3.24Å; T1313-W1317 PolarHBondContact O-N 2.85Å | ||
| 1314 | K | 75.7 | Confident | 78 | Confident | 75 Ų | 75 | 27.1 Ų | 27.1 | 33% | 0.326 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -52.8 | -41 | 171.2 | -73.7 | -170.3 | 170.8 | -169.2 | 0 | 110.5 | W1317 V1318 V1448 E1451 L1452 | K1314-W1317 PolarHBondContact O-N 3.41Å; K1314-V1318 WeakPolarHBondContact O-CG2 3.48Å; K1314-V1318 PolarHBondContact O-N 3.17Å; K1314-V1448 HydrophobicContact CG-CG1 4.36Å; K1314-E1451 WeakPolarHBondContact CE-OE2 3.47Å; K1314-E1451 IonicContact NZ-OE1 3.29Å; K1314-E1451 PolarHBondContact NZ-OE1 3.44Å; K1314-E1451 IonicContact NZ-OE2 2.83Å; K1314-E1451 PolarHBondContact NZ-OE2 3.21Å; K1314-L1452 HydrophobicContact CB-CD1 4.33Å; K1314-L1452 HydrophobicContact CG-CD1 4.42Å |
| 1315 | C | 71.7 | Confident | 76 | Confident | 66 Ų | 66 | 34.2 Ų | 34.2 | 45% | 0.446 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -62.3 | -42.1 | 173.7 | -173.4 | 0 | 0 | 0 | 0 | 112.7 | T1313 W1317 V1318 K1319 | T1313-C1315 PolarHBondContact O-N 3.38Å; C1315-W1317 VanDerWaalsContact C-N 3.34Å; C1315-W1317 PolarHBondContact O-N 3.23Å; C1315-V1318 PolarHBondContact O-N 2.85Å; C1315-K1319 PolarHBondContact O-N 3.35Å |
| 1316 | S | 71.1 | Confident | 73.9 | Confident | 3 Ų | 3 | 41.9 Ų | 41.9 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.5 | -40 | 175.9 | -50.6 | 0 | 0 | 0 | 0 | 112.4 | T1313 F1320 | T1313-S1316 PolarHBondContact N-OG 3.18Å; T1313-S1316 WeakPolarHBondContact O-CA 3.28Å; T1313-S1316 WeakPolarHBondContact O-CB 3.44Å; T1313-S1316 PolarHBondContact O-N 2.71Å; T1313-S1316 PolarHBondContact OG1-N 2.84Å; T1313-S1316 PolarHBondContact OG1-OG 3.49Å; S1316-F1320 WeakPolarHBondContact O-CB 3.39Å; S1316-F1320 PolarHBondContact O-N 3.42Å |
| 1317 | W | 76.3 | Confident | 71.6 | Confident | 5 Ų | 5 | 46.4 Ų | 46.4 | 2% | 0.019 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.7 | -42.2 | 173.6 | -75.8 | 111.5 | 0 | 0 | 0 | 111.8 | L1309 L1312 T1313 K1314 C1315 F1320 F1321 F1348 V1445 V1448 L1449 L1452 | L1309-W1317 HydrophobicContact CD2-CH2 3.82Å; L1309-W1317 HydrophobicContact CD2-CZ2 3.8Å; L1312-W1317 HydrophobicContact CB-CZ2 4.33Å; L1312-W1317 HydrophobicContact CD1-CD2 4.21Å; L1312-W1317 HydrophobicContact CD1-CE3 4.5Å; L1312-W1317 HydrophobicContact CD1-CH2 3.8Å; L1312-W1317 HydrophobicContact CD1-CZ2 3.44Å; L1312-W1317 VanDerWaalsContact CD1-CZ2 3.44Å; L1312-W1317 HydrophobicContact CD1-CZ3 4.3Å; T1313-W1317 VanDerWaalsContact O-CD1 3.24Å; T1313-W1317 PolarHBondContact O-N 2.85Å; K1314-W1317 PolarHBondContact O-N 3.41Å; C1315-W1317 VanDerWaalsContact C-N 3.34Å; C1315-W1317 PolarHBondContact O-N 3.23Å; W1317-F1320 HydrophobicContact CE3-CD1 4.02Å; W1317-F1320 HydrophobicContact CZ3-CD1 4.11Å; W1317-F1320 HydrophobicContact CZ3-CE1 4.36Å; W1317-F1320 VanDerWaalsContact O-CB 3.31Å; W1317-F1320 WeakPolarHBondContact O-CB 3.28Å; W1317-F1320 PolarHBondContact O-N 3.32Å; W1317-F1321 HydrophobicContact CB-CE2 4.17Å; W1317-F1321 AromaticContact CE3-CE2 3.84Å; W1317-F1321 HydrophobicContact CE3-CE2 3.84Å; W1317-F1321 AromaticContact CE3-CZ 3.77Å; W1317-F1321 HydrophobicContact CE3-CZ 3.77Å; W1317-F1321 HydrophobicContact CZ3-CZ 4.17Å; W1317-F1321 WeakPolarHBondContact O-CD2 3.47Å; W1317-F1321 WeakPolarHBondContact O-CG 3.4Å; W1317-F1321 PolarHBondContact O-N 3.23Å; W1317-F1348 HydrophobicContact CH2-CZ 4.45Å; W1317-F1348 HydrophobicContact CZ3-CE1 4.05Å; W1317-F1348 HydrophobicContact CZ3-CZ 4.19Å; W1317-V1445 HydrophobicContact CZ2-CG1 4.28Å; W1317-V1448 HydrophobicContact CG-CG1 4.35Å; W1317-L1449 HydrophobicContact CE3-CD2 4.09Å; W1317-L1449 HydrophobicContact CH2-CD2 4.35Å; W1317-L1449 HydrophobicContact CZ3-CD2 4.02Å; W1317-L1452 HydrophobicContact CB-CD1 3.94Å |
| 1318 | V | 71.8 | Confident | 69 | Low | 40 Ų | 40 | 50.9 Ų | 50.9 | 24% | 0.242 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.4 | -48.8 | 175 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | K1314 C1315 F1320 F1321 Q1322 L1452 L1469 | K1314-V1318 WeakPolarHBondContact O-CG2 3.48Å; K1314-V1318 PolarHBondContact O-N 3.17Å; C1315-V1318 PolarHBondContact O-N 2.85Å; V1318-F1320 VanDerWaalsContact C-N 3.26Å; V1318-F1320 PolarHBondContact O-N 2.85Å; V1318-F1321 PolarHBondContact O-N 2.86Å; V1318-Q1322 WeakPolarHBondContact O-CG 3.5Å; V1318-Q1322 PolarHBondContact O-N 3.36Å; V1318-L1452 HydrophobicContact CG2-CD1 4.43Å; V1318-L1452 HydrophobicContact CG2-CD2 4.49Å; V1318-L1469 HydrophobicContact CG1-CD2 3.55Å; V1318-L1469 HydrophobicContact CG1-CG 4.23Å |
| 1319 | K | 69.1 | Low | 66.5 | Low | 47 Ų | 47 | 59.8 Ų | 59.8 | 20% | 0.204 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57.6 | -38.7 | 174.5 | -71.3 | -177.7 | -179.1 | 177.9 | 0 | 111.4 | D1203 S1206 D1207 F1210 C1315 Q1322 S1323 | D1203-K1319 IonicContact OD2-NZ 2.67Å; D1203-K1319 PolarHBondContact OD2-NZ 3.01Å; D1203-K1319 VanDerWaalsContact OD2-NZ 3.09Å; S1206-K1319 PolarHBondContact OG-NZ 3.26Å; D1207-K1319 IonicContact OD1-NZ 3.97Å; D1207-K1319 PolarHBondContact OD1-NZ 3.15Å; D1207-K1319 VanDerWaalsContact OD1-NZ 3.07Å; F1210-K1319 HydrophobicContact CD2-CB 3.88Å; F1210-K1319 HydrophobicContact CE2-CB 3.6Å; F1210-K1319 HydrophobicContact CZ-CB 4.26Å; C1315-K1319 PolarHBondContact O-N 3.35Å; K1319-Q1322 PolarHBondContact O-N 3.36Å; K1319-S1323 PolarHBondContact O-N 3.02Å |
| 1320 | F | 71.6 | Confident | 64.2 | Low | 21 Ų | 21 | 68.8 Ų | 68.8 | 9% | 0.092 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.6 | -54.3 | 177.2 | 176.6 | -125.3 | 0 | 0 | 0 | 110.8 | I1214 S1316 W1317 V1318 Q1322 S1323 V1324 F1348 | I1214-F1320 HydrophobicContact CB-CD2 4.1Å; I1214-F1320 HydrophobicContact CD1-CB 3.64Å; I1214-F1320 HydrophobicContact CD1-CD2 3.95Å; I1214-F1320 HydrophobicContact CD1-CG 4.03Å; I1214-F1320 HydrophobicContact CG1-CB 4.31Å; I1214-F1320 HydrophobicContact CG1-CD2 3.64Å; I1214-F1320 HydrophobicContact CG1-CE2 4.23Å; I1214-F1320 HydrophobicContact CG1-CG 4.17Å; I1214-F1320 HydrophobicContact CG2-CD2 3.4Å; I1214-F1320 HydrophobicContact CG2-CE2 3.96Å; I1214-F1320 HydrophobicContact CG2-CG 4.45Å; S1316-F1320 WeakPolarHBondContact O-CB 3.39Å; S1316-F1320 PolarHBondContact O-N 3.42Å; W1317-F1320 HydrophobicContact CE3-CD1 4.02Å; W1317-F1320 HydrophobicContact CZ3-CD1 4.11Å; W1317-F1320 HydrophobicContact CZ3-CE1 4.36Å; W1317-F1320 VanDerWaalsContact O-CB 3.31Å; W1317-F1320 WeakPolarHBondContact O-CB 3.28Å; W1317-F1320 PolarHBondContact O-N 3.32Å; V1318-F1320 VanDerWaalsContact C-N 3.26Å; V1318-F1320 PolarHBondContact O-N 2.85Å; F1320-Q1322 VanDerWaalsContact C-N 3.33Å; F1320-Q1322 PolarHBondContact O-N 3.18Å; F1320-S1323 PolarHBondContact O-N 2.64Å; F1320-S1323 VanDerWaalsContact O-N 3.14Å; F1320-S1323 PolarHBondContact O-OG 2.93Å; F1320-V1324 HydrophobicContact CD2-CG2 4.43Å; F1320-V1324 HydrophobicContact CE2-CG2 4.18Å; F1320-V1324 HydrophobicContact CZ-CG2 4.36Å; F1320-V1324 WeakPolarHBondContact O-CG2 3.49Å; F1320-V1324 PolarHBondContact O-N 3.44Å; F1320-F1348 HydrophobicContact CE1-CD1 4.01Å; F1320-F1348 HydrophobicContact CE1-CD2 4.44Å; F1320-F1348 AromaticContact CE1-CE1 3.84Å; F1320-F1348 HydrophobicContact CE1-CE1 3.84Å; F1320-F1348 HydrophobicContact CE1-CE2 4.28Å; F1320-F1348 HydrophobicContact CE1-CG 4.3Å; F1320-F1348 AromaticContact CE1-CZ 3.99Å; F1320-F1348 HydrophobicContact CE1-CZ 3.99Å; F1320-F1348 HydrophobicContact CZ-CD2 4.18Å; F1320-F1348 HydrophobicContact CZ-CE1 4.48Å; F1320-F1348 HydrophobicContact CZ-CE2 4.13Å; F1320-F1348 HydrophobicContact CZ-CG 4.38Å; F1320-F1348 HydrophobicContact CZ-CZ 4.28Å |
| 1321 | F | 70.9 | Confident | 61.6 | Low | 13 Ų | 13 | 68.4 Ų | 68.4 | 6% | 0.057 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67.7 | -30.8 | -178.4 | -61.5 | -55.2 | 0 | 0 | 0 | 112.7 | W1317 V1318 Y1325 I1345 L1449 V1453 | W1317-F1321 HydrophobicContact CB-CE2 4.17Å; W1317-F1321 AromaticContact CE3-CE2 3.84Å; W1317-F1321 HydrophobicContact CE3-CE2 3.84Å; W1317-F1321 AromaticContact CE3-CZ 3.77Å; W1317-F1321 HydrophobicContact CE3-CZ 3.77Å; W1317-F1321 HydrophobicContact CZ3-CZ 4.17Å; W1317-F1321 WeakPolarHBondContact O-CD2 3.47Å; W1317-F1321 WeakPolarHBondContact O-CG 3.4Å; W1317-F1321 PolarHBondContact O-N 3.23Å; V1318-F1321 PolarHBondContact O-N 2.86Å; F1321-Y1325 PolarHBondContact O-N 3.3Å; F1321-I1345 HydrophobicContact CB-CD1 4.27Å; F1321-I1345 HydrophobicContact CD1-CD1 4.11Å; F1321-I1345 HydrophobicContact CD1-CG1 4.06Å; F1321-I1345 HydrophobicContact CD1-CG2 4.14Å; F1321-I1345 HydrophobicContact CE1-CG2 4.13Å; F1321-L1449 HydrophobicContact CE2-CD2 4.2Å; F1321-L1449 HydrophobicContact CZ-CD2 3.77Å; F1321-V1453 HydrophobicContact CD2-CG2 3.72Å; F1321-V1453 HydrophobicContact CE1-CG2 4.22Å; F1321-V1453 HydrophobicContact CE2-CG2 3.27Å; F1321-V1453 HydrophobicContact CG-CG2 4.39Å; F1321-V1453 HydrophobicContact CZ-CG2 3.56Å |
| 1322 | Q | 66.9 | Low | 59.5 | Low | 49 Ų | 49 | 70.7 Ų | 70.7 | 23% | 0.229 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.8 | -48.2 | 168.8 | -74.8 | 177.3 | -32 | 0 | 0 | 111.7 | V1318 K1319 F1320 V1324 Y1325 Y1326 L1469 | V1318-Q1322 WeakPolarHBondContact O-CG 3.5Å; V1318-Q1322 PolarHBondContact O-N 3.36Å; K1319-Q1322 PolarHBondContact O-N 3.36Å; F1320-Q1322 VanDerWaalsContact C-N 3.33Å; F1320-Q1322 PolarHBondContact O-N 3.18Å; Q1322-V1324 VanDerWaalsContact C-N 3.3Å; Q1322-V1324 PolarHBondContact O-N 2.96Å; Q1322-Y1325 WeakPolarHBondContact O-CB 3.49Å; Q1322-Y1325 PolarHBondContact O-N 3.34Å; Q1322-Y1326 WeakPolarHBondContact O-CD2 3.44Å; Q1322-Y1326 PolarHBondContact O-N 3.05Å; Q1322-L1469 HydrophobicContact CB-CD2 4.36Å; Q1322-L1469 HydrophobicContact CG-CD2 3.01Å; Q1322-L1469 HydrophobicContact CG-CG 4.45Å; Q1322-L1469 PolarHBondContact NE2-O 2.95Å; Q1322-L1469 VanDerWaalsContact NE2-O 3.12Å |
| 1323 | S | 62.7 | Low | 57.5 | Low | 31 Ų | 31 | 80.2 Ų | 80.2 | 22% | 0.217 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -62.9 | -37.4 | -176.3 | 69.2 | 0 | 0 | 0 | 0 | 112.6 | K1319 F1320 Y1325 Y1326 T1327 | K1319-S1323 PolarHBondContact O-N 3.02Å; F1320-S1323 PolarHBondContact O-N 2.64Å; F1320-S1323 VanDerWaalsContact O-N 3.14Å; F1320-S1323 PolarHBondContact O-OG 2.93Å; S1323-Y1325 PolarHBondContact O-N 2.89Å; S1323-Y1326 PolarHBondContact O-N 3.43Å; S1323-T1327 WeakPolarHBondContact O-CG2 3.26Å; S1323-T1327 PolarHBondContact O-N 3.04Å; S1323-T1327 PolarHBondContact O-OG1 3.45Å |
| 1324 | V | 60.8 | Low | 55.8 | Low | 26 Ų | 26 | 79.8 Ų | 79.8 | 16% | 0.158 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -62.3 | -32 | 174.7 | 177.3 | 0 | 0 | 0 | 0 | 111.4 | F1320 Q1322 L1342 V1343 I1345 | F1320-V1324 HydrophobicContact CD2-CG2 4.43Å; F1320-V1324 HydrophobicContact CE2-CG2 4.18Å; F1320-V1324 HydrophobicContact CZ-CG2 4.36Å; F1320-V1324 WeakPolarHBondContact O-CG2 3.49Å; F1320-V1324 PolarHBondContact O-N 3.44Å; Q1322-V1324 VanDerWaalsContact C-N 3.3Å; Q1322-V1324 PolarHBondContact O-N 2.96Å; V1324-L1342 HydrophobicContact CB-CD2 4.47Å; V1324-L1342 HydrophobicContact CG2-CB 4.46Å; V1324-L1342 HydrophobicContact CG2-CD2 3.59Å; V1324-V1343 WeakPolarHBondContact CG1-O 3.48Å; V1324-I1345 HydrophobicContact CB-CG1 4.5Å; V1324-I1345 HydrophobicContact CG1-CG1 3.99Å |
| 1325 | Y | 50.7 | Low | 54 | Low | 148 Ų | 148 | 83.2 Ų | 83.2 | 58% | 0.58 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -75.4 | -32.3 | -178 | -166.9 | -93.1 | 0 | 0 | 0 | 113.6 | F1321 Q1322 S1323 | F1321-Y1325 PolarHBondContact O-N 3.3Å; Q1322-Y1325 WeakPolarHBondContact O-CB 3.49Å; Q1322-Y1325 PolarHBondContact O-N 3.34Å; S1323-Y1325 PolarHBondContact O-N 2.89Å |
| 1326 | Y | 49 | Very low | 52.4 | Low | 162 Ų | 162 | 87.5 Ų | 87.5 | 64% | 0.635 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -99.9 | -7.6 | -171.1 | -70.4 | -71.6 | 0 | 0 | 0 | 115.5 | Q1322 S1323 S1328 | Q1322-Y1326 WeakPolarHBondContact O-CD2 3.44Å; Q1322-Y1326 PolarHBondContact O-N 3.05Å; S1323-Y1326 PolarHBondContact O-N 3.43Å; Y1326-S1328 PolarHBondContact O-N 3.4Å; Y1326-S1328 VanDerWaalsContact O-N 3.12Å |
| 1327 | T | 44.7 | Very low | 50.8 | Low | 94 Ų | 94 | 89.5 Ų | 89.5 | 58% | 0.577 | 46% | 0.456 | S | S | * | . | trans | -84.8 | 85.8 | -179.2 | 53.1 | 0 | 0 | 0 | 0 | 112.2 | S1323 | S1323-T1327 WeakPolarHBondContact O-CG2 3.26Å; S1323-T1327 PolarHBondContact O-N 3.04Å; S1323-T1327 PolarHBondContact O-OG1 3.45Å | ||
| 1328 | S | 34 | Very low | 49 | Very low | 100 Ų | 100 | 95 Ų | 95 | 70% | 0.699 | 48% | 0.481 | S | S | * | . | trans | -119.4 | 99.4 | 155.4 | 66.3 | 0 | 0 | 0 | 0 | 108.3 | Y1326 | Y1326-S1328 PolarHBondContact O-N 3.4Å; Y1326-S1328 VanDerWaalsContact O-N 3.12Å | ||
| 1329 | E | 35 | Very low | 47.5 | Very low | 187 Ų | 187 | 99.1 Ų | 99.1 | 87% | 0.874 | 50% | 0.502 | S | S | * | . | S | Bend | trans | 158.4 | 145.6 | 149.1 | -85.9 | 167.2 | -170.5 | 0 | 0 | 112.4 | ||
| 1330 | E | 38.6 | Very low | 45.9 | Very low | 193 Ų | 193 | 99.1 Ų | 99.1 | 90% | 0.902 | 50% | 0.504 | S | S | * | . | trans | 74.2 | 89.4 | 175.1 | -56.1 | -167.1 | 170.4 | 0 | 0 | 118.2 | ||||
| 1331 | C | 31.6 | Very low | 44.6 | Very low | 91 Ų | 91 | 102.6 Ų | 102.6 | 62% | 0.615 | 52% | 0.521 | S | S | * | . | trans | -85 | 135.7 | -179.7 | -67 | 0 | 0 | 0 | 0 | 113.5 | Q1341 | C1331-Q1341 PolarHBondContact SG-NE2 3.39Š| ||
| 1332 | C | 38.8 | Very low | 43.4 | Very low | 76 Ų | 76 | 105 Ų | 105 | 51% | 0.514 | 53% | 0.534 | S | S | . | . | trans | -71.6 | 129.9 | 162.2 | 173 | 0 | 0 | 0 | 0 | 110.6 | C1334 C1337 | C1332-C1334 PolarHBondContact O-N 3.49Å; C1332-C1334 VanDerWaalsContact O-N 3.14Å; C1332-C1337 HydrophobicContact CB-CB 4.13Å; C1332-C1337 PolarHBondContact SG-SG 3.18Å | ||
| 1333 | Q | 41.3 | Very low | 42.8 | Very low | 202 Ų | 202 | 104.4 Ų | 104.4 | 94% | 0.944 | 53% | 0.534 | S | S | * | . | trans | -78.9 | 18.3 | -177.6 | -65.6 | -176.7 | -8.6 | 0 | 0 | 114.8 | ||||
| 1334 | C | 39.4 | Very low | 42.9 | Very low | 47 Ų | 47 | 107.8 Ų | 107.8 | 32% | 0.318 | 55% | 0.549 | S | S | . | . | trans | -91.4 | 131.2 | -179 | 120 | 0 | 0 | 0 | 0 | 111.8 | C1332 Y1336 C1337 H1338 | C1332-C1334 PolarHBondContact O-N 3.49Å; C1332-C1334 VanDerWaalsContact O-N 3.14Å; C1334-Y1336 PolarHBondContact O-N 2.96Å; C1334-C1337 HydrophobicContact CB-CB 3.98Å; C1334-C1337 WeakPolarHBondContact CB-SG 3.41Å; C1334-C1337 WeakPolarHBondContact O-CB 3.42Å; C1334-C1337 PolarHBondContact O-N 3.3Å; C1334-C1337 WeakPolarHBondContact SG-CB 3.41Å; C1334-C1337 PolarHBondContact SG-N 2.91Å; C1334-C1337 CovalentContact SG-SG 2.07Å; C1334-C1337 PolarHBondContact SG-SG 3.28Å; C1334-H1338 PolarHBondContact O-N 2.68Å | ||
| 1335 | N | 39.2 | Very low | 43.3 | Very low | 146 Ų | 146 | 107.9 Ų | 107.9 | 78% | 0.781 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -56.4 | -33.5 | -178.5 | -102.3 | 0.6 | 0 | 0 | 0 | 113.9 | ||
| 1336 | Y | 36.2 | Very low | 44.4 | Very low | 156 Ų | 156 | 102 Ų | 102 | 61% | 0.612 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -73.1 | -37 | 175.9 | -105.6 | -89.2 | 0 | 0 | 0 | 112 | C1334 N1339 L1340 | C1334-Y1336 PolarHBondContact O-N 2.96Å; Y1336-N1339 PolarHBondContact O-N 3.42Å; Y1336-L1340 WeakPolarHBondContact O-CB 3.42Å; Y1336-L1340 VanDerWaalsContact O-CD1 3.3Å; Y1336-L1340 WeakPolarHBondContact O-CD1 3.36Å; Y1336-L1340 WeakPolarHBondContact O-CG 3.35Å; Y1336-L1340 PolarHBondContact O-N 3.36Å |
| 1337 | C | 39 | Very low | 45.7 | Very low | 46 Ų | 46 | 97.8 Ų | 97.8 | 31% | 0.311 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -73.9 | -34.5 | -177.5 | -48.7 | 0 | 0 | 0 | 0 | 111.5 | C1332 C1334 N1339 L1340 Q1341 | C1332-C1337 HydrophobicContact CB-CB 4.13Å; C1332-C1337 PolarHBondContact SG-SG 3.18Å; C1334-C1337 HydrophobicContact CB-CB 3.98Å; C1334-C1337 WeakPolarHBondContact CB-SG 3.41Å; C1334-C1337 WeakPolarHBondContact O-CB 3.42Å; C1334-C1337 PolarHBondContact O-N 3.3Å; C1334-C1337 WeakPolarHBondContact SG-CB 3.41Å; C1334-C1337 PolarHBondContact SG-N 2.91Å; C1334-C1337 CovalentContact SG-SG 2.07Å; C1334-C1337 PolarHBondContact SG-SG 3.28Å; C1337-N1339 VanDerWaalsContact C-N 3.28Å; C1337-N1339 PolarHBondContact O-N 2.83Å; C1337-L1340 PolarHBondContact O-N 3.31Å; C1337-Q1341 PolarHBondContact O-N 3.01Å |
| 1338 | H | 37.4 | Very low | 47.4 | Very low | 119 Ų | 119 | 93.7 Ų | 93.7 | 55% | 0.551 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -60.9 | -37.5 | 175.3 | -166 | 61.7 | 0 | 0 | 0 | 111.9 | C1334 L1340 | C1334-H1338 PolarHBondContact O-N 2.68Å; H1338-L1340 VanDerWaalsContact C-N 3.28Å; H1338-L1340 PolarHBondContact O-N 3.36Å |
| 1339 | N | 41.8 | Very low | 49.7 | Very low | 127 Ų | 127 | 89 Ų | 89 | 68% | 0.679 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -6.9 | 174.8 | -68.1 | -17.7 | 0 | 0 | 0 | 113.8 | R1220 Y1336 C1337 | R1220-N1339 PolarHBondContact NH1-O 3.4Å; Y1336-N1339 PolarHBondContact O-N 3.42Å; C1337-N1339 VanDerWaalsContact C-N 3.28Å; C1337-N1339 PolarHBondContact O-N 2.83Å |
| 1340 | L | 35.5 | Very low | 52.1 | Low | 47 Ų | 47 | 83.4 Ų | 83.4 | 25% | 0.246 | 43% | 0.429 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | 3.3 | -173.3 | -83.8 | 165.3 | 0 | 0 | 0 | 114.3 | R1220 Y1336 C1337 H1338 | R1220-L1340 PolarHBondContact NH1-O 3.09Å; Y1336-L1340 WeakPolarHBondContact O-CB 3.42Å; Y1336-L1340 VanDerWaalsContact O-CD1 3.3Å; Y1336-L1340 WeakPolarHBondContact O-CD1 3.36Å; Y1336-L1340 WeakPolarHBondContact O-CG 3.35Å; Y1336-L1340 PolarHBondContact O-N 3.36Å; C1337-L1340 PolarHBondContact O-N 3.31Å; H1338-L1340 VanDerWaalsContact C-N 3.28Å; H1338-L1340 PolarHBondContact O-N 3.36Å |
| 1341 | Q | 43.6 | Very low | 54.4 | Low | 95 Ų | 95 | 76.1 Ų | 76.1 | 44% | 0.444 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -56.8 | 152.6 | 177.5 | -75 | -173.9 | -24.5 | 0 | 0 | 112.3 | R1220 C1331 C1337 V1343 | R1220-Q1341 PolarHBondContact NH1-O 2.85Å; C1331-Q1341 PolarHBondContact SG-NE2 3.39Å; C1337-Q1341 PolarHBondContact O-N 3.01Å; Q1341-V1343 WeakPolarHBondContact O-CG2 3.29Å; Q1341-V1343 PolarHBondContact O-N 3.45Å |
| 1342 | L | 46 | Very low | 57.1 | Low | 64 Ų | 64 | 71.8 Ų | 71.8 | 34% | 0.335 | 37% | 0.366 | S | S | . | . | trans | -56.4 | 107.6 | 173.6 | -79.5 | 98.4 | 0 | 0 | 0 | 107.7 | V1324 | V1324-L1342 HydrophobicContact CB-CD2 4.47Å; V1324-L1342 HydrophobicContact CG2-CB 4.46Å; V1324-L1342 HydrophobicContact CG2-CD2 3.59Å | ||
| 1343 | V | 54.1 | Low | 59.7 | Low | 36 Ų | 36 | 68.2 Ų | 68.2 | 22% | 0.218 | 34% | 0.341 | C | S | . | . | trans | -71.1 | 155.7 | -176.1 | -142.7 | 0 | 0 | 0 | 0 | 108.9 | R1220 V1324 Q1341 I1345 D1347 | R1220-V1343 VanDerWaalsContact NH2-CG2 3.34Å; V1324-V1343 WeakPolarHBondContact CG1-O 3.48Å; Q1341-V1343 WeakPolarHBondContact O-CG2 3.29Å; Q1341-V1343 PolarHBondContact O-N 3.45Å; V1343-I1345 PolarHBondContact O-N 3.48Å; V1343-D1347 HydrophobicContact CB-CB 3.9Å; V1343-D1347 HydrophobicContact CG1-CB 3.21Å; V1343-D1347 VanDerWaalsContact CG1-OD2 3.27Å; V1343-D1347 WeakPolarHBondContact CG1-OD2 3.33Å | ||
| 1344 | N | 64.5 | Low | 62 | Low | 102 Ų | 102 | 60.4 Ų | 60.4 | 55% | 0.545 | 31% | 0.308 | S | S | . | . | trans | -49.1 | 142.6 | 168.8 | -172.5 | -20.7 | 0 | 0 | 0 | 109.2 | Y1346 D1347 F1348 | N1344-Y1346 PolarHBondContact O-N 2.96Å; N1344-Y1346 PolarHBondContact OD1-N 3.35Å; N1344-D1347 PolarHBondContact O-N 3.01Å; N1344-F1348 PolarHBondContact O-N 2.83Å; N1344-F1348 VanDerWaalsContact O-N 3.14Å | ||
| 1345 | I | 69.5 | Low | 64.5 | Low | 28 Ų | 28 | 58.3 Ų | 58.3 | 14% | 0.144 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -47.6 | -40.3 | -179.9 | -62.9 | 177.3 | 0 | 0 | 0 | 110.6 | F1321 V1324 V1343 F1348 L1349 V1453 | F1321-I1345 HydrophobicContact CB-CD1 4.27Å; F1321-I1345 HydrophobicContact CD1-CD1 4.11Å; F1321-I1345 HydrophobicContact CD1-CG1 4.06Å; F1321-I1345 HydrophobicContact CD1-CG2 4.14Å; F1321-I1345 HydrophobicContact CE1-CG2 4.13Å; V1324-I1345 HydrophobicContact CB-CG1 4.5Å; V1324-I1345 HydrophobicContact CG1-CG1 3.99Å; V1343-I1345 PolarHBondContact O-N 3.48Å; I1345-F1348 PolarHBondContact O-N 3.27Å; I1345-L1349 HydrophobicContact CG2-CD1 4.15Å; I1345-L1349 HydrophobicContact CG2-CG 4.43Å; I1345-L1349 WeakPolarHBondContact O-CG 3.49Å; I1345-L1349 PolarHBondContact O-N 2.73Å; I1345-V1453 HydrophobicContact CG2-CG1 3.8Å |
| 1346 | Y | 73.4 | Confident | 67.2 | Low | 25 Ų | 25 | 51.3 Ų | 51.3 | 10% | 0.098 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -55.1 | -53.1 | 175.5 | 176.4 | -96.3 | 0 | 0 | 0 | 113.2 | N1344 F1348 L1349 H1350 F1458 L1491 L1495 | N1344-Y1346 PolarHBondContact O-N 2.96Å; N1344-Y1346 PolarHBondContact OD1-N 3.35Å; Y1346-F1348 VanDerWaalsContact C-N 3.32Å; Y1346-F1348 PolarHBondContact O-N 3.07Å; Y1346-L1349 PolarHBondContact O-N 2.97Å; Y1346-H1350 WeakPolarHBondContact O-CB 3.29Å; Y1346-H1350 PolarHBondContact O-N 3.04Å; Y1346-F1458 HydrophobicContact CD2-CE1 4.43Å; Y1346-L1491 HydrophobicContact CD1-CD2 4.47Å; Y1346-L1491 HydrophobicContact CD2-CB 4.31Å; Y1346-L1491 HydrophobicContact CE1-CD2 3.77Å; Y1346-L1491 HydrophobicContact CE2-CB 3.82Å; Y1346-L1491 HydrophobicContact CE2-CD2 4.29Å; Y1346-L1491 VanDerWaalsContact CE2-O 3.26Å; Y1346-L1491 WeakPolarHBondContact CE2-O 3.49Å; Y1346-L1495 HydrophobicContact CD2-CD2 4.36Å; Y1346-L1495 HydrophobicContact CE2-CB 3.96Å |
| 1347 | D | 76.3 | Confident | 69.8 | Low | 72 Ų | 72 | 45.1 Ų | 45.1 | 39% | 0.385 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -67.1 | -35.4 | -176.5 | -64.5 | -41.1 | 0 | 0 | 0 | 111.7 | V1343 N1344 H1350 E1351 | V1343-D1347 HydrophobicContact CB-CB 3.9Å; V1343-D1347 HydrophobicContact CG1-CB 3.21Å; V1343-D1347 VanDerWaalsContact CG1-OD2 3.27Å; V1343-D1347 WeakPolarHBondContact CG1-OD2 3.33Å; N1344-D1347 PolarHBondContact O-N 3.01Å; D1347-H1350 PolarHBondContact O-N 3.48Å; D1347-E1351 VanDerWaalsContact O-CB 3.29Å; D1347-E1351 WeakPolarHBondContact O-CB 3.36Å; D1347-E1351 PolarHBondContact O-N 2.92Å |
| 1348 | F | 80.9 | Confident | 72.2 | Confident | 9 Ų | 9 | 43.6 Ų | 43.6 | 4% | 0.039 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.2 | -46.7 | 173.4 | 172.9 | -96.7 | 0 | 0 | 0 | 111.5 | M1223 W1317 F1320 N1344 I1345 Y1346 E1351 L1352 | M1223-F1348 HydrophobicContact CE-CD2 4.5Å; M1223-F1348 HydrophobicContact CE-CE2 4.04Å; M1223-F1348 HydrophobicContact SD-CE2 3.84Å; M1223-F1348 HydrophobicContact SD-CZ 4.33Å; W1317-F1348 HydrophobicContact CH2-CZ 4.45Å; W1317-F1348 HydrophobicContact CZ3-CE1 4.05Å; W1317-F1348 HydrophobicContact CZ3-CZ 4.19Å; F1320-F1348 HydrophobicContact CE1-CD1 4.01Å; F1320-F1348 HydrophobicContact CE1-CD2 4.44Å; F1320-F1348 AromaticContact CE1-CE1 3.84Å; F1320-F1348 HydrophobicContact CE1-CE1 3.84Å; F1320-F1348 HydrophobicContact CE1-CE2 4.28Å; F1320-F1348 HydrophobicContact CE1-CG 4.3Å; F1320-F1348 AromaticContact CE1-CZ 3.99Å; F1320-F1348 HydrophobicContact CE1-CZ 3.99Å; F1320-F1348 HydrophobicContact CZ-CD2 4.18Å; F1320-F1348 HydrophobicContact CZ-CE1 4.48Å; F1320-F1348 HydrophobicContact CZ-CE2 4.13Å; F1320-F1348 HydrophobicContact CZ-CG 4.38Å; F1320-F1348 HydrophobicContact CZ-CZ 4.28Å; N1344-F1348 PolarHBondContact O-N 2.83Å; N1344-F1348 VanDerWaalsContact O-N 3.14Å; I1345-F1348 PolarHBondContact O-N 3.27Å; Y1346-F1348 VanDerWaalsContact C-N 3.32Å; Y1346-F1348 PolarHBondContact O-N 3.07Å; F1348-E1351 PolarHBondContact O-N 2.97Å; F1348-L1352 HydrophobicContact CE1-CD2 4.21Å; F1348-L1352 HydrophobicContact CZ-CD2 4.39Å; F1348-L1352 WeakPolarHBondContact O-CB 3.45Å; F1348-L1352 PolarHBondContact O-N 2.94Å |
| 1349 | L | 82.8 | Confident | 74.8 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.7 | -44.2 | 177.2 | -68.1 | 177.5 | 0 | 0 | 0 | 111 | I1345 Y1346 E1351 L1352 F1353 L1449 V1453 F1458 L1495 | I1345-L1349 HydrophobicContact CG2-CD1 4.15Å; I1345-L1349 HydrophobicContact CG2-CG 4.43Å; I1345-L1349 WeakPolarHBondContact O-CG 3.49Å; I1345-L1349 PolarHBondContact O-N 2.73Å; Y1346-L1349 PolarHBondContact O-N 2.97Å; L1349-E1351 PolarHBondContact O-N 3.18Å; L1349-L1352 PolarHBondContact O-N 3.21Å; L1349-F1353 HydrophobicContact CB-CD2 4.27Å; L1349-F1353 HydrophobicContact CB-CE2 4.23Å; L1349-F1353 HydrophobicContact CD2-CE2 4.18Å; L1349-F1353 WeakPolarHBondContact O-CD2 3.42Å; L1349-F1353 PolarHBondContact O-N 3.17Å; L1349-L1449 HydrophobicContact CD2-CD1 4.11Å; L1349-L1449 HydrophobicContact CD2-CD2 4.15Å; L1349-V1453 HydrophobicContact CD1-CG1 3.93Å; L1349-F1458 HydrophobicContact CD1-CE2 4.3Å; L1349-L1495 HydrophobicContact CB-CD1 3.96Å; L1349-L1495 HydrophobicContact CB-CD2 4.48Å; L1349-L1495 HydrophobicContact CD1-CD2 4Å |
| 1350 | H | 84.6 | Confident | 77.2 | Confident | 71 Ų | 71 | 32.9 Ų | 32.9 | 33% | 0.329 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -60.1 | -45 | 177.1 | -170 | -64.5 | 0 | 0 | 0 | 111.5 | Y1346 D1347 T1354 L1498 | Y1346-H1350 WeakPolarHBondContact O-CB 3.29Å; Y1346-H1350 PolarHBondContact O-N 3.04Å; D1347-H1350 PolarHBondContact O-N 3.48Å; H1350-T1354 PolarHBondContact ND1-OG1 3.21Å; H1350-T1354 VanDerWaalsContact O-CB 3.24Å; H1350-T1354 WeakPolarHBondContact O-CB 3.37Å; H1350-T1354 PolarHBondContact O-N 3.47Å; H1350-T1354 PolarHBondContact O-OG1 3.5Å; H1350-L1498 HydrophobicContact CB-CD2 4.47Å |
| 1351 | E | 86.3 | Confident | 79.6 | Confident | 40 Ų | 40 | 33.1 Ų | 33.1 | 19% | 0.187 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.1 | -44.6 | 175.3 | -171.7 | 176.9 | 173.4 | 0 | 0 | 111.1 | R1220 M1223 Q1224 D1347 F1348 L1349 L1355 | R1220-E1351 IonicContact CZ-OE2 4Å; R1220-E1351 IonicContact NE-OE2 2.89Å; R1220-E1351 PolarHBondContact NE-OE2 3.36Å; R1220-E1351 IonicContact NH2-OE2 3.45Å; R1220-E1351 PolarHBondContact NH2-OE2 3.22Å; R1220-E1351 VanDerWaalsContact NH2-OE2 3.16Å; M1223-E1351 HydrophobicContact CE-CG 4.23Å; Q1224-E1351 VanDerWaalsContact CG-OE1 3.29Å; Q1224-E1351 WeakPolarHBondContact CG-OE1 3.49Å; D1347-E1351 VanDerWaalsContact O-CB 3.29Å; D1347-E1351 WeakPolarHBondContact O-CB 3.36Å; D1347-E1351 PolarHBondContact O-N 2.92Å; F1348-E1351 PolarHBondContact O-N 2.97Å; L1349-E1351 PolarHBondContact O-N 3.18Å; E1351-L1355 VanDerWaalsContact O-CB 3.3Å; E1351-L1355 WeakPolarHBondContact O-CB 3.27Å; E1351-L1355 PolarHBondContact O-N 3.44Å |
| 1352 | L | 89.5 | Confident | 81.7 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67.1 | -49.1 | -178.6 | -174.9 | 65.5 | 0 | 0 | 0 | 113.2 | M1223 F1348 L1349 L1355 F1356 L1449 | M1223-L1352 HydrophobicContact CE-CB 3.79Å; M1223-L1352 HydrophobicContact CE-CD1 3.66Å; M1223-L1352 HydrophobicContact CE-CG 4.33Å; M1223-L1352 HydrophobicContact SD-CD1 4.02Å; F1348-L1352 HydrophobicContact CE1-CD2 4.21Å; F1348-L1352 HydrophobicContact CZ-CD2 4.39Å; F1348-L1352 WeakPolarHBondContact O-CB 3.45Å; F1348-L1352 PolarHBondContact O-N 2.94Å; L1349-L1352 PolarHBondContact O-N 3.21Å; L1352-L1355 WeakPolarHBondContact O-CB 3.38Å; L1352-L1355 PolarHBondContact O-N 2.95Å; L1352-F1356 HydrophobicContact CD1-CD1 4.43Å; L1352-F1356 HydrophobicContact CD1-CE1 3.72Å; L1352-F1356 HydrophobicContact CD1-CE2 4.3Å; L1352-F1356 HydrophobicContact CD1-CZ 3.65Å; L1352-F1356 HydrophobicContact CD2-CE2 4.36Å; L1352-F1356 HydrophobicContact CD2-CZ 4.29Å; L1352-F1356 HydrophobicContact CG-CE1 4.28Å; L1352-F1356 HydrophobicContact CG-CE2 4.02Å; L1352-F1356 HydrophobicContact CG-CZ 3.88Å; L1352-F1356 WeakPolarHBondContact O-CG 3.44Å; L1352-F1356 PolarHBondContact O-N 2.88Å; L1352-L1449 HydrophobicContact CD2-CD1 3.48Å; L1352-L1449 VanDerWaalsContact CD2-CD1 3.48Å |
| 1353 | F | 92.1 | Very high | 83.6 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -69.9 | -33.8 | 179.8 | -71.8 | -68.2 | 0 | 0 | 0 | 112.1 | L1349 L1355 F1356 S1357 I1446 I1454 L1495 L1498 I1499 C1502 | L1349-F1353 HydrophobicContact CB-CD2 4.27Å; L1349-F1353 HydrophobicContact CB-CE2 4.23Å; L1349-F1353 HydrophobicContact CD2-CE2 4.18Å; L1349-F1353 WeakPolarHBondContact O-CD2 3.42Å; L1349-F1353 PolarHBondContact O-N 3.17Å; F1353-L1355 VanDerWaalsContact C-N 3.3Å; F1353-L1355 PolarHBondContact O-N 2.86Å; F1353-F1356 HydrophobicContact CD1-CD2 4.32Å; F1353-F1356 PolarHBondContact O-N 3.46Å; F1353-S1357 PolarHBondContact O-N 2.83Å; F1353-S1357 PolarHBondContact O-OG 3.31Å; F1353-S1357 VanDerWaalsContact O-OG 3.13Å; F1353-I1446 HydrophobicContact CE1-CD1 4.37Å; F1353-I1446 HydrophobicContact CE1-CG1 3.92Å; F1353-I1446 HydrophobicContact CE1-CG2 4.17Å; F1353-I1454 HydrophobicContact CE2-CD1 4.35Å; F1353-I1454 HydrophobicContact CZ-CD1 4.24Å; F1353-L1495 HydrophobicContact CD2-CD1 4.25Å; F1353-L1498 HydrophobicContact CB-CD2 3.74Å; F1353-L1498 HydrophobicContact CB-CG 3.82Å; F1353-I1499 HydrophobicContact CD1-CG1 4.13Å; F1353-I1499 HydrophobicContact CD2-CD1 4.46Å; F1353-I1499 HydrophobicContact CD2-CG1 3.77Å; F1353-I1499 HydrophobicContact CE1-CG1 3.96Å; F1353-I1499 HydrophobicContact CE1-CG2 4.45Å; F1353-I1499 HydrophobicContact CE2-CD1 3.98Å; F1353-I1499 HydrophobicContact CE2-CG1 3.62Å; F1353-I1499 HydrophobicContact CG-CG1 4.06Å; F1353-I1499 HydrophobicContact CZ-CD1 4.2Å; F1353-I1499 HydrophobicContact CZ-CG1 3.73Å; F1353-C1502 HydrophobicContact CD1-CB 4.35Å |
| 1354 | T | 90 | Very high | 85.1 | Confident | 39 Ų | 39 | 25.5 Ų | 25.5 | 24% | 0.239 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.7 | -40.9 | 171.6 | -57.5 | 0 | 0 | 0 | 0 | 110.9 | H1350 L1358 | H1350-T1354 PolarHBondContact ND1-OG1 3.21Å; H1350-T1354 VanDerWaalsContact O-CB 3.24Å; H1350-T1354 WeakPolarHBondContact O-CB 3.37Å; H1350-T1354 PolarHBondContact O-N 3.47Å; H1350-T1354 PolarHBondContact O-OG1 3.5Å; T1354-L1358 HydrophobicContact CG2-CD1 4.39Å; T1354-L1358 WeakPolarHBondContact O-CG 3.47Å; T1354-L1358 PolarHBondContact O-N 3.22Å |
| 1355 | L | 92.2 | Very high | 86.1 | Confident | 2 Ų | 2 | 21.4 Ų | 21.4 | 1% | 0.01 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.9 | -46.3 | 175.8 | 179.7 | 64.6 | 0 | 0 | 0 | 111.5 | M1223 L1226 L1230 L1305 E1351 L1352 F1353 L1358 M1359 | M1223-L1355 HydrophobicContact CB-CD2 3.89Å; M1223-L1355 HydrophobicContact CG-CD2 3.88Å; L1226-L1355 HydrophobicContact CB-CD1 4.23Å; L1226-L1355 HydrophobicContact CD2-CD1 4.05Å; L1226-L1355 HydrophobicContact CD2-CD2 4.41Å; L1226-L1355 HydrophobicContact CG-CD1 3.92Å; L1230-L1355 HydrophobicContact CD1-CD1 3.53Å; L1305-L1355 HydrophobicContact CD2-CD2 3.8Å; E1351-L1355 VanDerWaalsContact O-CB 3.3Å; E1351-L1355 WeakPolarHBondContact O-CB 3.27Å; E1351-L1355 PolarHBondContact O-N 3.44Å; L1352-L1355 WeakPolarHBondContact O-CB 3.38Å; L1352-L1355 PolarHBondContact O-N 2.95Å; F1353-L1355 VanDerWaalsContact C-N 3.3Å; F1353-L1355 PolarHBondContact O-N 2.86Å; L1355-L1358 PolarHBondContact O-N 3.03Å; L1355-M1359 WeakPolarHBondContact O-CG 3.37Å; L1355-M1359 PolarHBondContact O-N 3.42Å |
| 1356 | F | 94.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59.4 | -49.4 | 176.5 | -70.3 | -9.6 | 0 | 0 | 0 | 112 | F1306 L1309 L1352 F1353 L1358 M1359 H1360 E1442 V1445 I1446 C1502 | F1306-F1356 HydrophobicContact CE1-CE1 4.31Å; F1306-F1356 HydrophobicContact CZ-CD1 4.34Å; F1306-F1356 AromaticContact CZ-CE1 3.83Å; F1306-F1356 HydrophobicContact CZ-CE1 3.83Å; F1306-F1356 HydrophobicContact CZ-CZ 4.44Å; L1309-F1356 HydrophobicContact CD1-CE1 4.47Å; L1309-F1356 HydrophobicContact CD1-CZ 4.28Å; L1352-F1356 HydrophobicContact CD1-CD1 4.43Å; L1352-F1356 HydrophobicContact CD1-CE1 3.72Å; L1352-F1356 HydrophobicContact CD1-CE2 4.3Å; L1352-F1356 HydrophobicContact CD1-CZ 3.65Å; L1352-F1356 HydrophobicContact CD2-CE2 4.36Å; L1352-F1356 HydrophobicContact CD2-CZ 4.29Å; L1352-F1356 HydrophobicContact CG-CE1 4.28Å; L1352-F1356 HydrophobicContact CG-CE2 4.02Å; L1352-F1356 HydrophobicContact CG-CZ 3.88Å; L1352-F1356 WeakPolarHBondContact O-CG 3.44Å; L1352-F1356 PolarHBondContact O-N 2.88Å; F1353-F1356 HydrophobicContact CD1-CD2 4.32Å; F1353-F1356 PolarHBondContact O-N 3.46Å; F1356-L1358 VanDerWaalsContact C-N 3.28Å; F1356-L1358 PolarHBondContact O-N 3.39Å; F1356-M1359 WeakPolarHBondContact O-CA 3.37Å; F1356-M1359 WeakPolarHBondContact O-CB 3.37Å; F1356-M1359 PolarHBondContact O-N 3.42Å; F1356-H1360 PolarHBondContact O-CD2 3.47Å; F1356-H1360 PolarHBondContact O-N 3.14Å; F1356-H1360 PolarHBondContact O-NE2 3.43Å; F1356-E1442 HydrophobicContact CD1-CG 4.22Å; F1356-E1442 HydrophobicContact CD2-CG 3.74Å; F1356-E1442 HydrophobicContact CE1-CG 4.24Å; F1356-E1442 HydrophobicContact CE2-CG 3.77Å; F1356-E1442 HydrophobicContact CG-CG 3.97Å; F1356-E1442 HydrophobicContact CZ-CG 4.02Å; F1356-V1445 HydrophobicContact CE2-CG1 4.49Å; F1356-V1445 HydrophobicContact CZ-CG1 4.33Å; F1356-I1446 HydrophobicContact CD2-CD1 4.04Å; F1356-I1446 HydrophobicContact CD2-CG1 4.1Å; F1356-I1446 HydrophobicContact CE2-CD1 4.3Å; F1356-I1446 HydrophobicContact CE2-CG1 3.9Å; F1356-C1502 VanDerWaalsContact CB-SG 3.59Å |
| 1357 | S | 92.3 | Very high | 86.8 | Confident | 26 Ų | 26 | 21.3 Ų | 21.3 | 18% | 0.182 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -56.3 | -40.4 | 175.7 | -63.1 | 0 | 0 | 0 | 0 | 112.7 | F1353 H1360 L1361 | F1353-S1357 PolarHBondContact O-N 2.83Å; F1353-S1357 PolarHBondContact O-OG 3.31Å; F1353-S1357 VanDerWaalsContact O-OG 3.13Å; S1357-H1360 PolarHBondContact O-N 3.47Å; S1357-L1361 PolarHBondContact O-N 3.02Å |
| 1358 | L | 89.6 | Confident | 86.2 | Confident | 14 Ų | 14 | 18.3 Ų | 18.3 | 7% | 0.073 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -68.6 | -33.2 | 174.9 | -74 | 172.5 | 0 | 0 | 0 | 112.9 | L1230 L1231 H1234 T1354 L1355 F1356 H1360 L1361 Y1362 | L1230-L1358 HydrophobicContact CB-CB 4.15Å; L1230-L1358 HydrophobicContact CB-CD1 4.13Å; L1230-L1358 HydrophobicContact CD1-CB 3.96Å; L1230-L1358 HydrophobicContact CD2-CB 4.47Å; L1230-L1358 HydrophobicContact CG-CB 4.44Å; L1231-L1358 HydrophobicContact CD2-CD1 4.04Å; L1231-L1358 HydrophobicContact CG-CD1 4.35Å; H1234-L1358 HydrophobicContact CB-CD2 4.37Å; T1354-L1358 HydrophobicContact CG2-CD1 4.39Å; T1354-L1358 WeakPolarHBondContact O-CG 3.47Å; T1354-L1358 PolarHBondContact O-N 3.22Å; L1355-L1358 PolarHBondContact O-N 3.03Å; F1356-L1358 VanDerWaalsContact C-N 3.28Å; F1356-L1358 PolarHBondContact O-N 3.39Å; L1358-H1360 VanDerWaalsContact C-N 3.32Å; L1358-L1361 PolarHBondContact O-N 3.45Å; L1358-Y1362 PolarHBondContact O-N 3.32Å |
| 1359 | M | 91.8 | Very high | 85 | Confident | 13 Ų | 13 | 25 Ų | 25 | 6% | 0.064 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -69.1 | -28.6 | 174.9 | -73.6 | -171.9 | 62.4 | 0 | 0 | 112.8 | L1226 L1230 S1302 L1305 F1306 L1355 F1356 Y1362 P1363 I1438 | L1226-M1359 HydrophobicContact CD2-CG 4.37Å; L1226-M1359 HydrophobicContact CD2-SD 3.72Å; L1230-M1359 HydrophobicContact CD1-CG 3.87Å; S1302-M1359 WeakPolarHBondContact OG-CE 3.29Å; L1305-M1359 HydrophobicContact CD2-SD 4.46Å; F1306-M1359 HydrophobicContact CD2-CE 4.42Å; F1306-M1359 HydrophobicContact CE2-CE 3.61Å; F1306-M1359 HydrophobicContact CE2-SD 3.96Å; F1306-M1359 HydrophobicContact CZ-CE 4.49Å; L1355-M1359 WeakPolarHBondContact O-CG 3.37Å; L1355-M1359 PolarHBondContact O-N 3.42Å; F1356-M1359 WeakPolarHBondContact O-CA 3.37Å; F1356-M1359 WeakPolarHBondContact O-CB 3.37Å; F1356-M1359 PolarHBondContact O-N 3.42Å; M1359-Y1362 CarbonylContact O-C 3.59Å; M1359-Y1362 VanDerWaalsContact O-C 3.31Å; M1359-P1363 VanDerWaalsContact O-CA 3.29Å; M1359-P1363 WeakPolarHBondContact O-CA 3.43Å; M1359-I1438 HydrophobicContact CE-CG2 4.42Å |
| 1360 | H | 91.8 | Very high | 83.4 | Confident | 7 Ų | 7 | 28 Ų | 28 | 3% | 0.032 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.5 | -40.8 | 174.7 | -56.5 | 167.9 | 0 | 0 | 0 | 111.3 | F1356 S1357 L1358 E1442 C1502 F1506 E1509 Q1510 | F1356-H1360 PolarHBondContact O-CD2 3.47Å; F1356-H1360 PolarHBondContact O-N 3.14Å; F1356-H1360 PolarHBondContact O-NE2 3.43Å; S1357-H1360 PolarHBondContact O-N 3.47Å; L1358-H1360 VanDerWaalsContact C-N 3.32Å; H1360-E1442 IonicContact CD2-OE1 2.55Å; H1360-E1442 IonicContact CD2-OE2 3.79Å; H1360-E1442 IonicContact CE1-OE1 2.61Å; H1360-E1442 PolarHBondContact CE1-OE1 3.16Å; H1360-E1442 IonicContact NE2-OE1 3.52Å; H1360-E1442 PolarHBondContact NE2-OE1 3.33Å; H1360-E1442 IonicContact NE2-OE2 2.65Å; H1360-E1442 PolarHBondContact NE2-OE2 3.44Å; H1360-C1502 PolarHBondContact CE1-O 3.49Å; H1360-C1502 PolarHBondContact ND1-O 3.01Å; H1360-F1506 PolarHBondContact CE1-N 2.85Å; H1360-F1506 PolarHBondContact ND1-N 3.23Å; H1360-F1506 VanDerWaalsContact ND1-N 3.1Å; H1360-F1506 AromaticContact NE2-CD2 4Å; H1360-E1509 HydrophobicContact CB-CB 4.45Å; H1360-Q1510 HydrophobicContact CB-CG 4.3Å; H1360-Q1510 PolarHBondContact CD2-NE2 3.21Å; H1360-Q1510 PolarHBondContact NE2-NE2 3.42Å |
| 1361 | L | 85 | Confident | 81.3 | Confident | 53 Ų | 53 | 31.7 Ų | 31.7 | 28% | 0.277 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -73.2 | -37.7 | 176.5 | -68.4 | 172.8 | 0 | 0 | 0 | 113.1 | S1357 L1358 E1509 | S1357-L1361 PolarHBondContact O-N 3.02Å; L1358-L1361 PolarHBondContact O-N 3.45Å; L1361-E1509 WeakPolarHBondContact CD2-OE2 2.94Å; L1361-E1509 WeakPolarHBondContact CG-OE2 3.37Å |
| 1362 | Y | 87.9 | Confident | 78.8 | Confident | 11 Ų | 11 | 33 Ų | 33 | 4% | 0.043 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -129.9 | 76.3 | -175 | -53.3 | -61 | 0 | 0 | 0 | 110.1 | L1230 I1233 H1234 N1237 Y1291 M1298 L1358 M1359 G1364 | L1230-Y1362 HydrophobicContact CD2-CD2 4.18Å; L1230-Y1362 HydrophobicContact CD2-CG 4.38Å; I1233-Y1362 HydrophobicContact CG2-CD1 4.06Å; I1233-Y1362 HydrophobicContact CG2-CD2 4.47Å; I1233-Y1362 HydrophobicContact CG2-CE1 4.09Å; I1233-Y1362 HydrophobicContact CG2-CE2 4.48Å; I1233-Y1362 HydrophobicContact CG2-CG 4.25Å; H1234-Y1362 HydrophobicContact CB-CE2 3.93Å; H1234-Y1362 AromaticContact ND1-CE2 3.72Å; N1237-Y1362 WeakPolarHBondContact ND2-CE1 3.49Å; N1237-Y1362 PolarHBondContact ND2-OH 2.97Å; N1237-Y1362 VanDerWaalsContact ND2-OH 3.08Å; Y1291-Y1362 HydrophobicContact CD2-CD1 4.22Å; Y1291-Y1362 HydrophobicContact CE2-CD1 4.35Å; M1298-Y1362 WeakPolarHBondContact CE-O 3.3Å; L1358-Y1362 PolarHBondContact O-N 3.32Å; M1359-Y1362 CarbonylContact O-C 3.59Å; M1359-Y1362 VanDerWaalsContact O-C 3.31Å; Y1362-G1364 PolarHBondContact O-N 3.41Å |
| 1363 | P | 86.7 | Confident | 76.2 | Confident | 20 Ų | 20 | 41.2 Ų | 41.2 | 13% | 0.13 | 21% | 0.21 | C | C | . | . | trans | -62 | 139.6 | -177.1 | 24.6 | -33.3 | 0 | 0 | 0 | 110.3 | Y1291 M1359 Y1365 A1367 L1435 | Y1291-P1363 PolarHBondContact OH-O 3.46Å; M1359-P1363 VanDerWaalsContact O-CA 3.29Å; M1359-P1363 WeakPolarHBondContact O-CA 3.43Å; P1363-Y1365 WeakPolarHBondContact CB-O 3.47Å; P1363-Y1365 PolarHBondContact O-N 2.97Å; P1363-Y1365 VanDerWaalsContact O-N 3.17Å; P1363-A1367 HydrophobicContact CG-CB 4.02Å; P1363-L1435 HydrophobicContact CB-CD2 3.87Å | ||
| 1364 | G | 84.6 | Confident | 73.5 | Confident | 3 Ų | 3 | 42.7 Ų | 42.7 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -64.5 | -15.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q1295 G1299 Y1362 | Q1295-G1364 VanDerWaalsContact O-O 3.09Å; G1299-G1364 WeakPolarHBondContact CA-O 3.47Å; G1299-G1364 PolarHBondContact N-O 3.38Å; Y1362-G1364 PolarHBondContact O-N 3.41Å |
| 1365 | Y | 86.5 | Confident | 70.5 | Confident | 16 Ų | 16 | 43 Ų | 43 | 6% | 0.063 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -125.5 | 155 | 174.4 | -66.8 | -74.2 | 0 | 0 | 0 | 111 | H168 G1299 T1303 P1363 A1367 W1431 M1434 I1438 | H168-Y1365 AromaticContact ND1-CE1 3.94Å; H168-Y1365 AromaticContact ND1-CZ 3.78Å; H168-Y1365 PolarHBondContact ND1-OH 2.84Å; G1299-Y1365 PolarHBondContact O-OH 3.06Å; G1299-Y1365 VanDerWaalsContact O-OH 3.04Å; T1303-Y1365 PolarHBondContact OG1-OH 3.48Å; P1363-Y1365 WeakPolarHBondContact CB-O 3.47Å; P1363-Y1365 PolarHBondContact O-N 2.97Å; P1363-Y1365 VanDerWaalsContact O-N 3.17Å; Y1365-A1367 PolarHBondContact O-N 2.07Å; Y1365-W1431 AromaticContact CD1-CE3 3.56Å; Y1365-W1431 HydrophobicContact CD1-CE3 3.56Å; Y1365-W1431 AromaticContact CD1-CZ3 3.84Å; Y1365-W1431 HydrophobicContact CD1-CZ3 3.84Å; Y1365-W1431 AromaticContact CE1-CE3 3.72Å; Y1365-W1431 HydrophobicContact CE1-CE3 3.72Å; Y1365-W1431 AromaticContact CE1-CZ3 3.47Å; Y1365-W1431 HydrophobicContact CE1-CZ3 3.47Å; Y1365-W1431 VanDerWaalsContact CE1-CZ3 3.47Å; Y1365-W1431 HydrophobicContact CE2-CZ3 4.45Å; Y1365-W1431 HydrophobicContact CG-CE3 4.06Å; Y1365-W1431 HydrophobicContact CG-CZ3 4.45Å; Y1365-W1431 AromaticContact CZ-CZ3 3.79Å; Y1365-M1434 HydrophobicContact CD2-CB 4.45Å; Y1365-M1434 HydrophobicContact CD2-CG 3.63Å; Y1365-M1434 HydrophobicContact CE2-CE 3.75Å; Y1365-M1434 HydrophobicContact CE2-CG 3.49Å; Y1365-M1434 VanDerWaalsContact CE2-CG 3.49Å; Y1365-M1434 HydrophobicContact CG-CG 4.3Å; Y1365-I1438 HydrophobicContact CD2-CD1 3.91Å; Y1365-I1438 HydrophobicContact CE2-CD1 3.91Å |
| 1366 | P | 78.4 | Confident | 67.6 | Low | 24 Ų | 24 | 51.4 Ų | 51.4 | 16% | 0.156 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 121.1 | 179.5 | -20.1 | 30.6 | 0 | 0 | 0 | 111.2 | S1430 W1431 L1435 | P1366-S1430 CarbonylContact O-C 2.82Å; P1366-S1430 VanDerWaalsContact O-CA 3.22Å; P1366-S1430 WeakPolarHBondContact O-CA 3.37Å; P1366-W1431 PolarHBondContact O-N 2.88Å; P1366-L1435 WeakPolarHBondContact O-CD1 3.13Å |
| 1367 | A | 77.8 | Confident | 64.4 | Low | 27 Ų | 27 | 54.5 Ų | 54.5 | 22% | 0.223 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -84.3 | 153.6 | 173 | 0 | 0 | 0 | 0 | 0 | 110.8 | P1363 Y1365 M1369 L1435 | P1363-A1367 HydrophobicContact CG-CB 4.02Å; Y1365-A1367 PolarHBondContact O-N 2.07Å; A1367-M1369 PolarHBondContact O-N 3.5Å; A1367-L1435 HydrophobicContact CB-CD1 3.96Å |
| 1368 | P | 65.4 | Low | 61.1 | Low | 10 Ų | 10 | 58.4 Ų | 58.4 | 7% | 0.065 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 122.7 | 175.2 | 23.4 | -31.1 | 0 | 0 | 0 | 110.4 | F1370 S1430 I1432 A1511 H1512 | P1368-F1370 HydrophobicContact CB-CD2 4.15Å; P1368-F1370 HydrophobicContact CB-CE1 4.29Å; P1368-F1370 HydrophobicContact CB-CE2 3.6Å; P1368-F1370 HydrophobicContact CB-CZ 3.67Å; P1368-F1370 HydrophobicContact CG-CD2 4.11Å; P1368-F1370 HydrophobicContact CG-CE2 3.4Å; P1368-F1370 HydrophobicContact CG-CZ 3.85Å; P1368-F1370 PolarHBondContact O-N 3.12Å; P1368-S1430 VanDerWaalsContact CA-CB 3.46Å; P1368-I1432 HydrophobicContact CB-CD1 4.14Å; P1368-I1432 HydrophobicContact CB-CG1 4.42Å; P1368-I1432 HydrophobicContact CG-CD1 4.04Å; P1368-I1432 HydrophobicContact CG-CG1 4.03Å; P1368-A1511 HydrophobicContact CG-CB 4.45Å; P1368-H1512 HydrophobicContact CG-CB 4.08Å |
| 1369 | M | 53.7 | Low | 58.2 | Low | 150 Ų | 150 | 63.8 Ų | 63.8 | 74% | 0.739 | 32% | 0.318 | S | S | * | . | trans | -74.1 | 81 | 170.4 | -73.1 | -168.5 | 164.5 | 0 | 0 | 109 | A1367 | A1367-M1369 PolarHBondContact O-N 3.5Š| ||
| 1370 | F | 51.3 | Low | 55.1 | Low | 61 Ų | 61 | 66.6 Ų | 66.6 | 27% | 0.268 | 34% | 0.336 | S | S | . | . | trans | -70.3 | 131.6 | 160.4 | -60 | -59.7 | 0 | 0 | 0 | 106.9 | P1368 S1372 A1511 V1517 V1518 | P1368-F1370 HydrophobicContact CB-CD2 4.15Å; P1368-F1370 HydrophobicContact CB-CE1 4.29Å; P1368-F1370 HydrophobicContact CB-CE2 3.6Å; P1368-F1370 HydrophobicContact CB-CZ 3.67Å; P1368-F1370 HydrophobicContact CG-CD2 4.11Å; P1368-F1370 HydrophobicContact CG-CE2 3.4Å; P1368-F1370 HydrophobicContact CG-CZ 3.85Å; P1368-F1370 PolarHBondContact O-N 3.12Å; F1370-S1372 PolarHBondContact O-N 3.07Å; F1370-A1511 HydrophobicContact CD2-CB 4.13Å; F1370-A1511 VanDerWaalsContact CE2-O 3.28Å; F1370-A1511 WeakPolarHBondContact CE2-O 3.34Å; F1370-V1517 HydrophobicContact CD1-CB 4.1Å; F1370-V1517 HydrophobicContact CD1-CG1 3.46Å; F1370-V1517 VanDerWaalsContact CD1-CG1 3.46Å; F1370-V1517 HydrophobicContact CE1-CB 3.95Å; F1370-V1517 HydrophobicContact CE1-CG1 3.66Å; F1370-V1517 HydrophobicContact CG-CB 4.49Å; F1370-V1517 HydrophobicContact CG-CG1 4.06Å; F1370-V1517 HydrophobicContact CZ-CB 4.19Å; F1370-V1517 HydrophobicContact CZ-CG1 4.38Å; F1370-V1518 HydrophobicContact CE2-CG2 4.42Å; F1370-V1518 HydrophobicContact CZ-CG2 3.81Å | ||
| 1371 | Q | 38.6 | Very low | 51.9 | Low | 150 Ų | 150 | 69.4 Ų | 69.4 | 70% | 0.701 | 37% | 0.366 | S | S | * | . | trans | -55.8 | 99.3 | 154.1 | -79.7 | 173.9 | -10.4 | 0 | 0 | 104.1 | R1373 D1375 | Q1371-R1373 PolarHBondContact O-N 2.9Å; Q1371-D1375 HydrophobicContact CB-CB 4.47Å | ||
| 1372 | S | 34.6 | Very low | 48.9 | Very low | 66 Ų | 66 | 78.4 Ų | 78.4 | 46% | 0.462 | 40% | 0.397 | S | S | . | . | trans | -44.6 | 141.5 | 176.6 | 179 | 0 | 0 | 0 | 0 | 106.4 | F1370 S1374 D1375 | F1370-S1372 PolarHBondContact O-N 3.07Å; S1372-S1374 WeakPolarHBondContact CB-OG 3.48Å; S1372-S1374 CarbonylContact O-C 3.57Å; S1372-S1374 PolarHBondContact O-N 2.94Å; S1372-S1374 VanDerWaalsContact OG-CB 3.27Å; S1372-S1374 WeakPolarHBondContact OG-CB 3.38Å; S1372-S1374 PolarHBondContact OG-OG 3.21Å; S1372-D1375 WeakPolarHBondContact O-CB 3.21Å; S1372-D1375 PolarHBondContact O-N 3.39Å | ||
| 1373 | R | 35.5 | Very low | 45.9 | Very low | 173 Ų | 173 | 88.2 Ų | 88.2 | 65% | 0.653 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -47.2 | -28.2 | 173.6 | -85.1 | -179.2 | 167.5 | -163.8 | -5.5 | 111.4 | Q1371 D1375 | Q1371-R1373 PolarHBondContact O-N 2.9Å; R1373-D1375 VanDerWaalsContact C-N 3.34Å; R1373-D1375 PolarHBondContact O-N 3.45Å |
| 1374 | S | 34.3 | Very low | 43.1 | Very low | 31 Ų | 31 | 90.5 Ų | 90.5 | 22% | 0.217 | 45% | 0.452 | C | S | . | . | G | 310 helix | trans | -58 | -34.3 | 172.3 | 94.2 | 0 | 0 | 0 | 0 | 114.2 | S1372 K1376 L1377 W1378 | S1372-S1374 WeakPolarHBondContact CB-OG 3.48Å; S1372-S1374 CarbonylContact O-C 3.57Å; S1372-S1374 PolarHBondContact O-N 2.94Å; S1372-S1374 VanDerWaalsContact OG-CB 3.27Å; S1372-S1374 WeakPolarHBondContact OG-CB 3.38Å; S1372-S1374 PolarHBondContact OG-OG 3.21Å; S1374-K1376 PolarHBondContact O-N 3.47Å; S1374-L1377 CarbonylContact O-C 3.55Å; S1374-L1377 WeakPolarHBondContact O-CA 3.48Å; S1374-L1377 PolarHBondContact O-N 2.92Å; S1374-W1378 VanDerWaalsContact C-CD1 3.44Å; S1374-W1378 VanDerWaalsContact CB-NE1 3.33Å; S1374-W1378 PolarHBondContact O-N 3.44Å |
| 1375 | D | 27.9 | Very low | 40.2 | Very low | 45 Ų | 45 | 97.1 Ų | 97.1 | 24% | 0.241 | 48% | 0.476 | C | S | . | . | G | 310 helix | trans | -78.8 | -19.2 | -171.4 | -126 | 19.4 | 0 | 0 | 0 | 114.6 | K1284 Q1371 S1372 R1373 L1377 | K1284-D1375 WeakPolarHBondContact CD-OD1 3.1Å; K1284-D1375 VanDerWaalsContact CE-CG 3.49Å; K1284-D1375 WeakPolarHBondContact CE-OD1 3.43Å; K1284-D1375 WeakPolarHBondContact CE-OD2 3.47Å; K1284-D1375 IonicContact NZ-OD1 3.94Å; K1284-D1375 PolarHBondContact NZ-OD1 3.05Å; K1284-D1375 IonicContact NZ-OD2 3.96Å; K1284-D1375 PolarHBondContact NZ-OD2 3.43Å; Q1371-D1375 HydrophobicContact CB-CB 4.47Å; S1372-D1375 WeakPolarHBondContact O-CB 3.21Å; S1372-D1375 PolarHBondContact O-N 3.39Å; R1373-D1375 VanDerWaalsContact C-N 3.34Å; R1373-D1375 PolarHBondContact O-N 3.45Å; D1375-L1377 PolarHBondContact O-N 2.91Å |
| 1376 | K | 30.4 | Very low | 37.2 | Very low | 180 Ų | 180 | 99.8 Ų | 99.8 | 78% | 0.783 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | -74.6 | -8.8 | 163.7 | -82.9 | -173.6 | 177 | -179.7 | 0 | 112.6 | S1374 | S1374-K1376 PolarHBondContact O-N 3.47Š|
| 1377 | L | 28.1 | Very low | 34.7 | Very low | 64 Ų | 64 | 105.9 Ų | 105.9 | 34% | 0.335 | 52% | 0.522 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.3 | -35.1 | -177.7 | -135.7 | 72.2 | 0 | 0 | 0 | 114 | S1374 D1375 T1379 V1380 | S1374-L1377 CarbonylContact O-C 3.55Å; S1374-L1377 WeakPolarHBondContact O-CA 3.48Å; S1374-L1377 PolarHBondContact O-N 2.92Å; D1375-L1377 PolarHBondContact O-N 2.91Å; L1377-T1379 VanDerWaalsContact C-N 3.26Å; L1377-T1379 PolarHBondContact O-N 3.14Å; L1377-V1380 VanDerWaalsContact O-CB 3.24Å; L1377-V1380 WeakPolarHBondContact O-CB 3.41Å; L1377-V1380 WeakPolarHBondContact O-CG2 3.09Å; L1377-V1380 PolarHBondContact O-N 3.48Å |
| 1378 | W | 23.8 | Very low | 32.1 | Very low | 108 Ų | 108 | 111.8 Ų | 111.8 | 41% | 0.409 | 55% | 0.55 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.4 | 3.6 | -175.8 | -70.7 | 111.9 | 0 | 0 | 0 | 115.7 | S1374 V1380 | S1374-W1378 VanDerWaalsContact C-CD1 3.44Å; S1374-W1378 VanDerWaalsContact CB-NE1 3.33Å; S1374-W1378 PolarHBondContact O-N 3.44Å; W1378-V1380 PolarHBondContact O-N 3.2Å |
| 1379 | T | 28.4 | Very low | 30.2 | Very low | 127 Ų | 127 | 120.3 Ų | 120.3 | 78% | 0.779 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | -9.4 | 156 | 39.5 | 0 | 0 | 0 | 0 | 112.1 | L1377 | L1377-T1379 VanDerWaalsContact C-N 3.26Å; L1377-T1379 PolarHBondContact O-N 3.14Å |
| 1380 | V | 27.5 | Very low | 28.9 | Very low | 73 Ų | 73 | 121.7 Ų | 121.7 | 44% | 0.442 | 59% | 0.587 | S | S | . | * | S | Bend | trans | -98.9 | 110.8 | 173.4 | -172.5 | 0 | 0 | 0 | 0 | 109.2 | L1377 W1378 | L1377-V1380 VanDerWaalsContact O-CB 3.24Å; L1377-V1380 WeakPolarHBondContact O-CB 3.41Å; L1377-V1380 WeakPolarHBondContact O-CG2 3.09Å; L1377-V1380 PolarHBondContact O-N 3.48Å; W1378-V1380 PolarHBondContact O-N 3.2Å |
| 1381 | G | 24.2 | Very low | 27.7 | Very low | 66 Ų | 66 | 126.4 Ų | 126.4 | 68% | 0.68 | 62% | 0.615 | S | S | * | * | trans | 140.7 | 9.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | Y1383 | G1381-Y1383 PolarHBondContact O-N 3.24Š| ||
| 1382 | R | 21.3 | Very low | 26.9 | Very low | 241 Ų | 241 | 127.4 Ų | 127.4 | 91% | 0.909 | 62% | 0.619 | S | S | * | * | trans | -85.8 | 96.6 | 167.6 | -76.6 | -158.8 | -163.2 | -162.6 | 6.4 | 111.3 | ||||
| 1383 | Y | 25.7 | Very low | 26.3 | Very low | 218 Ų | 218 | 135.2 Ų | 135.2 | 86% | 0.855 | 64% | 0.639 | S | S | * | * | trans | -133.3 | 108.1 | 148.6 | -61.8 | -77.7 | 0 | 0 | 0 | 107.2 | G1381 | G1381-Y1383 PolarHBondContact O-N 3.24Š| ||
| 1384 | S | 26.2 | Very low | 25.8 | Very low | 68 Ų | 68 | 135.3 Ų | 135.3 | 48% | 0.476 | 65% | 0.647 | S | S | . | * | trans | -115.1 | 119.6 | 169 | -158.7 | 0 | 0 | 0 | 0 | 104.3 | L2361 | S1384-L2361 WeakPolarHBondContact CB-O 3.25Å; S1384-L2361 WeakPolarHBondContact O-CA 3.2Å; S1384-L2361 WeakPolarHBondContact O-CB 3.38Å; S1384-L2361 PolarHBondContact OG-O 3.06Å | ||
| 1385 | W | 25.3 | Very low | 25.4 | Very low | 141 Ų | 141 | 137.6 Ų | 137.6 | 53% | 0.534 | 66% | 0.662 | S | S | . | * | 76.5 | 96 | 74.8 | -58.9 | 110.9 | 0 | 0 | 0 | 118.7 | R1710 L2361 | W1385-R1710 HydrophobicContact CH2-CG 4.28Å; W1385-L2361 CarbonylContact O-C 3.54Å; W1385-L2361 WeakPolarHBondContact O-CA 3.45Å; W1385-L2361 WeakPolarHBondContact O-CB 3.47Å; W1385-L2361 WeakPolarHBondContact O-CD2 3.41Å | |||
| 1386 | D | 22.7 | Very low | 25.2 | Very low | 73 Ų | 73 | 138.1 Ų | 138.1 | 39% | 0.39 | 66% | 0.664 | S | S | . | * | trans | 147.7 | 80.5 | 165.3 | -37 | -46.1 | 0 | 0 | 0 | 111.8 | D1388 L2361 P2362 | D1386-D1388 PolarHBondContact O-N 3.12Å; D1386-L2361 HydrophobicContact CB-CD1 4.48Å; D1386-L2361 HydrophobicContact CB-CD2 3.09Å; D1386-L2361 HydrophobicContact CB-CG 4.17Å; D1386-L2361 WeakPolarHBondContact O-CD1 3.33Å; D1386-L2361 WeakPolarHBondContact O-CD2 3.49Å; D1386-P2362 VanDerWaalsContact OD1-O 3.13Å; D1386-P2362 WeakPolarHBondContact OD2-CA 3.33Å; D1386-P2362 WeakPolarHBondContact OD2-CB 3.43Å; D1386-P2362 WeakPolarHBondContact OD2-CD 3.3Å | ||
| 1387 | D | 25.1 | Very low | 25.1 | Very low | 151 Ų | 151 | 136.5 Ų | 136.5 | 81% | 0.807 | 66% | 0.659 | S | S | * | * | trans | -78.6 | 109.6 | 155.3 | -81.7 | -43.5 | 0 | 0 | 0 | 106.7 | Y1389 | D1387-Y1389 PolarHBondContact O-N 3.28Š| ||
| 1388 | D | 25 | Very low | 25 | Very low | 152 Ų | 152 | 137.7 Ų | 137.7 | 81% | 0.813 | 67% | 0.672 | S | S | * | * | trans | -76 | 109.8 | 164.3 | -108.2 | -21.1 | 0 | 0 | 0 | 108.5 | D1386 | D1386-D1388 PolarHBondContact O-N 3.12Š| ||
| 1389 | Y | 25.4 | Very low | 25.2 | Very low | 188 Ų | 188 | 138.4 Ų | 138.4 | 74% | 0.737 | 68% | 0.684 | S | S | * | * | trans | -80.9 | 113.4 | 165.9 | -100.7 | -95.9 | 0 | 0 | 0 | 109 | D1387 D1391 | D1387-Y1389 PolarHBondContact O-N 3.28Å; Y1389-D1391 PolarHBondContact O-N 3.15Å | ||
| 1390 | H | 25.2 | Very low | 25.1 | Very low | 179 Ų | 179 | 140.2 Ų | 140.2 | 83% | 0.829 | 68% | 0.681 | S | S | * | * | trans | -71 | 115.3 | 168.1 | -80.8 | -70.7 | 0 | 0 | 0 | 110.4 | ||||
| 1391 | D | 25.6 | Very low | 25 | Very low | 161 Ų | 161 | 145.8 Ų | 145.8 | 86% | 0.861 | 70% | 0.699 | S | S | * | * | trans | -102.1 | 110.2 | 160.3 | -140.5 | -4.6 | 0 | 0 | 0 | 108.1 | Y1389 | Y1389-D1391 PolarHBondContact O-N 3.15Š| ||
| 1392 | E | 23.3 | Very low | 24.9 | Very low | 170 Ų | 170 | 151.4 Ų | 151.4 | 79% | 0.794 | 71% | 0.705 | S | S | * | * | trans | -70.5 | 127.2 | 173.5 | -63.9 | -178.2 | 147.3 | 0 | 0 | 109.3 | ||||
| 1393 | R | 22.3 | Very low | 25.2 | Very low | 231 Ų | 231 | 147.3 Ų | 147.3 | 87% | 0.872 | 70% | 0.7 | S | S | * | * | trans | 177.2 | 138.7 | 139.9 | -98.1 | 153.5 | -162.6 | -140.1 | 6.4 | 114.5 | ||||
| 1394 | Q | 24.9 | Very low | 24.9 | Very low | 175 Ų | 175 | 140.6 Ų | 140.6 | 82% | 0.818 | 69% | 0.685 | S | S | * | * | trans | 82.8 | 99.4 | 156.8 | -64.9 | 173.8 | 19.1 | 0 | 0 | 117.4 | ||||
| 1395 | S | 25.9 | Very low | 24.8 | Very low | 78 Ų | 78 | 145.8 Ų | 145.8 | 55% | 0.545 | 70% | 0.701 | S | S | . | * | 86.5 | 103.4 | 66.4 | 71.1 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1396 | E | 22.3 | Very low | 24.7 | Very low | 57 Ų | 57 | 151 Ų | 151 | 27% | 0.266 | 72% | 0.72 | S | S | . | * | trans | 48.5 | 117 | 136.6 | -63.1 | 171.5 | -138.4 | 0 | 0 | 121 | F2240 N2241 I2242 | E1396-F2240 HydrophobicContact CG-CB 3.96Å; E1396-F2240 VanDerWaalsContact OE1-C 3.22Å; E1396-F2240 WeakPolarHBondContact OE1-CB 3.1Å; E1396-F2240 VanDerWaalsContact OE1-CD1 3.24Å; E1396-F2240 WeakPolarHBondContact OE1-CD1 3.38Å; E1396-N2241 WeakPolarHBondContact OE1-CA 3.47Å; E1396-N2241 PolarHBondContact OE1-N 3.46Å; E1396-N2241 WeakPolarHBondContact OE2-CA 3.26Å; E1396-I2242 HydrophobicContact CB-CD1 3.4Å; E1396-I2242 HydrophobicContact CB-CG1 3.89Å; E1396-I2242 HydrophobicContact CG-CD1 4.45Å; E1396-I2242 HydrophobicContact CG-CG1 4.48Å; E1396-I2242 VanDerWaalsContact O-CD1 3.22Å; E1396-I2242 WeakPolarHBondContact O-CD1 3.21Å; E1396-I2242 VanDerWaalsContact OE2-CB 3.28Å; E1396-I2242 WeakPolarHBondContact OE2-CB 3.35Å; E1396-I2242 WeakPolarHBondContact OE2-CG1 3.32Å; E1396-I2242 PolarHBondContact OE2-N 3.2Å | ||
| 1397 | H | 29.5 | Very low | 24.7 | Very low | 146 Ų | 146 | 155.2 Ų | 155.2 | 68% | 0.676 | 74% | 0.743 | S | S | * | * | -177.5 | 149.3 | 106.2 | -100.2 | -34.8 | 0 | 0 | 0 | 113.9 | I2242 | H1397-I2242 WeakPolarHBondContact CD2-CD1 3.45Å; H1397-I2242 WeakPolarHBondContact NE2-CD1 3.31Å | |||
| 1398 | S | 26.2 | Very low | 24.7 | Very low | 89 Ų | 89 | 153.7 Ų | 153.7 | 62% | 0.622 | 74% | 0.744 | S | S | * | * | trans | -89.2 | 149.8 | -168.7 | 48.7 | 0 | 0 | 0 | 0 | 115 | ||||
| 1399 | D | 26.9 | Very low | 24.7 | Very low | 122 Ų | 122 | 151.2 Ų | 151.2 | 65% | 0.652 | 74% | 0.738 | S | S | * | * | 169.3 | 122.8 | 107.2 | -100.4 | -29.4 | 0 | 0 | 0 | 115.2 | |||||
| 1400 | K | 26.5 | Very low | 24.8 | Very low | 166 Ų | 166 | 150.6 Ų | 150.6 | 72% | 0.722 | 75% | 0.747 | S | S | * | * | trans | 39.7 | 122.8 | 134.4 | -57.7 | -177.3 | -171.4 | 87.6 | 0 | 122.2 | ||||
| 1401 | K | 26.8 | Very low | 24.8 | Very low | 189 Ų | 189 | 147.1 Ų | 147.1 | 82% | 0.822 | 74% | 0.739 | S | S | * | * | 152.5 | 112.8 | 115.4 | -89.9 | 175.1 | -177.2 | 171.4 | 0 | 110.5 | |||||
| 1402 | K | 22 | Very low | 24.8 | Very low | 185 Ų | 185 | 147.3 Ų | 147.3 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | 85.5 | 120.5 | 92.9 | -111.5 | -174.1 | -172.3 | -173.6 | 0 | 114.6 | |||||
| 1403 | I | 25.7 | Very low | 24.9 | Very low | 155 Ų | 155 | 145.5 Ų | 145.5 | 80% | 0.795 | 73% | 0.73 | S | S | * | * | trans | 120.7 | 130.4 | 141.8 | -61.9 | 157.9 | 0 | 0 | 0 | 116.4 | ||||
| 1404 | S | 21 | Very low | 25.1 | Very low | 77 Ų | 77 | 142 Ų | 142 | 54% | 0.538 | 73% | 0.728 | S | S | . | * | trans | -61 | 149.1 | -175.7 | 47.9 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1405 | H | 23.1 | Very low | 25.3 | Very low | 177 Ų | 177 | 140.3 Ų | 140.3 | 82% | 0.819 | 73% | 0.725 | S | S | * | * | 143.6 | 103.3 | 121.7 | -78.4 | -67.5 | 0 | 0 | 0 | 111.3 | |||||
| 1406 | R | 23.8 | Very low | 25.4 | Very low | 250 Ų | 250 | 141.9 Ų | 141.9 | 94% | 0.943 | 73% | 0.727 | S | S | * | * | -177.7 | 128.7 | 121.4 | -118.1 | 174.5 | 169.4 | 167.2 | -4.1 | 112.1 | |||||
| 1407 | N | 23.4 | Very low | 25.7 | Very low | 162 Ų | 162 | 146 Ų | 146 | 87% | 0.866 | 75% | 0.751 | S | S | * | * | trans | -73.6 | 127.4 | 175.5 | -62.3 | -23.6 | 0 | 0 | 0 | 111 | ||||
| 1408 | S | 25 | Very low | 25.8 | Very low | 118 Ų | 118 | 146.8 Ų | 146.8 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | trans | -160.1 | 71.7 | 144.1 | 50.5 | 0 | 0 | 0 | 0 | 107.1 | L1410 | S1408-L1410 PolarHBondContact O-N 3.25Š| ||
| 1409 | S | 24.1 | Very low | 25.9 | Very low | 100 Ų | 100 | 148 Ų | 148 | 70% | 0.699 | 76% | 0.76 | S | S | * | * | trans | -80.5 | 94.8 | 177.6 | 51.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1410 | L | 27.6 | Very low | 26 | Very low | 175 Ų | 175 | 146.1 Ų | 146.1 | 92% | 0.916 | 76% | 0.756 | S | S | * | * | trans | -72.8 | 103.4 | 145.4 | -83 | 142.2 | 0 | 0 | 0 | 107.1 | S1408 | S1408-L1410 PolarHBondContact O-N 3.25Š| ||
| 1411 | T | 24.2 | Very low | 26.2 | Very low | 106 Ų | 106 | 144.6 Ų | 144.6 | 65% | 0.65 | 76% | 0.756 | S | S | * | * | trans | -153.5 | 136.8 | 169.3 | 50.5 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 1412 | H | 25.6 | Very low | 26.3 | Very low | 165 Ų | 165 | 140.5 Ų | 140.5 | 76% | 0.764 | 74% | 0.743 | S | S | * | * | cis | -167.3 | 153.5 | 16.3 | -135.6 | -67.5 | 0 | 0 | 0 | 108 | ||||
| 1413 | N | 27.1 | Very low | 26.6 | Very low | 132 Ų | 132 | 137.8 Ų | 137.8 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | trans | -8.2 | 134.1 | 154 | -74.8 | -19 | 0 | 0 | 0 | 117.7 | ||||
| 1414 | N | 25.4 | Very low | 26.9 | Very low | 158 Ų | 158 | 134.4 Ų | 134.4 | 85% | 0.845 | 72% | 0.724 | S | S | * | * | -151.3 | 134.7 | 125 | -119.3 | -12.1 | 0 | 0 | 0 | 112 | |||||
| 1415 | N | 29.9 | Very low | 27.5 | Very low | 140 Ų | 140 | 134.4 Ų | 134.4 | 75% | 0.749 | 72% | 0.715 | S | S | * | * | trans | -55 | 128.2 | -173.6 | -67.2 | -36.1 | 0 | 0 | 0 | 113.1 | ||||
| 1416 | N | 27.1 | Very low | 27.9 | Very low | 110 Ų | 110 | 132 Ų | 132 | 59% | 0.588 | 71% | 0.708 | S | S | * | * | trans | -152.7 | 49.6 | 160.7 | -112.5 | -9.2 | 0 | 0 | 0 | 111.4 | N1418 | N1416-N1418 PolarHBondContact O-N 2.89Å; N1416-N1418 VanDerWaalsContact O-N 3.14Å | ||
| 1417 | D | 29.2 | Very low | 28.1 | Very low | 145 Ų | 145 | 127.5 Ų | 127.5 | 78% | 0.775 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | 46.6 | 177.9 | -80 | -25.1 | 0 | 0 | 0 | 113.3 | ||
| 1418 | N | 30.2 | Very low | 29.1 | Very low | 162 Ų | 162 | 121.3 Ų | 121.3 | 87% | 0.866 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.3 | 12.3 | 170.7 | -96.4 | -9.7 | 0 | 0 | 0 | 114.3 | N1416 | N1416-N1418 PolarHBondContact O-N 2.89Å; N1416-N1418 VanDerWaalsContact O-N 3.14Å |
| 1419 | N | 29.3 | Very low | 30.8 | Very low | 115 Ų | 115 | 117.8 Ų | 117.8 | 62% | 0.615 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -118.3 | 10.7 | -178.2 | -134.7 | 10.5 | 0 | 0 | 0 | 116 | ||
| 1420 | S | 29.5 | Very low | 32.9 | Very low | 81 Ų | 81 | 113.6 Ų | 113.6 | 57% | 0.566 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -86.3 | -10.9 | 177 | 57.1 | 0 | 0 | 0 | 0 | 114.8 | ||
| 1421 | N | 30.7 | Very low | 35.4 | Very low | 134 Ų | 134 | 105.3 Ų | 105.3 | 72% | 0.717 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -87.1 | -10.4 | -176.2 | -91.4 | -2.9 | 0 | 0 | 0 | 116 | ||
| 1422 | N | 28.7 | Very low | 38.2 | Very low | 104 Ų | 104 | 100.5 Ų | 100.5 | 56% | 0.556 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -90.1 | -18.1 | -178.6 | -75.8 | -16.5 | 0 | 0 | 0 | 114.4 | ||
| 1423 | N | 28.7 | Very low | 40.9 | Very low | 128 Ų | 128 | 92.7 Ų | 92.7 | 68% | 0.684 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -91.1 | -16.9 | -174.9 | -70 | -8.1 | 0 | 0 | 0 | 114.3 | ||
| 1424 | V | 31.3 | Very low | 43.9 | Very low | 83 Ų | 83 | 86.4 Ų | 86.4 | 50% | 0.503 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -86.9 | -24.5 | -179.7 | -176.8 | 0 | 0 | 0 | 0 | 112.3 | L1426 | V1424-L1426 PolarHBondContact O-N 3.23Š|
| 1425 | E | 34.4 | Very low | 47 | Very low | 78 Ų | 78 | 79.2 Ų | 79.2 | 36% | 0.364 | 43% | 0.425 | S | S | . | . | G | 310 helix | trans | -71.3 | -27.7 | 179 | -75.3 | -169.9 | 157.4 | 0 | 0 | 112.5 | R98 F144 F1427 | R98-E1425 IonicContact CZ-OE2 3.99Å; R98-E1425 IonicContact NH1-OE1 2.99Å; R98-E1425 IonicContact NH1-OE2 3.94Å; R98-E1425 PolarHBondContact NH1-OE2 3.4Å; R98-E1425 IonicContact NH2-OE1 3.77Å; R98-E1425 IonicContact NH2-OE2 3.91Å; R98-E1425 PolarHBondContact NH2-OE2 3.5Å; F144-E1425 HydrophobicContact CE1-CB 4.03Å; F144-E1425 WeakPolarHBondContact CE1-O 3.34Å; F144-E1425 HydrophobicContact CZ-CB 4.12Å; F144-E1425 HydrophobicContact CZ-CG 4.49Å; E1425-F1427 PolarHBondContact O-N 3.02Å |
| 1426 | L | 30.5 | Very low | 49.7 | Very low | 126 Ų | 126 | 72.6 Ų | 72.6 | 66% | 0.66 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -76 | -19.6 | -169.5 | -122.8 | 89.2 | 0 | 0 | 0 | 116.2 | V1424 | V1424-L1426 PolarHBondContact O-N 3.23Š|
| 1427 | F | 29.3 | Very low | 52.6 | Low | 155 Ų | 155 | 67.4 Ų | 67.4 | 68% | 0.68 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -117.7 | 8.5 | -168.2 | -68.6 | -73.7 | 0 | 0 | 0 | 115.5 | E1425 | E1425-F1427 PolarHBondContact O-N 3.02Š|
| 1428 | S | 42.5 | Very low | 55.6 | Low | 32 Ų | 32 | 61 Ų | 61 | 22% | 0.224 | 33% | 0.327 | C | S | . | . | trans | -106.8 | 31.8 | -170.1 | 65.4 | 0 | 0 | 0 | 0 | 115 | S1430 | S1428-S1430 PolarHBondContact O-N 3.15Å; S1428-S1430 VanDerWaalsContact O-N 3.14Å | ||
| 1429 | Q | 61.4 | Low | 58.5 | Low | 44 Ų | 44 | 53.4 Ų | 53.4 | 21% | 0.206 | 29% | 0.287 | C | S | . | . | trans | -68.9 | 113.8 | -178.2 | -74.6 | 153.9 | -8.4 | 0 | 0 | 110.8 | S141 F147 W1431 | S141-Q1429 PolarHBondContact O-NE2 3.5Å; S141-Q1429 PolarHBondContact OG-NE2 3.22Å; F147-Q1429 HydrophobicContact CD2-CB 4.02Å; F147-Q1429 HydrophobicContact CE2-CB 3.59Å; F147-Q1429 HydrophobicContact CE2-CG 3.98Å; F147-Q1429 HydrophobicContact CZ-CB 4.41Å; F147-Q1429 HydrophobicContact CZ-CG 4.33Å; Q1429-W1431 PolarHBondContact O-N 3.01Å | ||
| 1430 | S | 68.1 | Low | 61.4 | Low | 13 Ų | 13 | 48.9 Ų | 48.9 | 9% | 0.091 | 26% | 0.262 | C | S | . | . | trans | -65.8 | 123.8 | -172.1 | 57.9 | 0 | 0 | 0 | 0 | 112.1 | P1366 P1368 S1428 | P1366-S1430 CarbonylContact O-C 2.82Å; P1366-S1430 VanDerWaalsContact O-CA 3.22Å; P1366-S1430 WeakPolarHBondContact O-CA 3.37Å; P1368-S1430 VanDerWaalsContact CA-CB 3.46Å; S1428-S1430 PolarHBondContact O-N 3.15Å; S1428-S1430 VanDerWaalsContact O-N 3.14Å | ||
| 1431 | W | 81.5 | Confident | 64.3 | Low | 1 Ų | 1 | 45.1 Ų | 45.1 | 0% | 0.004 | 24% | 0.236 | C | C | . | . | trans | -105.8 | 74.1 | -179.4 | -168.1 | 18.3 | 0 | 0 | 0 | 111.9 | I149 L167 H168 H171 Y1365 P1366 Q1429 E1433 M1434 L1435 | I149-W1431 HydrophobicContact CD1-CZ2 3.49Å; I149-W1431 VanDerWaalsContact CD1-CZ2 3.49Å; I149-W1431 VanDerWaalsContact CD1-NE1 3.28Å; L167-W1431 HydrophobicContact CD1-CZ2 4.25Å; L167-W1431 HydrophobicContact CD2-CZ2 4.48Å; L167-W1431 HydrophobicContact CG-CH2 4.37Å; L167-W1431 HydrophobicContact CG-CZ2 3.78Å; H168-W1431 HydrophobicContact CB-CH2 4.25Å; H171-W1431 HydrophobicContact CB-CD2 4.41Å; H171-W1431 HydrophobicContact CB-CE3 4.41Å; H171-W1431 HydrophobicContact CB-CH2 3.5Å; H171-W1431 VanDerWaalsContact CB-CH2 3.5Å; H171-W1431 HydrophobicContact CB-CZ2 3.33Å; H171-W1431 HydrophobicContact CB-CZ3 4Å; H171-W1431 AromaticContact CD2-CD2 3.74Å; H171-W1431 AromaticContact CD2-CE3 3.37Å; H171-W1431 AromaticContact CD2-CH2 3.96Å; H171-W1431 AromaticContact CD2-CZ3 3.51Å; H171-W1431 AromaticContact CE1-CD2 3.95Å; H171-W1431 AromaticContact CG-CD2 3.8Å; H171-W1431 AromaticContact CG-CE2 3.66Å; H171-W1431 AromaticContact CG-CE3 3.83Å; H171-W1431 AromaticContact CG-CH2 3.83Å; H171-W1431 AromaticContact CG-CZ2 3.66Å; H171-W1431 AromaticContact CG-CZ3 3.87Å; H171-W1431 AromaticContact ND1-CD2 3.93Å; H171-W1431 AromaticContact ND1-CE2 3.84Å; H171-W1431 AromaticContact NE2-CD2 3.82Å; H171-W1431 AromaticContact NE2-CE3 3.67Å; Y1365-W1431 AromaticContact CD1-CE3 3.56Å; Y1365-W1431 HydrophobicContact CD1-CE3 3.56Å; Y1365-W1431 AromaticContact CD1-CZ3 3.84Å; Y1365-W1431 HydrophobicContact CD1-CZ3 3.84Å; Y1365-W1431 AromaticContact CE1-CE3 3.72Å; Y1365-W1431 HydrophobicContact CE1-CE3 3.72Å; Y1365-W1431 AromaticContact CE1-CZ3 3.47Å; Y1365-W1431 HydrophobicContact CE1-CZ3 3.47Å; Y1365-W1431 VanDerWaalsContact CE1-CZ3 3.47Å; Y1365-W1431 HydrophobicContact CE2-CZ3 4.45Å; Y1365-W1431 HydrophobicContact CG-CE3 4.06Å; Y1365-W1431 HydrophobicContact CG-CZ3 4.45Å; Y1365-W1431 AromaticContact CZ-CZ3 3.79Å; P1366-W1431 PolarHBondContact O-N 2.88Å; Q1429-W1431 PolarHBondContact O-N 3.01Å; W1431-E1433 VanDerWaalsContact C-N 3.35Å; W1431-E1433 PolarHBondContact O-N 3.28Å; W1431-M1434 HydrophobicContact CD2-CB 3.47Å; W1431-M1434 VanDerWaalsContact CD2-CB 3.47Å; W1431-M1434 HydrophobicContact CD2-CG 4.32Å; W1431-M1434 HydrophobicContact CE3-CB 3.63Å; W1431-M1434 HydrophobicContact CE3-CG 3.98Å; W1431-M1434 HydrophobicContact CG-CB 4.04Å; W1431-M1434 HydrophobicContact CH2-CB 3.71Å; W1431-M1434 HydrophobicContact CH2-CG 3.75Å; W1431-M1434 HydrophobicContact CH2-SD 4.05Å; W1431-M1434 HydrophobicContact CZ2-CB 3.7Å; W1431-M1434 HydrophobicContact CZ2-CG 4.24Å; W1431-M1434 HydrophobicContact CZ3-CB 3.74Å; W1431-M1434 HydrophobicContact CZ3-CG 3.67Å; W1431-M1434 HydrophobicContact CZ3-SD 4.47Å; W1431-M1434 PolarHBondContact O-N 2.89Å; W1431-L1435 WeakPolarHBondContact O-CG 3.43Å; W1431-L1435 PolarHBondContact O-N 2.96Å | ||
| 1432 | I | 81.5 | Confident | 67.2 | Low | 4 Ų | 4 | 38.9 Ų | 38.9 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61 | -41.1 | -171.4 | -59 | 177.1 | 0 | 0 | 0 | 111.7 | P146 P1368 M1434 L1435 T1436 H1512 V1518 T1522 I1526 | P146-I1432 HydrophobicContact CB-CD1 3.85Å; P146-I1432 HydrophobicContact CB-CG1 4.25Å; P146-I1432 HydrophobicContact CG-CD1 4.08Å; P1368-I1432 HydrophobicContact CB-CD1 4.14Å; P1368-I1432 HydrophobicContact CB-CG1 4.42Å; P1368-I1432 HydrophobicContact CG-CD1 4.04Å; P1368-I1432 HydrophobicContact CG-CG1 4.03Å; I1432-M1434 PolarHBondContact O-N 3.11Å; I1432-L1435 PolarHBondContact O-N 2.91Å; I1432-T1436 HydrophobicContact CG2-CG2 4.05Å; I1432-T1436 VanDerWaalsContact O-CG2 3.31Å; I1432-T1436 WeakPolarHBondContact O-CG2 3.38Å; I1432-T1436 PolarHBondContact O-N 3.13Å; I1432-T1436 PolarHBondContact O-OG1 2.97Å; I1432-T1436 VanDerWaalsContact O-OG1 3.08Å; I1432-H1512 HydrophobicContact CG2-CB 4.14Å; I1432-V1518 HydrophobicContact CD1-CG1 4.26Å; I1432-V1518 HydrophobicContact CD1-CG2 4.39Å; I1432-T1522 HydrophobicContact CD1-CG2 4.19Å; I1432-I1526 HydrophobicContact CG2-CD1 3.42Å; I1432-I1526 VanDerWaalsContact CG2-CD1 3.42Å; I1432-I1526 HydrophobicContact CG2-CG2 4.2Å |
| 1433 | E | 83.4 | Confident | 70.2 | Confident | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.009 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -55.9 | -49.9 | -179.2 | -67.2 | 173.9 | -163.1 | 0 | 0 | 112.8 | I149 P159 W1431 T1436 L1437 R1525 | I149-E1433 PolarHBondContact N-OE1 3.05Å; P159-E1433 HydrophobicContact CB-CB 4.19Å; W1431-E1433 VanDerWaalsContact C-N 3.35Å; W1431-E1433 PolarHBondContact O-N 3.28Å; E1433-T1436 PolarHBondContact O-N 3.04Å; E1433-T1436 PolarHBondContact O-OG1 3.26Å; E1433-L1437 PolarHBondContact O-N 3.36Å; E1433-R1525 IonicContact OE1-CZ 3.4Å; E1433-R1525 IonicContact OE1-NH1 2.73Å; E1433-R1525 PolarHBondContact OE1-NH1 3.04Å; E1433-R1525 IonicContact OE1-NH2 3.82Å; E1433-R1525 PolarHBondContact OE1-NH2 3.03Å; E1433-R1525 IonicContact OE2-NH2 3.67Å |
| 1434 | M | 88.8 | Confident | 73.1 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67.4 | -40.6 | -179.9 | -174.8 | 61.5 | 172.9 | 0 | 0 | 112.1 | P164 L167 T1303 Y1365 W1431 I1432 L1437 I1438 | P164-M1434 HydrophobicContact CB-CE 3.82Å; P164-M1434 HydrophobicContact CB-SD 4.39Å; L167-M1434 HydrophobicContact CD2-SD 4.01Å; L167-M1434 HydrophobicContact CG-SD 4.39Å; T1303-M1434 HydrophobicContact CG2-CE 3.7Å; T1303-M1434 WeakPolarHBondContact OG1-CE 3.49Å; Y1365-M1434 HydrophobicContact CD2-CB 4.45Å; Y1365-M1434 HydrophobicContact CD2-CG 3.63Å; Y1365-M1434 HydrophobicContact CE2-CE 3.75Å; Y1365-M1434 HydrophobicContact CE2-CG 3.49Å; Y1365-M1434 VanDerWaalsContact CE2-CG 3.49Å; Y1365-M1434 HydrophobicContact CG-CG 4.3Å; W1431-M1434 HydrophobicContact CD2-CB 3.47Å; W1431-M1434 VanDerWaalsContact CD2-CB 3.47Å; W1431-M1434 HydrophobicContact CD2-CG 4.32Å; W1431-M1434 HydrophobicContact CE3-CB 3.63Å; W1431-M1434 HydrophobicContact CE3-CG 3.98Å; W1431-M1434 HydrophobicContact CG-CB 4.04Å; W1431-M1434 HydrophobicContact CH2-CB 3.71Å; W1431-M1434 HydrophobicContact CH2-CG 3.75Å; W1431-M1434 HydrophobicContact CH2-SD 4.05Å; W1431-M1434 HydrophobicContact CZ2-CB 3.7Å; W1431-M1434 HydrophobicContact CZ2-CG 4.24Å; W1431-M1434 HydrophobicContact CZ3-CB 3.74Å; W1431-M1434 HydrophobicContact CZ3-CG 3.67Å; W1431-M1434 HydrophobicContact CZ3-SD 4.47Å; W1431-M1434 PolarHBondContact O-N 2.89Å; I1432-M1434 PolarHBondContact O-N 3.11Å; M1434-L1437 WeakPolarHBondContact O-CB 3.29Å; M1434-L1437 PolarHBondContact O-N 3Å; M1434-L1437 HydrophobicContact SD-CD2 4.39Å; M1434-I1438 HydrophobicContact CE-CD1 4.09Å; M1434-I1438 HydrophobicContact CE-CG1 4.39Å; M1434-I1438 HydrophobicContact CG-CD1 4.09Å; M1434-I1438 WeakPolarHBondContact O-CG1 3.4Å; M1434-I1438 PolarHBondContact O-N 3.24Å |
| 1435 | L | 90.2 | Very high | 75.9 | Confident | 7 Ų | 7 | 27 Ų | 27 | 4% | 0.037 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.2 | -43.7 | 176.5 | -70.8 | 172.2 | 0 | 0 | 0 | 111.4 | P1363 P1366 A1367 W1431 I1432 L1437 I1438 S1439 H1512 | P1363-L1435 HydrophobicContact CB-CD2 3.87Å; P1366-L1435 WeakPolarHBondContact O-CD1 3.13Å; A1367-L1435 HydrophobicContact CB-CD1 3.96Å; W1431-L1435 WeakPolarHBondContact O-CG 3.43Å; W1431-L1435 PolarHBondContact O-N 2.96Å; I1432-L1435 PolarHBondContact O-N 2.91Å; L1435-L1437 VanDerWaalsContact C-N 3.33Å; L1435-L1437 PolarHBondContact O-N 2.85Å; L1435-I1438 PolarHBondContact O-N 2.93Å; L1435-S1439 WeakPolarHBondContact O-CB 3.4Å; L1435-S1439 PolarHBondContact O-N 3.28Å; L1435-S1439 PolarHBondContact O-OG 3.11Å; L1435-S1439 VanDerWaalsContact O-OG 3.05Å; L1435-H1512 HydrophobicContact CB-CB 4.24Å; L1435-H1512 HydrophobicContact CD1-CB 4.21Å; L1435-H1512 PolarHBondContact O-NE2 3.39Å |
| 1436 | T | 88 | Confident | 78.6 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.1 | -33.7 | 176.7 | 56 | 0 | 0 | 0 | 0 | 113 | I1432 E1433 N1440 I1526 M1537 | I1432-T1436 HydrophobicContact CG2-CG2 4.05Å; I1432-T1436 VanDerWaalsContact O-CG2 3.31Å; I1432-T1436 WeakPolarHBondContact O-CG2 3.38Å; I1432-T1436 PolarHBondContact O-N 3.13Å; I1432-T1436 PolarHBondContact O-OG1 2.97Å; I1432-T1436 VanDerWaalsContact O-OG1 3.08Å; E1433-T1436 PolarHBondContact O-N 3.04Å; E1433-T1436 PolarHBondContact O-OG1 3.26Å; T1436-N1440 WeakPolarHBondContact O-CB 3.46Å; T1436-N1440 PolarHBondContact O-N 2.9Å; T1436-I1526 HydrophobicContact CG2-CB 4.06Å; T1436-I1526 HydrophobicContact CG2-CD1 4.35Å; T1436-I1526 HydrophobicContact CG2-CG2 4.32Å; T1436-M1537 HydrophobicContact CG2-CE 4.32Å |
| 1437 | L | 88.5 | Confident | 81.4 | Confident | 2 Ų | 2 | 20.7 Ų | 20.7 | 1% | 0.01 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -66.7 | -44 | 174 | -176.3 | 62.2 | 0 | 0 | 0 | 111.8 | P159 Y160 P164 L167 R1310 E1433 M1434 L1435 N1440 A1441 | P159-L1437 VanDerWaalsContact O-CD1 3.25Å; P159-L1437 WeakPolarHBondContact O-CD1 3.44Å; Y160-L1437 HydrophobicContact CD1-CD1 3.96Å; P164-L1437 HydrophobicContact CB-CD2 4.01Å; P164-L1437 HydrophobicContact CG-CD2 3.88Å; P164-L1437 HydrophobicContact CG-CG 4.43Å; L167-L1437 HydrophobicContact CD2-CD2 3.74Å; R1310-L1437 VanDerWaalsContact NH1-CD1 3.3Å; E1433-L1437 PolarHBondContact O-N 3.36Å; M1434-L1437 WeakPolarHBondContact O-CB 3.29Å; M1434-L1437 PolarHBondContact O-N 3Å; M1434-L1437 HydrophobicContact SD-CD2 4.39Å; L1435-L1437 VanDerWaalsContact C-N 3.33Å; L1435-L1437 PolarHBondContact O-N 2.85Å; L1437-N1440 PolarHBondContact O-N 3.48Å; L1437-A1441 WeakPolarHBondContact O-CB 3.14Å; L1437-A1441 PolarHBondContact O-N 2.89Å |
| 1438 | I | 91.2 | Very high | 84.2 | Confident | 11 Ų | 11 | 14 Ų | 14 | 6% | 0.056 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -62.6 | -50.4 | 176.4 | -74 | 168.8 | 0 | 0 | 0 | 110.1 | F1306 M1359 Y1365 M1434 L1435 N1440 A1441 E1442 | F1306-I1438 HydrophobicContact CD1-CG2 4.38Å; F1306-I1438 HydrophobicContact CD2-CB 4.41Å; F1306-I1438 HydrophobicContact CD2-CG1 4.23Å; F1306-I1438 HydrophobicContact CD2-CG2 3.57Å; F1306-I1438 HydrophobicContact CE1-CG2 4.24Å; F1306-I1438 HydrophobicContact CE2-CG2 3.42Å; F1306-I1438 VanDerWaalsContact CE2-CG2 3.42Å; F1306-I1438 HydrophobicContact CG-CG1 4.43Å; F1306-I1438 HydrophobicContact CG-CG2 4.07Å; F1306-I1438 HydrophobicContact CZ-CG2 3.76Å; M1359-I1438 HydrophobicContact CE-CG2 4.42Å; Y1365-I1438 HydrophobicContact CD2-CD1 3.91Å; Y1365-I1438 HydrophobicContact CE2-CD1 3.91Å; M1434-I1438 HydrophobicContact CE-CD1 4.09Å; M1434-I1438 HydrophobicContact CE-CG1 4.39Å; M1434-I1438 HydrophobicContact CG-CD1 4.09Å; M1434-I1438 WeakPolarHBondContact O-CG1 3.4Å; M1434-I1438 PolarHBondContact O-N 3.24Å; L1435-I1438 PolarHBondContact O-N 2.93Å; I1438-N1440 VanDerWaalsContact C-N 3.29Å; I1438-N1440 PolarHBondContact O-N 3.21Å; I1438-A1441 CarbonylContact O-C 3.54Å; I1438-A1441 PolarHBondContact O-N 3.4Å; I1438-A1441 VanDerWaalsContact O-N 3.12Å; I1438-E1442 WeakPolarHBondContact O-CB 3.31Å; I1438-E1442 PolarHBondContact O-N 3.47Å |
| 1439 | S | 91.5 | Very high | 86.3 | Confident | 2 Ų | 2 | 12.6 Ų | 12.6 | 1% | 0.014 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -59.2 | -39.6 | 179 | -63.8 | 0 | 0 | 0 | 0 | 112.4 | L1435 E1442 L1443 F1506 Q1510 H1512 | L1435-S1439 WeakPolarHBondContact O-CB 3.4Å; L1435-S1439 PolarHBondContact O-N 3.28Å; L1435-S1439 PolarHBondContact O-OG 3.11Å; L1435-S1439 VanDerWaalsContact O-OG 3.05Å; S1439-E1442 WeakPolarHBondContact O-CB 3.42Å; S1439-E1442 PolarHBondContact O-N 2.96Å; S1439-L1443 PolarHBondContact O-N 3.04Å; S1439-L1443 VanDerWaalsContact O-N 3.08Å; S1439-F1506 WeakPolarHBondContact O-CE2 3.25Å; S1439-Q1510 PolarHBondContact OG-OE1 3.34Å; S1439-H1512 PolarHBondContact OG-NE2 3.46Å |
| 1440 | N | 89.8 | Confident | 87.4 | Confident | 20 Ų | 20 | 10.7 Ų | 10.7 | 11% | 0.107 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -64.7 | -44.8 | 175.2 | -174.7 | 76.5 | 0 | 0 | 0 | 111.8 | Y160 T1436 L1437 I1438 E1442 L1443 D1444 M1537 | Y160-N1440 HydrophobicContact CD1-CB 4.4Å; Y160-N1440 HydrophobicContact CE1-CB 3.93Å; T1436-N1440 WeakPolarHBondContact O-CB 3.46Å; T1436-N1440 PolarHBondContact O-N 2.9Å; L1437-N1440 PolarHBondContact O-N 3.48Å; I1438-N1440 VanDerWaalsContact C-N 3.29Å; I1438-N1440 PolarHBondContact O-N 3.21Å; N1440-E1442 VanDerWaalsContact C-N 3.28Å; N1440-E1442 PolarHBondContact O-N 2.89Å; N1440-L1443 PolarHBondContact O-N 3.49Å; N1440-D1444 PolarHBondContact ND2-OD2 3Å; N1440-D1444 PolarHBondContact O-N 2.99Å; N1440-M1537 HydrophobicContact CB-SD 3.82Å |
| 1441 | A | 89.8 | Confident | 88 | Confident | 2 Ų | 2 | 13.9 Ų | 13.9 | 2% | 0.017 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -64.8 | -33.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F1306 R1310 L1437 I1438 D1444 V1445 | F1306-A1441 HydrophobicContact CD1-CB 3.74Å; F1306-A1441 HydrophobicContact CE1-CB 4.45Å; R1310-A1441 HydrophobicContact CG-CB 3.88Å; L1437-A1441 WeakPolarHBondContact O-CB 3.14Å; L1437-A1441 PolarHBondContact O-N 2.89Å; I1438-A1441 CarbonylContact O-C 3.54Å; I1438-A1441 PolarHBondContact O-N 3.4Å; I1438-A1441 VanDerWaalsContact O-N 3.12Å; A1441-D1444 PolarHBondContact O-N 3.07Å; A1441-V1445 VanDerWaalsContact O-CG2 3.24Å; A1441-V1445 WeakPolarHBondContact O-CG2 3.5Å; A1441-V1445 PolarHBondContact O-N 3.37Å |
| 1442 | E | 93 | Very high | 87.9 | Confident | 2 Ų | 2 | 15.8 Ų | 15.8 | 1% | 0.009 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -61.1 | -51.8 | 172.9 | -164.5 | -168.5 | 143 | 0 | 0 | 111.4 | F1306 F1356 H1360 I1438 S1439 N1440 D1444 V1445 I1446 F1506 | F1306-E1442 HydrophobicContact CE1-CB 3.62Å; F1306-E1442 HydrophobicContact CE1-CG 4.11Å; F1306-E1442 HydrophobicContact CZ-CB 3.92Å; F1306-E1442 HydrophobicContact CZ-CG 4.07Å; F1356-E1442 HydrophobicContact CD1-CG 4.22Å; F1356-E1442 HydrophobicContact CD2-CG 3.74Å; F1356-E1442 HydrophobicContact CE1-CG 4.24Å; F1356-E1442 HydrophobicContact CE2-CG 3.77Å; F1356-E1442 HydrophobicContact CG-CG 3.97Å; F1356-E1442 HydrophobicContact CZ-CG 4.02Å; H1360-E1442 IonicContact CD2-OE1 2.55Å; H1360-E1442 IonicContact CD2-OE2 3.79Å; H1360-E1442 IonicContact CE1-OE1 2.61Å; H1360-E1442 PolarHBondContact CE1-OE1 3.16Å; H1360-E1442 IonicContact NE2-OE1 3.52Å; H1360-E1442 PolarHBondContact NE2-OE1 3.33Å; H1360-E1442 IonicContact NE2-OE2 2.65Å; H1360-E1442 PolarHBondContact NE2-OE2 3.44Å; I1438-E1442 WeakPolarHBondContact O-CB 3.31Å; I1438-E1442 PolarHBondContact O-N 3.47Å; S1439-E1442 WeakPolarHBondContact O-CB 3.42Å; S1439-E1442 PolarHBondContact O-N 2.96Å; N1440-E1442 VanDerWaalsContact C-N 3.28Å; N1440-E1442 PolarHBondContact O-N 2.89Å; E1442-D1444 VanDerWaalsContact C-N 3.31Å; E1442-D1444 PolarHBondContact O-N 3.23Å; E1442-V1445 PolarHBondContact O-N 2.89Å; E1442-V1445 VanDerWaalsContact O-N 3.11Å; E1442-I1446 HydrophobicContact CG-CD1 4.09Å; E1442-I1446 VanDerWaalsContact O-CG1 3.3Å; E1442-I1446 WeakPolarHBondContact O-CG1 3.43Å; E1442-I1446 PolarHBondContact O-N 3.02Å; E1442-F1506 HydrophobicContact CB-CE2 4.43Å |
| 1443 | L | 91.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -60.7 | -40.2 | 176.3 | -71.4 | -179.6 | 0 | 0 | 0 | 112.6 | S1439 N1440 V1445 I1446 E1447 L1503 F1506 M1537 R1540 A1541 L1544 | S1439-L1443 PolarHBondContact O-N 3.04Å; S1439-L1443 VanDerWaalsContact O-N 3.08Å; N1440-L1443 PolarHBondContact O-N 3.49Å; L1443-V1445 VanDerWaalsContact C-N 3.26Å; L1443-V1445 PolarHBondContact O-N 3.42Å; L1443-I1446 PolarHBondContact O-N 3.26Å; L1443-E1447 WeakPolarHBondContact O-CB 3.45Å; L1443-E1447 PolarHBondContact O-N 2.71Å; L1443-L1503 HydrophobicContact CD2-CD2 4.2Å; L1443-F1506 HydrophobicContact CD1-CE1 3.55Å; L1443-F1506 HydrophobicContact CD1-CE2 4.35Å; L1443-F1506 HydrophobicContact CD1-CZ 3.44Å; L1443-F1506 VanDerWaalsContact CD1-CZ 3.44Å; L1443-F1506 HydrophobicContact CD2-CD1 4.09Å; L1443-F1506 HydrophobicContact CD2-CD2 4.35Å; L1443-F1506 HydrophobicContact CD2-CE1 3.86Å; L1443-F1506 HydrophobicContact CD2-CE2 4.1Å; L1443-F1506 HydrophobicContact CD2-CG 4.34Å; L1443-F1506 HydrophobicContact CD2-CZ 3.87Å; L1443-F1506 HydrophobicContact CG-CD1 4.48Å; L1443-F1506 HydrophobicContact CG-CE1 3.79Å; L1443-F1506 HydrophobicContact CG-CE2 3.8Å; L1443-F1506 HydrophobicContact CG-CZ 3.38Å; L1443-M1537 HydrophobicContact CD1-CB 3.83Å; L1443-M1537 HydrophobicContact CD1-CG 4.17Å; L1443-M1537 WeakPolarHBondContact CD1-O 3.45Å; L1443-R1540 HydrophobicContact CD1-CB 4.26Å; L1443-R1540 HydrophobicContact CD1-CG 4.32Å; L1443-A1541 HydrophobicContact CD2-CB 3.99Å; L1443-L1544 HydrophobicContact CD2-CD1 4.19Å |
| 1444 | D | 89.1 | Confident | 87 | Confident | 58 Ų | 58 | 15.7 Ų | 15.7 | 31% | 0.31 | 8% | 0.08 | S | C | . | . | H | α-helix | trans | -60.1 | -38.1 | 176.4 | -66.7 | -22.3 | 0 | 0 | 0 | 111.6 | N1440 A1441 E1442 V1448 R1540 | N1440-D1444 PolarHBondContact ND2-OD2 3Å; N1440-D1444 PolarHBondContact O-N 2.99Å; A1441-D1444 PolarHBondContact O-N 3.07Å; E1442-D1444 VanDerWaalsContact C-N 3.31Å; E1442-D1444 PolarHBondContact O-N 3.23Å; D1444-V1448 VanDerWaalsContact O-CG2 3.24Å; D1444-V1448 WeakPolarHBondContact O-CG2 3.25Å; D1444-V1448 PolarHBondContact O-N 3.13Å; D1444-R1540 IonicContact OD1-CZ 2.9Å; D1444-R1540 VanDerWaalsContact OD1-CZ 3.25Å; D1444-R1540 IonicContact OD1-NH1 3.75Å; D1444-R1540 PolarHBondContact OD1-NH1 2.69Å; D1444-R1540 IonicContact OD1-NH2 4Å; D1444-R1540 PolarHBondContact OD1-NH2 2.8Å |
| 1445 | V | 90.3 | Very high | 86.3 | Confident | 7 Ų | 7 | 18.6 Ų | 18.6 | 4% | 0.042 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -71.3 | -46.1 | 176.2 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | L1309 W1317 F1356 A1441 E1442 L1443 E1447 V1448 L1449 | L1309-V1445 HydrophobicContact CB-CG2 3.81Å; L1309-V1445 HydrophobicContact CD1-CG2 4.23Å; L1309-V1445 HydrophobicContact CD2-CG1 4.47Å; L1309-V1445 HydrophobicContact CG-CG2 4.41Å; W1317-V1445 HydrophobicContact CZ2-CG1 4.28Å; F1356-V1445 HydrophobicContact CE2-CG1 4.49Å; F1356-V1445 HydrophobicContact CZ-CG1 4.33Å; A1441-V1445 VanDerWaalsContact O-CG2 3.24Å; A1441-V1445 WeakPolarHBondContact O-CG2 3.5Å; A1441-V1445 PolarHBondContact O-N 3.37Å; E1442-V1445 PolarHBondContact O-N 2.89Å; E1442-V1445 VanDerWaalsContact O-N 3.11Å; L1443-V1445 VanDerWaalsContact C-N 3.26Å; L1443-V1445 PolarHBondContact O-N 3.42Å; V1445-E1447 VanDerWaalsContact C-N 3.33Å; V1445-E1447 PolarHBondContact O-N 3.36Å; V1445-V1448 PolarHBondContact O-N 2.97Å; V1445-L1449 HydrophobicContact CG1-CD1 3.78Å; V1445-L1449 HydrophobicContact CG1-CG 4.27Å; V1445-L1449 WeakPolarHBondContact O-CB 3.43Å; V1445-L1449 VanDerWaalsContact O-CG 3.28Å; V1445-L1449 WeakPolarHBondContact O-CG 3.23Å; V1445-L1449 PolarHBondContact O-N 3.13Å |
| 1446 | I | 91 | Very high | 85.2 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -59.6 | -45.3 | 179.1 | -65.6 | 175.3 | 0 | 0 | 0 | 110.3 | F1353 F1356 E1442 L1443 V1448 L1449 I1450 L1503 | F1353-I1446 HydrophobicContact CE1-CD1 4.37Å; F1353-I1446 HydrophobicContact CE1-CG1 3.92Å; F1353-I1446 HydrophobicContact CE1-CG2 4.17Å; F1356-I1446 HydrophobicContact CD2-CD1 4.04Å; F1356-I1446 HydrophobicContact CD2-CG1 4.1Å; F1356-I1446 HydrophobicContact CE2-CD1 4.3Å; F1356-I1446 HydrophobicContact CE2-CG1 3.9Å; E1442-I1446 HydrophobicContact CG-CD1 4.09Å; E1442-I1446 VanDerWaalsContact O-CG1 3.3Å; E1442-I1446 WeakPolarHBondContact O-CG1 3.43Å; E1442-I1446 PolarHBondContact O-N 3.02Å; L1443-I1446 PolarHBondContact O-N 3.26Å; I1446-V1448 PolarHBondContact O-N 3.37Å; I1446-L1449 PolarHBondContact O-N 3.26Å; I1446-I1450 HydrophobicContact CG2-CD1 3.62Å; I1446-I1450 HydrophobicContact CG2-CG1 4.23Å; I1446-I1450 WeakPolarHBondContact O-CB 3.35Å; I1446-I1450 VanDerWaalsContact O-CG1 3.27Å; I1446-I1450 WeakPolarHBondContact O-CG1 3.48Å; I1446-I1450 PolarHBondContact O-N 3.24Å; I1446-L1503 HydrophobicContact CD1-CD2 4.25Å; I1446-L1503 HydrophobicContact CG2-CD2 4.13Å |
| 1447 | E | 90.2 | Very high | 84.1 | Confident | 73 Ų | 73 | 27 Ų | 27 | 34% | 0.341 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -59.6 | -47.4 | 177.4 | -177.6 | 174.1 | 164.8 | 0 | 0 | 111.9 | L1443 V1445 L1449 I1450 E1451 R1540 L1544 | L1443-E1447 WeakPolarHBondContact O-CB 3.45Å; L1443-E1447 PolarHBondContact O-N 2.71Å; V1445-E1447 VanDerWaalsContact C-N 3.33Å; V1445-E1447 PolarHBondContact O-N 3.36Å; E1447-L1449 VanDerWaalsContact C-N 3.32Å; E1447-L1449 PolarHBondContact O-N 3.31Å; E1447-I1450 PolarHBondContact O-N 3.16Å; E1447-E1451 WeakPolarHBondContact O-CB 3.26Å; E1447-E1451 PolarHBondContact O-N 3.42Å; E1447-R1540 IonicContact OE2-CZ 3.04Å; E1447-R1540 IonicContact OE2-NE 3.05Å; E1447-R1540 PolarHBondContact OE2-NE 2.61Å; E1447-R1540 IonicContact OE2-NH2 2.78Å; E1447-R1540 PolarHBondContact OE2-NH2 3.07Å; E1447-L1544 HydrophobicContact CB-CD1 4.28Å; E1447-L1544 HydrophobicContact CB-CD2 3.96Å; E1447-L1544 HydrophobicContact CG-CD2 3.9Å |
| 1448 | V | 87.2 | Confident | 82.9 | Confident | 15 Ų | 15 | 28.4 Ų | 28.4 | 9% | 0.091 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.9 | -38 | 177.6 | 170.2 | 0 | 0 | 0 | 0 | 111.8 | K1314 W1317 D1444 V1445 I1446 L1452 | K1314-V1448 HydrophobicContact CG-CG1 4.36Å; W1317-V1448 HydrophobicContact CG-CG1 4.35Å; D1444-V1448 VanDerWaalsContact O-CG2 3.24Å; D1444-V1448 WeakPolarHBondContact O-CG2 3.25Å; D1444-V1448 PolarHBondContact O-N 3.13Å; V1445-V1448 PolarHBondContact O-N 2.97Å; I1446-V1448 PolarHBondContact O-N 3.37Å; V1448-L1452 HydrophobicContact CG1-CD1 3.59Å; V1448-L1452 HydrophobicContact CG1-CG 4.23Å; V1448-L1452 VanDerWaalsContact O-CB 3.26Å; V1448-L1452 WeakPolarHBondContact O-CB 3.43Å; V1448-L1452 VanDerWaalsContact O-CG 3.3Å; V1448-L1452 WeakPolarHBondContact O-CG 3.43Å; V1448-L1452 PolarHBondContact O-N 3.21Å |
| 1449 | L | 86.1 | Confident | 81.7 | Confident | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -71.6 | -36.8 | 177.5 | -69.4 | 174.8 | 0 | 0 | 0 | 112.4 | W1317 F1321 L1349 L1352 V1445 I1446 E1447 V1453 I1454 | W1317-L1449 HydrophobicContact CE3-CD2 4.09Å; W1317-L1449 HydrophobicContact CH2-CD2 4.35Å; W1317-L1449 HydrophobicContact CZ3-CD2 4.02Å; F1321-L1449 HydrophobicContact CE2-CD2 4.2Å; F1321-L1449 HydrophobicContact CZ-CD2 3.77Å; L1349-L1449 HydrophobicContact CD2-CD1 4.11Å; L1349-L1449 HydrophobicContact CD2-CD2 4.15Å; L1352-L1449 HydrophobicContact CD2-CD1 3.48Å; L1352-L1449 VanDerWaalsContact CD2-CD1 3.48Å; V1445-L1449 HydrophobicContact CG1-CD1 3.78Å; V1445-L1449 HydrophobicContact CG1-CG 4.27Å; V1445-L1449 WeakPolarHBondContact O-CB 3.43Å; V1445-L1449 VanDerWaalsContact O-CG 3.28Å; V1445-L1449 WeakPolarHBondContact O-CG 3.23Å; V1445-L1449 PolarHBondContact O-N 3.13Å; I1446-L1449 PolarHBondContact O-N 3.26Å; E1447-L1449 VanDerWaalsContact C-N 3.32Å; E1447-L1449 PolarHBondContact O-N 3.31Å; L1449-V1453 WeakPolarHBondContact O-CB 3.42Å; L1449-V1453 PolarHBondContact O-N 3.06Å; L1449-I1454 PolarHBondContact O-N 3.2Å; L1449-I1454 VanDerWaalsContact O-N 3.15Å |
| 1450 | I | 84.2 | Confident | 80.3 | Confident | 4 Ų | 4 | 31.8 Ų | 31.8 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | I | π-helix | trans | -61.4 | -51.6 | 173.7 | -70.9 | 169.5 | 0 | 0 | 0 | 109.7 | I1446 E1447 I1454 E1455 L1544 L1548 | I1446-I1450 HydrophobicContact CG2-CD1 3.62Å; I1446-I1450 HydrophobicContact CG2-CG1 4.23Å; I1446-I1450 WeakPolarHBondContact O-CB 3.35Å; I1446-I1450 VanDerWaalsContact O-CG1 3.27Å; I1446-I1450 WeakPolarHBondContact O-CG1 3.48Å; I1446-I1450 PolarHBondContact O-N 3.24Å; E1447-I1450 PolarHBondContact O-N 3.16Å; I1450-I1454 HydrophobicContact CB-CD1 4.39Å; I1450-I1454 HydrophobicContact CG1-CD1 3.72Å; I1450-I1454 PolarHBondContact O-N 2.88Å; I1450-E1455 HydrophobicContact CG2-CG 4.08Å; I1450-E1455 PolarHBondContact O-N 3.14Å; I1450-L1544 HydrophobicContact CD1-CB 4.38Å; I1450-L1544 HydrophobicContact CD1-CD2 4.49Å; I1450-L1548 HydrophobicContact CD1-CD1 3.91Å; I1450-L1548 HydrophobicContact CD1-CD2 4.4Å; I1450-L1548 HydrophobicContact CD1-CG 4.16Å; I1450-L1548 HydrophobicContact CG1-CD1 4.43Å; I1450-L1548 HydrophobicContact CG1-CD2 4.23Å; I1450-L1548 HydrophobicContact CG2-CD2 3.75Å; I1450-L1548 HydrophobicContact CG2-CG 4.28Å |
| 1451 | E | 81.8 | Confident | 78.6 | Confident | 80 Ų | 80 | 36.4 Ų | 36.4 | 37% | 0.374 | 19% | 0.188 | S | C | . | . | I | π-helix | trans | -63.8 | -46.1 | -178.4 | -174 | -169.4 | 155.9 | 0 | 0 | 112.8 | K1314 E1447 P1456 | K1314-E1451 WeakPolarHBondContact CE-OE2 3.47Å; K1314-E1451 IonicContact NZ-OE1 3.29Å; K1314-E1451 PolarHBondContact NZ-OE1 3.44Å; K1314-E1451 IonicContact NZ-OE2 2.83Å; K1314-E1451 PolarHBondContact NZ-OE2 3.21Å; E1447-E1451 WeakPolarHBondContact O-CB 3.26Å; E1447-E1451 PolarHBondContact O-N 3.42Å; E1451-P1456 WeakPolarHBondContact O-CD 3.34Å; E1451-P1456 WeakPolarHBondContact O-CG 3.24Å |
| 1452 | L | 79.5 | Confident | 76.7 | Confident | 41 Ų | 41 | 43.2 Ų | 43.2 | 22% | 0.215 | 22% | 0.224 | C | C | . | . | I | π-helix | trans | -86.7 | -26.2 | -171.9 | -66.4 | -179.5 | 0 | 0 | 0 | 114.2 | K1314 W1317 V1318 V1448 | K1314-L1452 HydrophobicContact CB-CD1 4.33Å; K1314-L1452 HydrophobicContact CG-CD1 4.42Å; W1317-L1452 HydrophobicContact CB-CD1 3.94Å; V1318-L1452 HydrophobicContact CG2-CD1 4.43Å; V1318-L1452 HydrophobicContact CG2-CD2 4.49Å; V1448-L1452 HydrophobicContact CG1-CD1 3.59Å; V1448-L1452 HydrophobicContact CG1-CG 4.23Å; V1448-L1452 VanDerWaalsContact O-CB 3.26Å; V1448-L1452 WeakPolarHBondContact O-CB 3.43Å; V1448-L1452 VanDerWaalsContact O-CG 3.3Å; V1448-L1452 WeakPolarHBondContact O-CG 3.43Å; V1448-L1452 PolarHBondContact O-N 3.21Å |
| 1453 | V | 72.4 | Confident | 74.5 | Confident | 3 Ų | 3 | 47.2 Ų | 47.2 | 2% | 0.018 | 25% | 0.245 | C | C | . | . | I | π-helix | trans | -124.5 | -54 | -169.4 | -171.1 | 0 | 0 | 0 | 0 | 111.9 | F1321 I1345 L1349 L1449 P1456 Y1457 F1458 | F1321-V1453 HydrophobicContact CD2-CG2 3.72Å; F1321-V1453 HydrophobicContact CE1-CG2 4.22Å; F1321-V1453 HydrophobicContact CE2-CG2 3.27Å; F1321-V1453 HydrophobicContact CG-CG2 4.39Å; F1321-V1453 HydrophobicContact CZ-CG2 3.56Å; I1345-V1453 HydrophobicContact CG2-CG1 3.8Å; L1349-V1453 HydrophobicContact CD1-CG1 3.93Å; L1449-V1453 WeakPolarHBondContact O-CB 3.42Å; L1449-V1453 PolarHBondContact O-N 3.06Å; V1453-P1456 WeakPolarHBondContact O-CD 3.44Å; V1453-Y1457 HydrophobicContact CG1-CD2 4.48Å; V1453-Y1457 VanDerWaalsContact O-CB 3.25Å; V1453-Y1457 WeakPolarHBondContact O-CB 3.41Å; V1453-Y1457 WeakPolarHBondContact O-CD2 3.49Å; V1453-Y1457 PolarHBondContact O-N 3.13Å; V1453-Y1457 VanDerWaalsContact O-N 3.12Å; V1453-F1458 HydrophobicContact CG1-CE2 4.07Å |
| 1454 | I | 73.9 | Confident | 72.4 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | I | π-helix | trans | -71 | -48.1 | -169.8 | -62.1 | 155.5 | 0 | 0 | 0 | 111.2 | F1353 L1449 I1450 F1458 I1459 I1499 L1548 | F1353-I1454 HydrophobicContact CE2-CD1 4.35Å; F1353-I1454 HydrophobicContact CZ-CD1 4.24Å; L1449-I1454 PolarHBondContact O-N 3.2Å; L1449-I1454 VanDerWaalsContact O-N 3.15Å; I1450-I1454 HydrophobicContact CB-CD1 4.39Å; I1450-I1454 HydrophobicContact CG1-CD1 3.72Å; I1450-I1454 PolarHBondContact O-N 2.88Å; I1454-F1458 WeakPolarHBondContact O-CB 3.46Å; I1454-F1458 PolarHBondContact O-N 2.84Å; I1454-I1459 HydrophobicContact CG2-CD1 3.89Å; I1454-I1459 HydrophobicContact CG2-CG1 4.24Å; I1454-I1459 PolarHBondContact O-N 3.41Å; I1454-I1499 HydrophobicContact CD1-CD1 3.4Å; I1454-I1499 HydrophobicContact CD1-CG1 4.46Å; I1454-I1499 HydrophobicContact CG1-CD1 4.18Å; I1454-L1548 HydrophobicContact CG2-CD2 3.86Å |
| 1455 | E | 73.4 | Confident | 70.1 | Confident | 61 Ų | 61 | 56.3 Ų | 56.3 | 29% | 0.285 | 29% | 0.294 | S | S | . | . | I | π-helix | trans | -63.6 | -48.2 | 179.5 | -65.8 | -173.2 | 151.1 | 0 | 0 | 113.3 | I1450 N1460 S1551 | I1450-E1455 HydrophobicContact CG2-CG 4.08Å; I1450-E1455 PolarHBondContact O-N 3.14Å; E1455-N1460 PolarHBondContact O-N 2.95Å; E1455-S1551 PolarHBondContact OE1-OG 3.27Å |
| 1456 | P | 67.1 | Low | 67.9 | Low | 61 Ų | 61 | 62.2 Ų | 62.2 | 40% | 0.396 | 32% | 0.319 | S | S | . | . | I | π-helix | trans | -75.3 | -34 | -175.9 | -17.4 | 33 | 0 | 0 | 0 | 114 | E1451 V1453 | E1451-P1456 WeakPolarHBondContact O-CD 3.34Å; E1451-P1456 WeakPolarHBondContact O-CG 3.24Å; V1453-P1456 WeakPolarHBondContact O-CD 3.44Å |
| 1457 | Y | 64.2 | Low | 65.6 | Low | 124 Ų | 124 | 69.3 Ų | 69.3 | 49% | 0.486 | 35% | 0.35 | S | S | . | . | I | π-helix | trans | -98.5 | -36.6 | -171.6 | -73.4 | -90.3 | 0 | 0 | 0 | 114.3 | V1453 L1469 | V1453-Y1457 HydrophobicContact CG1-CD2 4.48Å; V1453-Y1457 VanDerWaalsContact O-CB 3.25Å; V1453-Y1457 WeakPolarHBondContact O-CB 3.41Å; V1453-Y1457 WeakPolarHBondContact O-CD2 3.49Å; V1453-Y1457 PolarHBondContact O-N 3.13Å; V1453-Y1457 VanDerWaalsContact O-N 3.12Å; Y1457-L1469 HydrophobicContact CE2-CD1 4.15Å; Y1457-L1469 WeakPolarHBondContact OH-CD1 3.35Å |
| 1458 | F | 64.4 | Low | 63.6 | Low | 31 Ų | 31 | 72.3 Ų | 72.3 | 14% | 0.136 | 37% | 0.368 | C | S | . | . | I | π-helix | trans | -105.4 | -29.5 | -169.5 | -69.3 | -84.2 | 0 | 0 | 0 | 112.9 | Y1346 L1349 V1453 I1454 T1487 T1492 L1495 | Y1346-F1458 HydrophobicContact CD2-CE1 4.43Å; L1349-F1458 HydrophobicContact CD1-CE2 4.3Å; V1453-F1458 HydrophobicContact CG1-CE2 4.07Å; I1454-F1458 WeakPolarHBondContact O-CB 3.46Å; I1454-F1458 PolarHBondContact O-N 2.84Å; F1458-T1487 HydrophobicContact CE1-CG2 4.49Å; F1458-T1492 HydrophobicContact CB-CG2 3.93Å; F1458-T1492 HydrophobicContact CD1-CG2 4.12Å; F1458-L1495 HydrophobicContact CE1-CD2 4.35Å; F1458-L1495 HydrophobicContact CE2-CD2 4.3Å; F1458-L1495 HydrophobicContact CZ-CD2 4.18Å |
| 1459 | I | 65.8 | Low | 61.7 | Low | 18 Ų | 18 | 73.3 Ų | 73.3 | 9% | 0.092 | 37% | 0.373 | C | S | . | . | I | π-helix | trans | -101.1 | -43.2 | -173.7 | -58.7 | 177.9 | 0 | 0 | 0 | 112.3 | I1454 P1461 L1548 S1551 I1552 | I1454-I1459 HydrophobicContact CG2-CD1 3.89Å; I1454-I1459 HydrophobicContact CG2-CG1 4.24Å; I1454-I1459 PolarHBondContact O-N 3.41Å; I1459-P1461 WeakPolarHBondContact O-CD 3.25Å; I1459-L1548 HydrophobicContact CD1-CD2 3.89Å; I1459-S1551 VanDerWaalsContact CG2-C 3.46Å; I1459-S1551 WeakPolarHBondContact CG2-O 3.46Å; I1459-I1552 HydrophobicContact CG2-CG1 4.13Å |
| 1460 | N | 61.9 | Low | 59.6 | Low | 65 Ų | 65 | 77.4 Ų | 77.4 | 35% | 0.348 | 39% | 0.394 | S | S | . | . | trans | -116.3 | 86.2 | -169 | -152.5 | -12.1 | 0 | 0 | 0 | 113.5 | E1455 N1462 L1463 | E1455-N1460 PolarHBondContact O-N 2.95Å; N1460-N1462 PolarHBondContact O-N 3.36Å; N1460-L1463 HydrophobicContact CB-CD1 4.14Å; N1460-L1463 WeakPolarHBondContact ND2-CD1 3.24Å | ||
| 1461 | P | 53.5 | Low | 57.5 | Low | 118 Ų | 118 | 80.6 Ų | 80.6 | 77% | 0.766 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -11.7 | -179.1 | 28.7 | -35.2 | 0 | 0 | 0 | 113.9 | I1459 | I1459-P1461 WeakPolarHBondContact O-CD 3.25Š|
| 1462 | N | 51.1 | Low | 55.5 | Low | 144 Ų | 144 | 80 Ų | 80 | 77% | 0.77 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | 2.2 | -171 | -72.6 | -23.9 | 0 | 0 | 0 | 114.8 | N1460 | N1460-N1462 PolarHBondContact O-N 3.36Š|
| 1463 | L | 45.5 | Very low | 53.3 | Low | 86 Ų | 86 | 86.9 Ų | 86.9 | 45% | 0.45 | 46% | 0.456 | S | S | . | . | trans | -91.3 | 111.5 | 176.5 | -77 | 157.2 | 0 | 0 | 0 | 109.7 | N1460 N1465 | N1460-L1463 HydrophobicContact CB-CD1 4.14Å; N1460-L1463 WeakPolarHBondContact ND2-CD1 3.24Å; L1463-N1465 HydrophobicContact CB-CB 4.05Å; L1463-N1465 PolarHBondContact O-N 3Å | ||
| 1464 | D | 47.1 | Very low | 51.4 | Low | 153 Ų | 153 | 92.5 Ų | 92.5 | 82% | 0.818 | 50% | 0.495 | S | S | * | . | trans | -56.5 | 8.3 | 160.3 | -87 | -32.4 | 0 | 0 | 0 | 113.3 | K1466 | D1464-K1466 PolarHBondContact O-N 3.44Š| ||
| 1465 | N | 41.6 | Very low | 49.5 | Very low | 97 Ų | 97 | 97 Ų | 97 | 52% | 0.519 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | 26.6 | 170.8 | -71.2 | -12.5 | 0 | 0 | 0 | 114.1 | L1463 F1467 L1468 | L1463-N1465 HydrophobicContact CB-CB 4.05Å; L1463-N1465 PolarHBondContact O-N 3Å; N1465-F1467 PolarHBondContact O-N 2.95Å; N1465-L1468 PolarHBondContact O-N 2.95Å |
| 1466 | K | 44.2 | Very low | 47.6 | Very low | 130 Ų | 130 | 101.8 Ų | 101.8 | 57% | 0.565 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.7 | -19.6 | 151.1 | -127.4 | -179.1 | -179.2 | 175.9 | 0 | 111.2 | D1464 L1468 I1470 | D1464-K1466 PolarHBondContact O-N 3.44Å; K1466-L1468 PolarHBondContact O-N 2.95Å; K1466-I1470 HydrophobicContact CB-CD1 3.94Å; K1466-I1470 HydrophobicContact CD-CD1 3.72Å; K1466-I1470 HydrophobicContact CG-CD1 3.59Å; K1466-I1470 VanDerWaalsContact O-CB 3.31Å; K1466-I1470 WeakPolarHBondContact O-CB 3.45Å; K1466-I1470 VanDerWaalsContact O-CG1 3.26Å; K1466-I1470 WeakPolarHBondContact O-CG1 3.43Å; K1466-I1470 PolarHBondContact O-N 2.95Å; K1466-I1470 VanDerWaalsContact O-N 3.14Å |
| 1467 | F | 42.5 | Very low | 46 | Very low | 150 Ų | 150 | 106.8 Ų | 106.8 | 66% | 0.658 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -56 | -33 | 172.8 | -102.4 | -89.1 | 0 | 0 | 0 | 116.9 | N1465 L1469 S1471 | N1465-F1467 PolarHBondContact O-N 2.95Å; F1467-L1469 VanDerWaalsContact C-N 3.27Å; F1467-L1469 PolarHBondContact O-N 3.46Å; F1467-S1471 WeakPolarHBondContact O-CB 3.3Å; F1467-S1471 PolarHBondContact O-N 3.36Å; F1467-S1471 PolarHBondContact O-OG 3.01Å |
| 1468 | L | 47.8 | Very low | 44.6 | Very low | 135 Ų | 135 | 107.3 Ų | 107.3 | 71% | 0.707 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -71.1 | -23.2 | -175.5 | -85.6 | 176.1 | 0 | 0 | 0 | 113.8 | N1465 K1466 | N1465-L1468 PolarHBondContact O-N 2.95Å; K1466-L1468 PolarHBondContact O-N 2.95Å |
| 1469 | L | 47.2 | Very low | 43.1 | Very low | 37 Ų | 37 | 109.9 Ų | 109.9 | 19% | 0.194 | 62% | 0.619 | C | S | . | * | H | α-helix | trans | -105.8 | -20.4 | 175.6 | -88.5 | 157.6 | 0 | 0 | 0 | 113.6 | V1318 Q1322 Y1457 F1467 | V1318-L1469 HydrophobicContact CG1-CD2 3.55Å; V1318-L1469 HydrophobicContact CG1-CG 4.23Å; Q1322-L1469 HydrophobicContact CB-CD2 4.36Å; Q1322-L1469 HydrophobicContact CG-CD2 3.01Å; Q1322-L1469 HydrophobicContact CG-CG 4.45Å; Q1322-L1469 PolarHBondContact NE2-O 2.95Å; Q1322-L1469 VanDerWaalsContact NE2-O 3.12Å; Y1457-L1469 HydrophobicContact CE2-CD1 4.15Å; Y1457-L1469 WeakPolarHBondContact OH-CD1 3.35Å; F1467-L1469 VanDerWaalsContact C-N 3.27Å; F1467-L1469 PolarHBondContact O-N 3.46Å |
| 1470 | I | 41.8 | Very low | 41.6 | Very low | 86 Ų | 86 | 116.2 Ų | 116.2 | 44% | 0.441 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -94.8 | -21.3 | 179.2 | -61.3 | 175.2 | 0 | 0 | 0 | 113.2 | K1466 A1472 | K1466-I1470 HydrophobicContact CB-CD1 3.94Å; K1466-I1470 HydrophobicContact CD-CD1 3.72Å; K1466-I1470 HydrophobicContact CG-CD1 3.59Å; K1466-I1470 VanDerWaalsContact O-CB 3.31Å; K1466-I1470 WeakPolarHBondContact O-CB 3.45Å; K1466-I1470 VanDerWaalsContact O-CG1 3.26Å; K1466-I1470 WeakPolarHBondContact O-CG1 3.43Å; K1466-I1470 PolarHBondContact O-N 2.95Å; K1466-I1470 VanDerWaalsContact O-N 3.14Å; I1470-A1472 CarbonylContact O-C 3.47Å; I1470-A1472 PolarHBondContact O-N 3.18Å; I1470-A1472 VanDerWaalsContact O-N 3.09Å |
| 1471 | S | 41.1 | Very low | 40.1 | Very low | 72 Ų | 72 | 119.6 Ų | 119.6 | 50% | 0.503 | 68% | 0.676 | S | S | . | * | S | Bend | trans | -68.3 | -9.8 | -177.6 | 57.4 | 0 | 0 | 0 | 0 | 114.8 | F1467 Q1473 | F1467-S1471 WeakPolarHBondContact O-CB 3.3Å; F1467-S1471 PolarHBondContact O-N 3.36Å; F1467-S1471 PolarHBondContact O-OG 3.01Å; S1471-Q1473 PolarHBondContact O-N 3.25Å |
| 1472 | A | 38.3 | Very low | 39.2 | Very low | 67 Ų | 67 | 119.2 Ų | 119.2 | 55% | 0.554 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -86.5 | 99.6 | 162.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | I1470 | I1470-A1472 CarbonylContact O-C 3.47Å; I1470-A1472 PolarHBondContact O-N 3.18Å; I1470-A1472 VanDerWaalsContact O-N 3.09Å |
| 1473 | Q | 33.8 | Very low | 38.3 | Very low | 185 Ų | 185 | 116 Ų | 116 | 86% | 0.864 | 67% | 0.667 | S | S | * | * | trans | 94.7 | 64.7 | 173.9 | -53.3 | 178.5 | -13.1 | 0 | 0 | 116.5 | S1471 | S1471-Q1473 PolarHBondContact O-N 3.25Š| ||
| 1474 | S | 33 | Very low | 37.7 | Very low | 121 Ų | 121 | 115.9 Ų | 115.9 | 85% | 0.846 | 67% | 0.67 | S | S | * | * | trans | -94.9 | 76.9 | 157.2 | -161.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1475 | S | 34.8 | Very low | 37.1 | Very low | 95 Ų | 95 | 114 Ų | 114 | 66% | 0.664 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -152.6 | 117.3 | 151.6 | 63.2 | 0 | 0 | 0 | 0 | 108.1 | ||
| 1476 | L | 32.9 | Very low | 36.9 | Very low | 162 Ų | 162 | 117.1 Ų | 117.1 | 85% | 0.848 | 68% | 0.678 | S | S | * | * | S | Bend | trans | 77.7 | 97.2 | -173.3 | -68.3 | 86.5 | 0 | 0 | 0 | 115.3 | ||
| 1477 | I | 33.7 | Very low | 37.1 | Very low | 167 Ų | 167 | 113.9 Ų | 113.9 | 86% | 0.856 | 67% | 0.669 | S | S | * | * | -178.4 | 129.6 | 104.7 | -83.2 | 151.4 | 0 | 0 | 0 | 107.5 | |||||
| 1478 | T | 34 | Very low | 37.6 | Very low | 134 Ų | 134 | 112.8 Ų | 112.8 | 82% | 0.822 | 67% | 0.666 | S | S | * | * | trans | -60.2 | 141.4 | -179.2 | 34.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1479 | A | 33.7 | Very low | 38 | Very low | 86 Ų | 86 | 111.6 Ų | 111.6 | 71% | 0.711 | 67% | 0.667 | S | S | * | * | trans | -44 | 131.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1480 | N | 34.3 | Very low | 38.5 | Very low | 150 Ų | 150 | 112.8 Ų | 112.8 | 80% | 0.802 | 68% | 0.678 | S | S | * | * | 166.1 | 93.3 | 126.1 | -83.9 | -19.1 | 0 | 0 | 0 | 110.8 | |||||
| 1481 | T | 29.2 | Very low | 39.6 | Very low | 136 Ų | 136 | 111.6 Ų | 111.6 | 83% | 0.834 | 67% | 0.672 | S | S | * | * | trans | 166.1 | 110.8 | 134.9 | 30.7 | 0 | 0 | 0 | 0 | 108.6 | A1483 | T1481-A1483 PolarHBondContact O-N 3.32Å; T1481-A1483 VanDerWaalsContact O-N 3.16Å | ||
| 1482 | P | 35.1 | Very low | 41 | Very low | 111 Ų | 111 | 108.8 Ų | 108.8 | 72% | 0.721 | 65% | 0.651 | S | S | * | * | trans | -82.3 | 95.1 | 177.3 | 32.8 | -28.7 | 0 | 0 | 0 | 108.4 | V1484 | P1482-V1484 HydrophobicContact CB-CG2 4.3Å; P1482-V1484 PolarHBondContact O-N 3.34Å | ||
| 1483 | A | 32.4 | Very low | 42.8 | Very low | 76 Ų | 76 | 107 Ų | 107 | 63% | 0.628 | 64% | 0.635 | S | S | * | * | trans | -69.3 | 83.2 | 161.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | T1481 C1485 | T1481-A1483 PolarHBondContact O-N 3.32Å; T1481-A1483 VanDerWaalsContact O-N 3.16Å; A1483-C1485 PolarHBondContact O-N 3.41Å | ||
| 1484 | V | 32.9 | Very low | 45 | Very low | 84 Ų | 84 | 101.9 Ų | 101.9 | 51% | 0.509 | 61% | 0.614 | S | S | . | * | trans | -73.3 | 103.1 | 165.7 | 179.6 | 0 | 0 | 0 | 0 | 105.8 | P1482 H1486 | P1482-V1484 HydrophobicContact CB-CG2 4.3Å; P1482-V1484 PolarHBondContact O-N 3.34Å; V1484-H1486 PolarHBondContact O-N 2.63Å | ||
| 1485 | C | 35.7 | Very low | 47.4 | Very low | 113 Ų | 113 | 96.3 Ų | 96.3 | 76% | 0.764 | 57% | 0.574 | S | S | * | * | trans | -64.8 | 90.9 | 162.4 | -91.6 | 0 | 0 | 0 | 0 | 107.3 | A1483 T1487 | A1483-C1485 PolarHBondContact O-N 3.41Å; C1485-T1487 PolarHBondContact O-N 2.93Å | ||
| 1486 | H | 37.3 | Very low | 49.8 | Very low | 163 Ų | 163 | 92 Ų | 92 | 76% | 0.755 | 54% | 0.544 | S | S | * | . | trans | -66.1 | 90.6 | 157 | -68.5 | -72.4 | 0 | 0 | 0 | 106.4 | V1484 E1488 | V1484-H1486 PolarHBondContact O-N 2.63Å; H1486-E1488 PolarHBondContact O-N 2.89Å | ||
| 1487 | T | 46.6 | Very low | 52.4 | Low | 61 Ų | 61 | 87.3 Ų | 87.3 | 37% | 0.374 | 52% | 0.518 | S | S | . | . | trans | -59.1 | 125.4 | 164.1 | 43.9 | 0 | 0 | 0 | 0 | 107.1 | F1458 C1485 | F1458-T1487 HydrophobicContact CE1-CG2 4.49Å; C1485-T1487 PolarHBondContact O-N 2.93Å | ||
| 1488 | E | 53.2 | Low | 55.1 | Low | 128 Ų | 128 | 80.4 Ų | 80.4 | 60% | 0.598 | 48% | 0.482 | S | S | * | . | trans | -55 | 135.2 | 179.7 | -69.3 | -166.7 | 153.3 | 0 | 0 | 109.7 | H1486 C1490 L1491 | H1486-E1488 PolarHBondContact O-N 2.89Å; E1488-C1490 WeakPolarHBondContact CB-SG 3.27Å; E1488-C1490 PolarHBondContact O-N 3.03Å; E1488-C1490 PolarHBondContact OE2-SG 3.07Å; E1488-C1490 VanDerWaalsContact OE2-SG 3.34Å; E1488-L1491 HydrophobicContact CB-CD1 4.36Å; E1488-L1491 PolarHBondContact O-N 2.85Å; E1488-L1491 VanDerWaalsContact O-N 3.11Å | ||
| 1489 | P | 57 | Low | 57.8 | Low | 110 Ų | 110 | 74 Ų | 74 | 71% | 0.714 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -57.9 | -24 | -177.4 | 17.4 | -28.8 | 0 | 0 | 0 | 113.7 | T1492 S1493 | P1489-T1492 PolarHBondContact O-N 3.23Å; P1489-S1493 PolarHBondContact O-N 3.1Å |
| 1490 | C | 57.8 | Low | 60.5 | Low | 62 Ų | 62 | 69.9 Ų | 69.9 | 42% | 0.419 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.8 | -46.6 | 174.5 | 53.7 | 0 | 0 | 0 | 0 | 112.8 | E1488 T1492 S1493 D1494 | E1488-C1490 WeakPolarHBondContact CB-SG 3.27Å; E1488-C1490 PolarHBondContact O-N 3.03Å; E1488-C1490 PolarHBondContact OE2-SG 3.07Å; E1488-C1490 VanDerWaalsContact OE2-SG 3.34Å; C1490-T1492 VanDerWaalsContact C-N 3.26Å; C1490-T1492 PolarHBondContact O-N 3.32Å; C1490-S1493 WeakPolarHBondContact O-CB 3.29Å; C1490-S1493 PolarHBondContact O-N 3.46Å; C1490-S1493 VanDerWaalsContact O-N 3.08Å; C1490-D1494 PolarHBondContact O-N 2.86Å |
| 1491 | L | 63.7 | Low | 63.2 | Low | 60 Ų | 60 | 66.5 Ų | 66.5 | 31% | 0.314 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.6 | -39.3 | 179.7 | -66.2 | 168.4 | 0 | 0 | 0 | 111.1 | Y1346 E1488 S1493 D1494 L1495 | Y1346-L1491 HydrophobicContact CD1-CD2 4.47Å; Y1346-L1491 HydrophobicContact CD2-CB 4.31Å; Y1346-L1491 HydrophobicContact CE1-CD2 3.77Å; Y1346-L1491 HydrophobicContact CE2-CB 3.82Å; Y1346-L1491 HydrophobicContact CE2-CD2 4.29Å; Y1346-L1491 VanDerWaalsContact CE2-O 3.26Å; Y1346-L1491 WeakPolarHBondContact CE2-O 3.49Å; E1488-L1491 HydrophobicContact CB-CD1 4.36Å; E1488-L1491 PolarHBondContact O-N 2.85Å; E1488-L1491 VanDerWaalsContact O-N 3.11Å; L1491-S1493 VanDerWaalsContact C-N 3.31Å; L1491-S1493 PolarHBondContact O-N 3.47Å; L1491-D1494 PolarHBondContact O-N 3.45Å; L1491-L1495 PolarHBondContact O-N 3.1Å; L1491-L1495 VanDerWaalsContact O-N 3.1Å |
| 1492 | T | 71.3 | Confident | 66.3 | Low | 13 Ų | 13 | 60.1 Ų | 60.1 | 8% | 0.08 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.3 | -40.6 | 177.8 | -53.5 | 0 | 0 | 0 | 0 | 111.3 | F1458 P1489 C1490 I1496 | F1458-T1492 HydrophobicContact CB-CG2 3.93Å; F1458-T1492 HydrophobicContact CD1-CG2 4.12Å; P1489-T1492 PolarHBondContact O-N 3.23Å; C1490-T1492 VanDerWaalsContact C-N 3.26Å; C1490-T1492 PolarHBondContact O-N 3.32Å; T1492-I1496 HydrophobicContact CG2-CD1 4Å; T1492-I1496 VanDerWaalsContact O-CG1 3.31Å; T1492-I1496 WeakPolarHBondContact O-CG1 3.49Å; T1492-I1496 PolarHBondContact O-N 3.06Å; T1492-I1496 VanDerWaalsContact O-N 3.09Å |
| 1493 | S | 76.4 | Confident | 69.2 | Low | 30 Ų | 30 | 54.8 Ų | 54.8 | 21% | 0.21 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65 | -45.1 | 177 | -170.4 | 0 | 0 | 0 | 0 | 112.5 | P1489 C1490 L1491 L1495 I1496 E1497 | P1489-S1493 PolarHBondContact O-N 3.1Å; C1490-S1493 WeakPolarHBondContact O-CB 3.29Å; C1490-S1493 PolarHBondContact O-N 3.46Å; C1490-S1493 VanDerWaalsContact O-N 3.08Å; L1491-S1493 VanDerWaalsContact C-N 3.31Å; L1491-S1493 PolarHBondContact O-N 3.47Å; S1493-L1495 VanDerWaalsContact C-N 3.31Å; S1493-L1495 PolarHBondContact O-N 2.8Å; S1493-I1496 PolarHBondContact O-N 3.4Å; S1493-E1497 WeakPolarHBondContact O-CB 3.43Å; S1493-E1497 PolarHBondContact O-N 3.42Å |
| 1494 | D | 80.2 | Confident | 72 | Confident | 78 Ų | 78 | 51.8 Ų | 51.8 | 42% | 0.417 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.1 | -40.8 | 179.6 | -67.2 | -13.1 | 0 | 0 | 0 | 111.4 | C1490 L1491 E1497 L1498 | C1490-D1494 PolarHBondContact O-N 2.86Å; L1491-D1494 PolarHBondContact O-N 3.45Å; D1494-E1497 PolarHBondContact O-N 3.13Å; D1494-L1498 WeakPolarHBondContact O-CB 3.5Å; D1494-L1498 PolarHBondContact O-N 3.26Å |
| 1495 | L | 82.3 | Confident | 74.8 | Confident | 3 Ų | 3 | 48.1 Ų | 48.1 | 2% | 0.016 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.5 | -43.7 | 177.5 | -173.2 | 65.3 | 0 | 0 | 0 | 112 | Y1346 L1349 F1353 F1458 L1491 S1493 E1497 L1498 I1499 | Y1346-L1495 HydrophobicContact CD2-CD2 4.36Å; Y1346-L1495 HydrophobicContact CE2-CB 3.96Å; L1349-L1495 HydrophobicContact CB-CD1 3.96Å; L1349-L1495 HydrophobicContact CB-CD2 4.48Å; L1349-L1495 HydrophobicContact CD1-CD2 4Å; F1353-L1495 HydrophobicContact CD2-CD1 4.25Å; F1458-L1495 HydrophobicContact CE1-CD2 4.35Å; F1458-L1495 HydrophobicContact CE2-CD2 4.3Å; F1458-L1495 HydrophobicContact CZ-CD2 4.18Å; L1491-L1495 PolarHBondContact O-N 3.1Å; L1491-L1495 VanDerWaalsContact O-N 3.1Å; S1493-L1495 VanDerWaalsContact C-N 3.31Å; S1493-L1495 PolarHBondContact O-N 2.8Å; L1495-E1497 VanDerWaalsContact C-N 3.31Å; L1495-E1497 PolarHBondContact O-N 3.36Å; L1495-L1498 PolarHBondContact O-N 3.27Å; L1495-I1499 HydrophobicContact CD1-CD1 4.39Å; L1495-I1499 HydrophobicContact CG-CD1 3.9Å; L1495-I1499 WeakPolarHBondContact O-CD1 3.46Å; L1495-I1499 WeakPolarHBondContact O-CG1 3.31Å; L1495-I1499 PolarHBondContact O-N 3.04Å |
| 1496 | I | 85.2 | Confident | 77.6 | Confident | 5 Ų | 5 | 42.8 Ų | 42.8 | 3% | 0.026 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62 | -41.9 | 176.3 | -70.1 | 168.8 | 0 | 0 | 0 | 110.4 | T1492 S1493 I1499 A1500 Y1560 F1564 | T1492-I1496 HydrophobicContact CG2-CD1 4Å; T1492-I1496 VanDerWaalsContact O-CG1 3.31Å; T1492-I1496 WeakPolarHBondContact O-CG1 3.49Å; T1492-I1496 PolarHBondContact O-N 3.06Å; T1492-I1496 VanDerWaalsContact O-N 3.09Å; S1493-I1496 PolarHBondContact O-N 3.4Å; I1496-I1499 PolarHBondContact O-N 3.14Å; I1496-A1500 WeakPolarHBondContact O-CB 3.18Å; I1496-A1500 PolarHBondContact O-N 2.89Å; I1496-Y1560 HydrophobicContact CB-CE1 4.31Å; I1496-Y1560 HydrophobicContact CD1-CD1 4.43Å; I1496-Y1560 HydrophobicContact CD1-CE1 3.67Å; I1496-Y1560 HydrophobicContact CG2-CD1 4.09Å; I1496-Y1560 HydrophobicContact CG2-CE1 4.23Å; I1496-F1564 HydrophobicContact CG2-CE2 3.84Å; I1496-F1564 HydrophobicContact CG2-CZ 3.89Å |
| 1497 | E | 88.4 | Confident | 80.1 | Confident | 64 Ų | 64 | 35 Ų | 35 | 30% | 0.299 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -61 | -47.2 | 175.2 | -174.3 | 174.8 | 179.1 | 0 | 0 | 111.5 | S1493 D1494 L1495 I1499 A1500 Q1501 I1563 | S1493-E1497 WeakPolarHBondContact O-CB 3.43Å; S1493-E1497 PolarHBondContact O-N 3.42Å; D1494-E1497 PolarHBondContact O-N 3.13Å; L1495-E1497 VanDerWaalsContact C-N 3.31Å; L1495-E1497 PolarHBondContact O-N 3.36Å; E1497-I1499 VanDerWaalsContact C-N 3.35Å; E1497-I1499 PolarHBondContact O-N 2.98Å; E1497-A1500 PolarHBondContact O-N 3.29Å; E1497-Q1501 HydrophobicContact CG-CG 4.4Å; E1497-Q1501 WeakPolarHBondContact O-CB 3.22Å; E1497-Q1501 VanDerWaalsContact O-CG 3.28Å; E1497-Q1501 WeakPolarHBondContact O-CG 3.24Å; E1497-Q1501 PolarHBondContact O-N 2.97Å; E1497-Q1501 PolarHBondContact OE1-NE2 3.34Å; E1497-I1563 HydrophobicContact CB-CD1 3.96Å; E1497-I1563 HydrophobicContact CB-CG1 4.24Å; E1497-I1563 HydrophobicContact CB-CG2 4.2Å; E1497-I1563 HydrophobicContact CG-CD1 4.44Å; E1497-I1563 HydrophobicContact CG-CG1 4.2Å; E1497-I1563 HydrophobicContact CG-CG2 4.23Å |
| 1498 | L | 89.3 | Confident | 82 | Confident | 21 Ų | 21 | 34.5 Ų | 34.5 | 11% | 0.11 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.4 | -42.6 | 177.8 | -178.9 | 63.7 | 0 | 0 | 0 | 112.1 | H1350 F1353 D1494 L1495 Q1501 C1502 | H1350-L1498 HydrophobicContact CB-CD2 4.47Å; F1353-L1498 HydrophobicContact CB-CD2 3.74Å; F1353-L1498 HydrophobicContact CB-CG 3.82Å; D1494-L1498 WeakPolarHBondContact O-CB 3.5Å; D1494-L1498 PolarHBondContact O-N 3.26Å; L1495-L1498 PolarHBondContact O-N 3.27Å; L1498-Q1501 PolarHBondContact O-N 3.26Å; L1498-C1502 WeakPolarHBondContact O-CB 3.37Å; L1498-C1502 PolarHBondContact O-N 3.08Å |
| 1499 | I | 91.1 | Very high | 83.5 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.4 | -43.7 | 177.1 | -65.8 | 158.1 | 0 | 0 | 0 | 110.6 | F1353 I1454 L1495 I1496 E1497 Q1501 C1502 L1503 L1548 | F1353-I1499 HydrophobicContact CD1-CG1 4.13Å; F1353-I1499 HydrophobicContact CD2-CD1 4.46Å; F1353-I1499 HydrophobicContact CD2-CG1 3.77Å; F1353-I1499 HydrophobicContact CE1-CG1 3.96Å; F1353-I1499 HydrophobicContact CE1-CG2 4.45Å; F1353-I1499 HydrophobicContact CE2-CD1 3.98Å; F1353-I1499 HydrophobicContact CE2-CG1 3.62Å; F1353-I1499 HydrophobicContact CG-CG1 4.06Å; F1353-I1499 HydrophobicContact CZ-CD1 4.2Å; F1353-I1499 HydrophobicContact CZ-CG1 3.73Å; I1454-I1499 HydrophobicContact CD1-CD1 3.4Å; I1454-I1499 HydrophobicContact CD1-CG1 4.46Å; I1454-I1499 HydrophobicContact CG1-CD1 4.18Å; L1495-I1499 HydrophobicContact CD1-CD1 4.39Å; L1495-I1499 HydrophobicContact CG-CD1 3.9Å; L1495-I1499 WeakPolarHBondContact O-CD1 3.46Å; L1495-I1499 WeakPolarHBondContact O-CG1 3.31Å; L1495-I1499 PolarHBondContact O-N 3.04Å; I1496-I1499 PolarHBondContact O-N 3.14Å; E1497-I1499 VanDerWaalsContact C-N 3.35Å; E1497-I1499 PolarHBondContact O-N 2.98Å; I1499-Q1501 VanDerWaalsContact C-N 3.35Å; I1499-Q1501 PolarHBondContact O-N 3.35Å; I1499-C1502 WeakPolarHBondContact O-CB 3.31Å; I1499-C1502 PolarHBondContact O-N 2.96Å; I1499-L1503 HydrophobicContact CG2-CD1 4.08Å; I1499-L1503 HydrophobicContact CG2-CG 4.46Å; I1499-L1503 PolarHBondContact O-N 2.88Å; I1499-L1548 HydrophobicContact CG2-CD1 3.64Å |
| 1500 | A | 91.6 | Very high | 85 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.1 | -41 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | I1496 E1497 T1504 L1545 I1563 N1567 | I1496-A1500 WeakPolarHBondContact O-CB 3.18Å; I1496-A1500 PolarHBondContact O-N 2.89Å; E1497-A1500 PolarHBondContact O-N 3.29Å; A1500-T1504 WeakPolarHBondContact O-CB 3.26Å; A1500-T1504 PolarHBondContact O-N 3.24Å; A1500-T1504 PolarHBondContact O-OG1 2.66Å; A1500-L1545 HydrophobicContact CB-CD1 3.63Å; A1500-I1563 HydrophobicContact CB-CG2 3.79Å; A1500-N1567 WeakPolarHBondContact CB-ND2 3.19Å |
| 1501 | Q | 91.4 | Very high | 86.1 | Confident | 79 Ų | 79 | 26.6 Ų | 26.6 | 37% | 0.369 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -64.6 | -43.1 | 172.6 | -71 | 177.3 | 9.5 | 0 | 0 | 111.4 | E1497 L1498 I1499 T1504 G1505 | E1497-Q1501 HydrophobicContact CG-CG 4.4Å; E1497-Q1501 WeakPolarHBondContact O-CB 3.22Å; E1497-Q1501 VanDerWaalsContact O-CG 3.28Å; E1497-Q1501 WeakPolarHBondContact O-CG 3.24Å; E1497-Q1501 PolarHBondContact O-N 2.97Å; E1497-Q1501 PolarHBondContact OE1-NE2 3.34Å; L1498-Q1501 PolarHBondContact O-N 3.26Å; I1499-Q1501 VanDerWaalsContact C-N 3.35Å; I1499-Q1501 PolarHBondContact O-N 3.35Å; Q1501-T1504 PolarHBondContact O-N 2.9Å; Q1501-G1505 PolarHBondContact O-N 2.88Å |
| 1502 | C | 93.6 | Very high | 87.1 | Confident | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.007 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.3 | -48.5 | 177.2 | -175.6 | 0 | 0 | 0 | 0 | 111.6 | F1353 F1356 H1360 L1498 I1499 T1504 G1505 F1506 | F1353-C1502 HydrophobicContact CD1-CB 4.35Å; F1356-C1502 VanDerWaalsContact CB-SG 3.59Å; H1360-C1502 PolarHBondContact CE1-O 3.49Å; H1360-C1502 PolarHBondContact ND1-O 3.01Å; L1498-C1502 WeakPolarHBondContact O-CB 3.37Å; L1498-C1502 PolarHBondContact O-N 3.08Å; I1499-C1502 WeakPolarHBondContact O-CB 3.31Å; I1499-C1502 PolarHBondContact O-N 2.96Å; C1502-T1504 VanDerWaalsContact C-N 3.3Å; C1502-T1504 PolarHBondContact O-N 3.07Å; C1502-G1505 PolarHBondContact O-N 2.72Å; C1502-F1506 WeakPolarHBondContact O-CB 3.32Å; C1502-F1506 PolarHBondContact O-N 3.48Å |
| 1503 | L | 95.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.1 | -35.8 | 177.3 | -72.7 | 172.2 | 0 | 0 | 0 | 112.1 | L1443 I1446 I1499 F1506 A1507 A1541 L1544 L1545 L1548 M1571 | L1443-L1503 HydrophobicContact CD2-CD2 4.2Å; I1446-L1503 HydrophobicContact CD1-CD2 4.25Å; I1446-L1503 HydrophobicContact CG2-CD2 4.13Å; I1499-L1503 HydrophobicContact CG2-CD1 4.08Å; I1499-L1503 HydrophobicContact CG2-CG 4.46Å; I1499-L1503 PolarHBondContact O-N 2.88Å; L1503-F1506 WeakPolarHBondContact O-CB 3.35Å; L1503-F1506 PolarHBondContact O-N 3.03Å; L1503-A1507 PolarHBondContact O-N 2.9Å; L1503-A1507 VanDerWaalsContact O-N 3.1Å; L1503-A1541 HydrophobicContact CD2-CB 4.17Å; L1503-L1544 HydrophobicContact CD1-CB 4.2Å; L1503-L1545 HydrophobicContact CD1-CB 3.97Å; L1503-L1545 HydrophobicContact CD1-CD1 4.38Å; L1503-L1548 HydrophobicContact CD1-CD1 4.45Å; L1503-M1571 HydrophobicContact CB-CE 3.93Å; L1503-M1571 VanDerWaalsContact O-CE 3.24Å; L1503-M1571 WeakPolarHBondContact O-CE 3.32Å |
| 1504 | T | 92.3 | Very high | 88.1 | Confident | 12 Ų | 12 | 23.1 Ų | 23.1 | 7% | 0.074 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -68.8 | -45.1 | 176.3 | -54.8 | 0 | 0 | 0 | 0 | 111.6 | A1500 Q1501 C1502 F1506 A1507 V1508 N1567 N1570 M1571 | A1500-T1504 WeakPolarHBondContact O-CB 3.26Å; A1500-T1504 PolarHBondContact O-N 3.24Å; A1500-T1504 PolarHBondContact O-OG1 2.66Å; Q1501-T1504 PolarHBondContact O-N 2.9Å; C1502-T1504 VanDerWaalsContact C-N 3.3Å; C1502-T1504 PolarHBondContact O-N 3.07Å; T1504-F1506 VanDerWaalsContact C-N 3.3Å; T1504-F1506 PolarHBondContact O-N 3.47Å; T1504-A1507 PolarHBondContact O-N 3.01Å; T1504-V1508 HydrophobicContact CG2-CG2 4.34Å; T1504-V1508 WeakPolarHBondContact O-CB 3.29Å; T1504-V1508 WeakPolarHBondContact O-CG2 3.44Å; T1504-V1508 PolarHBondContact O-N 2.69Å; T1504-N1567 HydrophobicContact CG2-CB 4.49Å; T1504-N1567 WeakPolarHBondContact OG1-CB 3.47Å; T1504-N1567 VanDerWaalsContact OG1-CG 3.3Å; T1504-N1567 PolarHBondContact OG1-OD1 2.84Å; T1504-N1570 HydrophobicContact CG2-CB 3.79Å; T1504-M1571 VanDerWaalsContact CA-CE 3.45Å; T1504-M1571 HydrophobicContact CG2-CG 4.3Å |
| 1505 | G | 90.6 | Very high | 87.8 | Confident | 8 Ų | 8 | 19.8 Ų | 19.8 | 8% | 0.082 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -58 | -43.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q1501 C1502 A1507 V1508 E1509 | Q1501-G1505 PolarHBondContact O-N 2.88Å; C1502-G1505 PolarHBondContact O-N 2.72Å; G1505-A1507 VanDerWaalsContact C-N 3.33Å; G1505-A1507 PolarHBondContact O-N 3.49Å; G1505-V1508 PolarHBondContact O-N 3.15Å; G1505-E1509 WeakPolarHBondContact O-CA 3.1Å; G1505-E1509 VanDerWaalsContact O-CB 3.26Å; G1505-E1509 WeakPolarHBondContact O-CB 3.27Å; G1505-E1509 PolarHBondContact O-N 3.34Å |
| 1506 | F | 94.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -55.2 | -49.1 | 175.2 | 179.8 | -83.1 | 0 | 0 | 0 | 111.2 | H1360 S1439 E1442 L1443 C1502 L1503 T1504 Q1510 L1513 M1537 A1541 | H1360-F1506 PolarHBondContact CE1-N 2.85Å; H1360-F1506 PolarHBondContact ND1-N 3.23Å; H1360-F1506 VanDerWaalsContact ND1-N 3.1Å; H1360-F1506 AromaticContact NE2-CD2 4Å; S1439-F1506 WeakPolarHBondContact O-CE2 3.25Å; E1442-F1506 HydrophobicContact CB-CE2 4.43Å; L1443-F1506 HydrophobicContact CD1-CE1 3.55Å; L1443-F1506 HydrophobicContact CD1-CE2 4.35Å; L1443-F1506 HydrophobicContact CD1-CZ 3.44Å; L1443-F1506 VanDerWaalsContact CD1-CZ 3.44Å; L1443-F1506 HydrophobicContact CD2-CD1 4.09Å; L1443-F1506 HydrophobicContact CD2-CD2 4.35Å; L1443-F1506 HydrophobicContact CD2-CE1 3.86Å; L1443-F1506 HydrophobicContact CD2-CE2 4.1Å; L1443-F1506 HydrophobicContact CD2-CG 4.34Å; L1443-F1506 HydrophobicContact CD2-CZ 3.87Å; L1443-F1506 HydrophobicContact CG-CD1 4.48Å; L1443-F1506 HydrophobicContact CG-CE1 3.79Å; L1443-F1506 HydrophobicContact CG-CE2 3.8Å; L1443-F1506 HydrophobicContact CG-CZ 3.38Å; C1502-F1506 WeakPolarHBondContact O-CB 3.32Å; C1502-F1506 PolarHBondContact O-N 3.48Å; L1503-F1506 WeakPolarHBondContact O-CB 3.35Å; L1503-F1506 PolarHBondContact O-N 3.03Å; T1504-F1506 VanDerWaalsContact C-N 3.3Å; T1504-F1506 PolarHBondContact O-N 3.47Å; F1506-Q1510 WeakPolarHBondContact O-CB 3.31Å; F1506-Q1510 WeakPolarHBondContact O-CG 3.21Å; F1506-L1513 HydrophobicContact CD1-CD1 3.91Å; F1506-L1513 HydrophobicContact CE1-CD1 3.42Å; F1506-L1513 VanDerWaalsContact CE1-CD1 3.42Å; F1506-L1513 HydrophobicContact CE2-CD1 4.42Å; F1506-L1513 HydrophobicContact CZ-CD1 3.72Å; F1506-L1513 WeakPolarHBondContact O-CD1 3.03Å; F1506-M1537 HydrophobicContact CE1-CB 4.13Å; F1506-M1537 HydrophobicContact CZ-CB 4.27Å; F1506-A1541 HydrophobicContact CD1-CB 3.7Å; F1506-A1541 HydrophobicContact CE1-CB 4.16Å |
| 1507 | A | 89.9 | Confident | 86.6 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -73.8 | -36.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | L1503 T1504 G1505 R1538 M1571 L1574 | L1503-A1507 PolarHBondContact O-N 2.9Å; L1503-A1507 VanDerWaalsContact O-N 3.1Å; T1504-A1507 PolarHBondContact O-N 3.01Å; G1505-A1507 VanDerWaalsContact C-N 3.33Å; G1505-A1507 PolarHBondContact O-N 3.49Å; A1507-R1538 HydrophobicContact CB-CB 4.29Å; A1507-M1571 HydrophobicContact CB-CE 4.34Å; A1507-M1571 HydrophobicContact CB-CG 4.11Å; A1507-L1574 HydrophobicContact CB-CD1 4.12Å |
| 1508 | V | 87.9 | Confident | 85.8 | Confident | 51 Ų | 51 | 23.2 Ų | 23.2 | 31% | 0.309 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -102.5 | -35.8 | -168 | -178.6 | 0 | 0 | 0 | 0 | 113.3 | T1504 G1505 | T1504-V1508 HydrophobicContact CG2-CG2 4.34Å; T1504-V1508 WeakPolarHBondContact O-CB 3.29Å; T1504-V1508 WeakPolarHBondContact O-CG2 3.44Å; T1504-V1508 PolarHBondContact O-N 2.69Å; G1505-V1508 PolarHBondContact O-N 3.15Å |
| 1509 | E | 84.3 | Confident | 84.9 | Confident | 92 Ų | 92 | 23.8 Ų | 23.8 | 43% | 0.43 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -88.8 | -24.5 | -173.2 | -58.7 | -174.9 | 153.6 | 0 | 0 | 113 | H1360 L1361 G1505 A1511 | H1360-E1509 HydrophobicContact CB-CB 4.45Å; L1361-E1509 WeakPolarHBondContact CD2-OE2 2.94Å; L1361-E1509 WeakPolarHBondContact CG-OE2 3.37Å; G1505-E1509 WeakPolarHBondContact O-CA 3.1Å; G1505-E1509 VanDerWaalsContact O-CB 3.26Å; G1505-E1509 WeakPolarHBondContact O-CB 3.27Å; G1505-E1509 PolarHBondContact O-N 3.34Å; E1509-A1511 PolarHBondContact O-N 3.38Å; E1509-A1511 VanDerWaalsContact O-N 3.13Å |
| 1510 | Q | 87.3 | Confident | 83.7 | Confident | 12 Ų | 12 | 24.4 Ų | 24.4 | 6% | 0.056 | 14% | 0.138 | C | C | . | . | trans | -80.7 | 94.3 | -177.5 | -64.9 | -165.4 | -3.3 | 0 | 0 | 112.7 | H1360 S1439 F1506 H1512 L1513 | H1360-Q1510 HydrophobicContact CB-CG 4.3Å; H1360-Q1510 PolarHBondContact CD2-NE2 3.21Å; H1360-Q1510 PolarHBondContact NE2-NE2 3.42Å; S1439-Q1510 PolarHBondContact OG-OE1 3.34Å; F1506-Q1510 WeakPolarHBondContact O-CB 3.31Å; F1506-Q1510 WeakPolarHBondContact O-CG 3.21Å; Q1510-H1512 VanDerWaalsContact C-N 3.28Å; Q1510-H1512 PolarHBondContact O-N 3.16Å; Q1510-H1512 PolarHBondContact OE1-CE1 3.41Å; Q1510-H1512 PolarHBondContact OE1-NE2 3.42Å; Q1510-L1513 HydrophobicContact CB-CD1 3.91Å; Q1510-L1513 HydrophobicContact CB-CG 3.93Å; Q1510-L1513 WeakPolarHBondContact O-CB 3.27Å; Q1510-L1513 PolarHBondContact O-N 2.88Å; Q1510-L1513 VanDerWaalsContact OE1-CD1 3.31Å | ||
| 1511 | A | 81.5 | Confident | 82.6 | Confident | 29 Ų | 29 | 24.9 Ų | 24.9 | 24% | 0.24 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -55.6 | -35.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | P1368 F1370 E1509 L1513 C1514 | P1368-A1511 HydrophobicContact CG-CB 4.45Å; F1370-A1511 HydrophobicContact CD2-CB 4.13Å; F1370-A1511 VanDerWaalsContact CE2-O 3.28Å; F1370-A1511 WeakPolarHBondContact CE2-O 3.34Å; E1509-A1511 PolarHBondContact O-N 3.38Å; E1509-A1511 VanDerWaalsContact O-N 3.13Å; A1511-L1513 PolarHBondContact O-N 3.4Å; A1511-C1514 WeakPolarHBondContact O-CB 3.26Å; A1511-C1514 PolarHBondContact O-N 2.91Å; A1511-C1514 VanDerWaalsContact O-N 3.14Å |
| 1512 | H | 84.3 | Confident | 81.7 | Confident | 5 Ų | 5 | 21.3 Ų | 21.3 | 2% | 0.023 | 13% | 0.125 | C | C | . | . | G | 310 helix | trans | -68.4 | -15 | -179.9 | 58.4 | -81.1 | 0 | 0 | 0 | 114 | P1368 I1432 L1435 S1439 Q1510 C1514 | P1368-H1512 HydrophobicContact CG-CB 4.08Å; I1432-H1512 HydrophobicContact CG2-CB 4.14Å; L1435-H1512 HydrophobicContact CB-CB 4.24Å; L1435-H1512 HydrophobicContact CD1-CB 4.21Å; L1435-H1512 PolarHBondContact O-NE2 3.39Å; S1439-H1512 PolarHBondContact OG-NE2 3.46Å; Q1510-H1512 VanDerWaalsContact C-N 3.28Å; Q1510-H1512 PolarHBondContact O-N 3.16Å; Q1510-H1512 PolarHBondContact OE1-CE1 3.41Å; Q1510-H1512 PolarHBondContact OE1-NE2 3.42Å; H1512-C1514 VanDerWaalsContact C-N 3.34Å |
| 1513 | L | 87.5 | Confident | 80.8 | Confident | 2 Ų | 2 | 22.1 Ų | 22.1 | 1% | 0.01 | 13% | 0.128 | C | C | . | . | G | 310 helix | trans | -82.9 | -10.3 | 173.9 | -59.6 | -173.7 | 0 | 0 | 0 | 113.1 | F1506 Q1510 A1511 V1515 M1537 R1538 | F1506-L1513 HydrophobicContact CD1-CD1 3.91Å; F1506-L1513 HydrophobicContact CE1-CD1 3.42Å; F1506-L1513 VanDerWaalsContact CE1-CD1 3.42Å; F1506-L1513 HydrophobicContact CE2-CD1 4.42Å; F1506-L1513 HydrophobicContact CZ-CD1 3.72Å; F1506-L1513 WeakPolarHBondContact O-CD1 3.03Å; Q1510-L1513 HydrophobicContact CB-CD1 3.91Å; Q1510-L1513 HydrophobicContact CB-CG 3.93Å; Q1510-L1513 WeakPolarHBondContact O-CB 3.27Å; Q1510-L1513 PolarHBondContact O-N 2.88Å; Q1510-L1513 VanDerWaalsContact OE1-CD1 3.31Å; A1511-L1513 PolarHBondContact O-N 3.4Å; L1513-V1515 PolarHBondContact O-N 3.25Å; L1513-M1537 HydrophobicContact CD2-CB 4.44Å; L1513-M1537 HydrophobicContact CD2-CE 3.45Å; L1513-M1537 VanDerWaalsContact CD2-CE 3.45Å; L1513-M1537 HydrophobicContact CD2-SD 4.17Å; L1513-R1538 HydrophobicContact CB-CG 3.84Å; L1513-R1538 HydrophobicContact CD1-CG 4.07Å; L1513-R1538 PolarHBondContact O-NE 3.14Å; L1513-R1538 VanDerWaalsContact O-NE 3.09Å; L1513-R1538 PolarHBondContact O-NH2 2.93Å |
| 1514 | C | 81.3 | Confident | 79.5 | Confident | 24 Ų | 24 | 23.9 Ų | 23.9 | 16% | 0.162 | 14% | 0.137 | C | C | . | . | trans | -75.4 | 61.2 | 172.4 | -62.2 | 0 | 0 | 0 | 0 | 111.2 | A1511 H1512 E1516 V1517 | A1511-C1514 WeakPolarHBondContact O-CB 3.26Å; A1511-C1514 PolarHBondContact O-N 2.91Å; A1511-C1514 VanDerWaalsContact O-N 3.14Å; H1512-C1514 VanDerWaalsContact C-N 3.34Å; C1514-E1516 PolarHBondContact O-N 3.43Å; C1514-V1517 HydrophobicContact CB-CG2 4.2Å; C1514-V1517 PolarHBondContact O-N 2.87Å | ||
| 1515 | V | 75.4 | Confident | 78.5 | Confident | 8 Ų | 8 | 24.8 Ų | 24.8 | 5% | 0.048 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -25.8 | -173.8 | -66 | 0 | 0 | 0 | 0 | 113.1 | L1513 V1517 V1518 R1523 I1526 D1527 | L1513-V1515 PolarHBondContact O-N 3.25Å; V1515-V1517 VanDerWaalsContact C-N 3.27Å; V1515-V1517 PolarHBondContact O-N 3.4Å; V1515-V1518 PolarHBondContact O-N 2.92Å; V1515-R1523 HydrophobicContact CB-CG 4.29Å; V1515-R1523 VanDerWaalsContact O-CD 3.25Å; V1515-R1523 WeakPolarHBondContact O-CD 3.35Å; V1515-I1526 HydrophobicContact CG1-CD1 4.11Å; V1515-I1526 HydrophobicContact CG1-CG1 4.18Å; V1515-D1527 HydrophobicContact CB-CB 4.34Å; V1515-D1527 HydrophobicContact CG1-CB 4.34Å |
| 1516 | E | 71.7 | Confident | 77.7 | Confident | 54 Ų | 54 | 24.5 Ų | 24.5 | 25% | 0.252 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -19.5 | 175.3 | 66.2 | -82 | -170.4 | 0 | 0 | 114.6 | C1514 R1538 P1575 | C1514-E1516 PolarHBondContact O-N 3.43Å; E1516-R1538 IonicContact OE1-CZ 3.21Å; E1516-R1538 IonicContact OE1-NH1 3.13Å; E1516-R1538 PolarHBondContact OE1-NH1 2.94Å; E1516-R1538 IonicContact OE1-NH2 2.61Å; E1516-R1538 IonicContact OE2-CZ 3.68Å; E1516-R1538 IonicContact OE2-NH1 3.74Å; E1516-R1538 PolarHBondContact OE2-NH1 3.29Å; E1516-R1538 VanDerWaalsContact OE2-NH1 3.12Å; E1516-R1538 IonicContact OE2-NH2 2.94Å; E1516-R1538 PolarHBondContact OE2-NH2 3.48Å; E1516-P1575 HydrophobicContact CG-CG 4.22Å; E1516-P1575 WeakPolarHBondContact OE1-CG 3.48Å |
| 1517 | V | 70.8 | Confident | 76.7 | Confident | 82 Ų | 82 | 24.8 Ų | 24.8 | 50% | 0.497 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -13.3 | 178.1 | -163.2 | 0 | 0 | 0 | 0 | 111.6 | F1370 C1514 V1515 | F1370-V1517 HydrophobicContact CD1-CB 4.1Å; F1370-V1517 HydrophobicContact CD1-CG1 3.46Å; F1370-V1517 VanDerWaalsContact CD1-CG1 3.46Å; F1370-V1517 HydrophobicContact CE1-CB 3.95Å; F1370-V1517 HydrophobicContact CE1-CG1 3.66Å; F1370-V1517 HydrophobicContact CG-CB 4.49Å; F1370-V1517 HydrophobicContact CG-CG1 4.06Å; F1370-V1517 HydrophobicContact CZ-CB 4.19Å; F1370-V1517 HydrophobicContact CZ-CG1 4.38Å; C1514-V1517 HydrophobicContact CB-CG2 4.2Å; C1514-V1517 PolarHBondContact O-N 2.87Å; V1515-V1517 VanDerWaalsContact C-N 3.27Å; V1515-V1517 PolarHBondContact O-N 3.4Å |
| 1518 | V | 70.7 | Confident | 75.6 | Confident | 7 Ų | 7 | 26.1 Ų | 26.1 | 4% | 0.042 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -74 | 143 | 179.3 | 176.1 | 0 | 0 | 0 | 0 | 109.7 | F1370 I1432 V1515 T1522 I1526 | F1370-V1518 HydrophobicContact CE2-CG2 4.42Å; F1370-V1518 HydrophobicContact CZ-CG2 3.81Å; I1432-V1518 HydrophobicContact CD1-CG1 4.26Å; I1432-V1518 HydrophobicContact CD1-CG2 4.39Å; V1515-V1518 PolarHBondContact O-N 2.92Å; V1518-T1522 VanDerWaalsContact CG1-CB 3.49Å; V1518-T1522 HydrophobicContact CG1-CG2 3.62Å; V1518-I1526 HydrophobicContact CG1-CD1 4.02Å; V1518-I1526 HydrophobicContact CG2-CD1 4.23Å |
| 1519 | P | 69.9 | Low | 74.4 | Confident | 34 Ų | 34 | 25.9 Ų | 25.9 | 22% | 0.221 | 14% | 0.144 | C | C | . | . | trans | -52.9 | 145.2 | 176 | -28 | 35.4 | 0 | 0 | 0 | 113.1 | M82 V1521 T1522 R1523 | M82-P1519 HydrophobicContact CG-CB 3.98Å; M82-P1519 HydrophobicContact SD-CB 3.45Å; M82-P1519 WeakPolarHBondContact SD-CB 3.36Å; M82-P1519 HydrophobicContact SD-CG 4Å; P1519-V1521 VanDerWaalsContact C-N 3.28Å; P1519-V1521 PolarHBondContact O-N 3.16Å; P1519-V1521 VanDerWaalsContact O-N 3.13Å; P1519-T1522 PolarHBondContact O-N 2.95Å; P1519-R1523 PolarHBondContact O-N 3.45Å | ||
| 1520 | P | 65.6 | Low | 73.3 | Confident | 13 Ų | 13 | 22.3 Ų | 22.3 | 8% | 0.084 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -51.4 | -44 | -172.1 | -24.9 | 29.8 | 0 | 0 | 0 | 113.8 | W13 M51 C54 T1522 R1523 I1524 | W13-P1520 HydrophobicContact CH2-CB 4.37Å; M51-P1520 HydrophobicContact CG-CG 4.26Å; M51-P1520 WeakPolarHBondContact O-CG 3.33Å; C54-P1520 WeakPolarHBondContact SG-CB 3.2Å; C54-P1520 WeakPolarHBondContact SG-CG 3.39Å; P1520-T1522 PolarHBondContact O-N 3.18Å; P1520-R1523 PolarHBondContact O-N 3.45Å; P1520-I1524 WeakPolarHBondContact O-CD1 3.43Å; P1520-I1524 WeakPolarHBondContact O-CG1 2.93Å; P1520-I1524 PolarHBondContact O-N 2.86Å |
| 1521 | V | 69 | Low | 71.8 | Confident | 10 Ų | 10 | 25.2 Ų | 25.2 | 6% | 0.061 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.9 | -42.2 | -178.8 | -176.6 | 0 | 0 | 0 | 0 | 111.9 | A78 E79 I148 P1519 R1525 | A78-V1521 HydrophobicContact CB-CG2 3.55Å; A78-V1521 WeakPolarHBondContact O-CG2 3.26Å; E79-V1521 HydrophobicContact CG-CG1 3.81Å; I148-V1521 HydrophobicContact CD1-CG1 4.22Å; P1519-V1521 VanDerWaalsContact C-N 3.28Å; P1519-V1521 PolarHBondContact O-N 3.16Å; P1519-V1521 VanDerWaalsContact O-N 3.13Å; V1521-R1525 WeakPolarHBondContact O-CG 3.47Å |
| 1522 | T | 73.2 | Confident | 70.3 | Confident | 3 Ų | 3 | 27.7 Ų | 27.7 | 2% | 0.018 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -73 | -38 | 177.6 | -49.5 | 0 | 0 | 0 | 0 | 110.5 | P146 I1432 V1518 P1519 P1520 R1525 I1526 | P146-T1522 HydrophobicContact CG-CG2 4.11Å; I1432-T1522 HydrophobicContact CD1-CG2 4.19Å; V1518-T1522 VanDerWaalsContact CG1-CB 3.49Å; V1518-T1522 HydrophobicContact CG1-CG2 3.62Å; P1519-T1522 PolarHBondContact O-N 2.95Å; P1520-T1522 PolarHBondContact O-N 3.18Å; T1522-R1525 PolarHBondContact O-N 2.7Å; T1522-I1526 HydrophobicContact CG2-CD1 4.48Å; T1522-I1526 WeakPolarHBondContact O-CG1 3.27Å; T1522-I1526 PolarHBondContact O-N 3.46Å |
| 1523 | R | 73.5 | Confident | 68.9 | Low | 18 Ų | 18 | 33.6 Ų | 33.6 | 7% | 0.068 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.3 | -48.8 | 177.1 | -174.9 | -179.5 | -179.4 | 179.7 | -5.7 | 112.1 | C54 V1515 P1519 P1520 R1525 I1526 D1527 L1530 | C54-R1523 PolarHBondContact O-NH1 3.09Å; V1515-R1523 HydrophobicContact CB-CG 4.29Å; V1515-R1523 VanDerWaalsContact O-CD 3.25Å; V1515-R1523 WeakPolarHBondContact O-CD 3.35Å; P1519-R1523 PolarHBondContact O-N 3.45Å; P1520-R1523 PolarHBondContact O-N 3.45Å; R1523-R1525 PolarHBondContact O-N 3.07Å; R1523-I1526 PolarHBondContact O-N 3.45Å; R1523-D1527 HydrophobicContact CG-CB 3.76Å; R1523-D1527 IonicContact CZ-OD2 3.96Å; R1523-D1527 IonicContact NE-OD2 3.53Å; R1523-D1527 PolarHBondContact NE-OD2 3.09Å; R1523-D1527 IonicContact NH2-OD2 3.15Å; R1523-D1527 PolarHBondContact NH2-OD2 2.66Å; R1523-D1527 WeakPolarHBondContact O-CA 3.22Å; R1523-D1527 WeakPolarHBondContact O-CB 3.43Å; R1523-D1527 PolarHBondContact O-N 3.28Å; R1523-L1530 HydrophobicContact CG-CD1 4.43Å |
| 1524 | I | 69.3 | Low | 67.6 | Low | 38 Ų | 38 | 35.3 Ų | 35.3 | 20% | 0.195 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -53.6 | -27.7 | 179.5 | -70 | 158.6 | 0 | 0 | 0 | 112.7 | W13 F37 F49 P1520 L1530 | W13-I1524 HydrophobicContact CH2-CD1 4.14Å; W13-I1524 HydrophobicContact CZ2-CD1 3.36Å; F37-I1524 HydrophobicContact CD1-CD1 4.19Å; F37-I1524 HydrophobicContact CD1-CG1 4.33Å; F37-I1524 HydrophobicContact CD2-CD1 3.74Å; F37-I1524 HydrophobicContact CE1-CD1 4.06Å; F37-I1524 HydrophobicContact CE1-CG1 4.01Å; F37-I1524 HydrophobicContact CE1-CG2 4.09Å; F37-I1524 HydrophobicContact CE2-CD1 3.58Å; F37-I1524 HydrophobicContact CE2-CG1 4.35Å; F37-I1524 HydrophobicContact CE2-CG2 4.31Å; F37-I1524 HydrophobicContact CG-CD1 4Å; F37-I1524 HydrophobicContact CZ-CB 4.48Å; F37-I1524 HydrophobicContact CZ-CD1 3.75Å; F37-I1524 HydrophobicContact CZ-CG1 4Å; F37-I1524 HydrophobicContact CZ-CG2 3.59Å; F49-I1524 HydrophobicContact CZ-CD1 4Å; F49-I1524 HydrophobicContact CZ-CG1 3.91Å; P1520-I1524 WeakPolarHBondContact O-CD1 3.43Å; P1520-I1524 WeakPolarHBondContact O-CG1 2.93Å; P1520-I1524 PolarHBondContact O-N 2.86Å; I1524-L1530 HydrophobicContact CG1-CD1 4.24Å |
| 1525 | R | 71.4 | Confident | 67.1 | Low | 31 Ų | 31 | 38.2 Ų | 38.2 | 12% | 0.117 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -90 | -30.1 | -174.6 | -63.4 | 178.9 | 63.4 | -131.7 | -5.5 | 114 | I149 I157 E1433 V1521 T1522 R1523 | I149-R1525 PolarHBondContact O-NH2 3.36Å; I157-R1525 PolarHBondContact O-NH2 3Å; E1433-R1525 IonicContact OE1-CZ 3.4Å; E1433-R1525 IonicContact OE1-NH1 2.73Å; E1433-R1525 PolarHBondContact OE1-NH1 3.04Å; E1433-R1525 IonicContact OE1-NH2 3.82Å; E1433-R1525 PolarHBondContact OE1-NH2 3.03Å; E1433-R1525 IonicContact OE2-NH2 3.67Å; V1521-R1525 WeakPolarHBondContact O-CG 3.47Å; T1522-R1525 PolarHBondContact O-N 2.7Å; R1523-R1525 PolarHBondContact O-N 3.07Å |
| 1526 | I | 73.1 | Confident | 67.4 | Low | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -104.9 | -26.6 | -176.4 | 68.1 | -177 | 0 | 0 | 0 | 112.6 | Y160 I1432 T1436 V1515 V1518 T1522 R1523 Q1528 | Y160-I1526 PolarHBondContact OH-O 3.31Å; I1432-I1526 HydrophobicContact CG2-CD1 3.42Å; I1432-I1526 VanDerWaalsContact CG2-CD1 3.42Å; I1432-I1526 HydrophobicContact CG2-CG2 4.2Å; T1436-I1526 HydrophobicContact CG2-CB 4.06Å; T1436-I1526 HydrophobicContact CG2-CD1 4.35Å; T1436-I1526 HydrophobicContact CG2-CG2 4.32Å; V1515-I1526 HydrophobicContact CG1-CD1 4.11Å; V1515-I1526 HydrophobicContact CG1-CG1 4.18Å; V1518-I1526 HydrophobicContact CG1-CD1 4.02Å; V1518-I1526 HydrophobicContact CG2-CD1 4.23Å; T1522-I1526 HydrophobicContact CG2-CD1 4.48Å; T1522-I1526 WeakPolarHBondContact O-CG1 3.27Å; T1522-I1526 PolarHBondContact O-N 3.46Å; R1523-I1526 PolarHBondContact O-N 3.45Å; I1526-Q1528 VanDerWaalsContact C-N 3.27Å; I1526-Q1528 PolarHBondContact O-N 2.97Å |
| 1527 | D | 72.7 | Confident | 68.1 | Low | 6 Ų | 6 | 36.8 Ų | 36.8 | 3% | 0.032 | 20% | 0.202 | C | C | . | . | trans | -81.2 | 82.8 | -175.9 | -170.3 | -2.6 | 0 | 0 | 0 | 108.8 | V1515 R1523 S1529 L1530 | V1515-D1527 HydrophobicContact CB-CB 4.34Å; V1515-D1527 HydrophobicContact CG1-CB 4.34Å; R1523-D1527 HydrophobicContact CG-CB 3.76Å; R1523-D1527 IonicContact CZ-OD2 3.96Å; R1523-D1527 IonicContact NE-OD2 3.53Å; R1523-D1527 PolarHBondContact NE-OD2 3.09Å; R1523-D1527 IonicContact NH2-OD2 3.15Å; R1523-D1527 PolarHBondContact NH2-OD2 2.66Å; R1523-D1527 WeakPolarHBondContact O-CA 3.22Å; R1523-D1527 WeakPolarHBondContact O-CB 3.43Å; R1523-D1527 PolarHBondContact O-N 3.28Å; D1527-S1529 VanDerWaalsContact CG-OG 3.3Å; D1527-S1529 PolarHBondContact O-N 3.11Å; D1527-S1529 VanDerWaalsContact OD1-CB 3.27Å; D1527-S1529 WeakPolarHBondContact OD1-CB 3.24Å; D1527-S1529 PolarHBondContact OD1-N 3.45Å; D1527-S1529 PolarHBondContact OD1-OG 3.19Å; D1527-L1530 HydrophobicContact CB-CD1 3.82Å; D1527-L1530 HydrophobicContact CB-CG 4.01Å; D1527-L1530 WeakPolarHBondContact O-CB 2.95Å; D1527-L1530 PolarHBondContact O-N 2.88Å | ||
| 1528 | Q | 68 | Low | 69 | Low | 28 Ų | 28 | 33 Ų | 33 | 13% | 0.131 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -48 | -30 | 174.2 | -97.3 | -169.9 | 18 | 0 | 0 | 113.3 | Y160 I1526 L1530 T1531 S1534 | Y160-Q1528 HydrophobicContact CD2-CG 3.97Å; Y160-Q1528 VanDerWaalsContact CD2-NE2 3.35Å; Y160-Q1528 HydrophobicContact CE2-CG 3.48Å; Y160-Q1528 VanDerWaalsContact CE2-CG 3.48Å; Y160-Q1528 VanDerWaalsContact CE2-NE2 3.33Å; I1526-Q1528 VanDerWaalsContact C-N 3.27Å; I1526-Q1528 PolarHBondContact O-N 2.97Å; Q1528-L1530 PolarHBondContact O-N 2.87Å; Q1528-T1531 PolarHBondContact O-N 2.66Å; Q1528-T1531 PolarHBondContact O-OG1 3.33Å; Q1528-S1534 WeakPolarHBondContact CB-OG 3.42Å; Q1528-S1534 WeakPolarHBondContact CG-OG 3.31Å; Q1528-S1534 PolarHBondContact OE1-OG 3.4Å |
| 1529 | S | 62.3 | Low | 70 | Confident | 45 Ų | 45 | 34.4 Ų | 34.4 | 32% | 0.315 | 19% | 0.185 | S | C | . | . | G | 310 helix | trans | -62.2 | -26.7 | 178 | 81.2 | 0 | 0 | 0 | 0 | 113.7 | D1527 T1531 S1534 | D1527-S1529 VanDerWaalsContact CG-OG 3.3Å; D1527-S1529 PolarHBondContact O-N 3.11Å; D1527-S1529 VanDerWaalsContact OD1-CB 3.27Å; D1527-S1529 WeakPolarHBondContact OD1-CB 3.24Å; D1527-S1529 PolarHBondContact OD1-N 3.45Å; D1527-S1529 PolarHBondContact OD1-OG 3.19Å; S1529-T1531 PolarHBondContact O-N 3.32Å; S1529-S1534 VanDerWaalsContact CA-O 3.27Å; S1529-S1534 WeakPolarHBondContact CA-O 3.33Å |
| 1530 | L | 60.1 | Low | 70.9 | Confident | 17 Ų | 17 | 35.4 Ų | 35.4 | 9% | 0.089 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -70.1 | -21.3 | 175.2 | -61.1 | 174.4 | 0 | 0 | 0 | 112.5 | L39 F49 F57 R1523 I1524 D1527 Q1528 | L39-L1530 HydrophobicContact CD1-CD2 3.91Å; L39-L1530 HydrophobicContact CD2-CB 4.03Å; L39-L1530 HydrophobicContact CD2-CD2 4.18Å; F49-L1530 HydrophobicContact CE1-CD2 4.39Å; F57-L1530 HydrophobicContact CE1-CD2 3.48Å; F57-L1530 VanDerWaalsContact CE1-CD2 3.48Å; F57-L1530 HydrophobicContact CZ-CD2 3.68Å; R1523-L1530 HydrophobicContact CG-CD1 4.43Å; I1524-L1530 HydrophobicContact CG1-CD1 4.24Å; D1527-L1530 HydrophobicContact CB-CD1 3.82Å; D1527-L1530 HydrophobicContact CB-CG 4.01Å; D1527-L1530 WeakPolarHBondContact O-CB 2.95Å; D1527-L1530 PolarHBondContact O-N 2.88Å; Q1528-L1530 PolarHBondContact O-N 2.87Å |
| 1531 | T | 57.3 | Low | 72.2 | Confident | 73 Ų | 73 | 34.8 Ų | 34.8 | 45% | 0.448 | 18% | 0.18 | S | C | . | . | G | 310 helix | trans | -101.7 | 20.1 | -173.7 | 63.2 | 0 | 0 | 0 | 0 | 114 | Q1528 S1529 Q1533 | Q1528-T1531 PolarHBondContact O-N 2.66Å; Q1528-T1531 PolarHBondContact O-OG1 3.33Å; S1529-T1531 PolarHBondContact O-N 3.32Å; T1531-Q1533 WeakPolarHBondContact O-CG 3.12Å; T1531-Q1533 PolarHBondContact O-N 3.05Å |
| 1532 | N | 50 | Low | 73.3 | Confident | 82 Ų | 82 | 34.3 Ų | 34.3 | 44% | 0.439 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | -4 | 178.4 | -75.2 | 11.3 | 0 | 0 | 0 | 117.5 | R40 | R40-N1532 VanDerWaalsContact CZ-OD1 3.25Å; R40-N1532 PolarHBondContact NE-ND2 3.34Å; R40-N1532 PolarHBondContact NE-OD1 2.68Å; R40-N1532 PolarHBondContact NH2-OD1 3.18Å |
| 1533 | Q | 53.5 | Low | 74.2 | Confident | 128 Ų | 128 | 36.7 Ų | 36.7 | 60% | 0.598 | 19% | 0.19 | S | C | * | . | S | Bend | trans | -89.4 | -18.8 | -176.1 | -72.1 | -174.7 | 7.3 | 0 | 0 | 112 | T1183 T1531 | T1183-Q1533 PolarHBondContact OG1-OE1 3.34Å; T1183-Q1533 VanDerWaalsContact OG1-OE1 3.06Å; T1531-Q1533 WeakPolarHBondContact O-CG 3.12Å; T1531-Q1533 PolarHBondContact O-N 3.05Å |
| 1534 | S | 60.7 | Low | 75 | Confident | 38 Ų | 38 | 36.7 Ų | 36.7 | 27% | 0.266 | 19% | 0.191 | S | C | . | . | trans | -157.1 | 157.4 | -175 | 29.5 | 0 | 0 | 0 | 0 | 113.4 | Q1528 S1529 | Q1528-S1534 WeakPolarHBondContact CB-OG 3.42Å; Q1528-S1534 WeakPolarHBondContact CG-OG 3.31Å; Q1528-S1534 PolarHBondContact OE1-OG 3.4Å; S1529-S1534 VanDerWaalsContact CA-O 3.27Å; S1529-S1534 WeakPolarHBondContact CA-O 3.33Å | ||
| 1535 | I | 70.8 | Confident | 76 | Confident | 86 Ų | 86 | 34.9 Ų | 34.9 | 44% | 0.441 | 18% | 0.182 | S | C | . | . | trans | -83.8 | 155.9 | 178.2 | -62.6 | 164.8 | 0 | 0 | 0 | 108.5 | M1537 Q1539 | I1535-M1537 PolarHBondContact O-N 3.37Å; I1535-Q1539 HydrophobicContact CG2-CB 3.82Å; I1535-Q1539 HydrophobicContact CG2-CG 3.89Å | ||
| 1536 | D | 82.4 | Confident | 76.9 | Confident | 20 Ų | 20 | 34.1 Ų | 34.1 | 11% | 0.107 | 18% | 0.18 | C | C | . | . | trans | -51.1 | 129.2 | 170.4 | -176.5 | -38 | 0 | 0 | 0 | 109.3 | R1538 Q1539 R1540 | D1536-R1538 PolarHBondContact O-N 2.7Å; D1536-R1538 WeakPolarHBondContact OD1-CB 3.35Å; D1536-R1538 PolarHBondContact OD1-N 2.85Å; D1536-R1538 IonicContact OD1-NE 2.65Å; D1536-R1538 PolarHBondContact OD1-NE 2.73Å; D1536-R1538 IonicContact OD2-CZ 3.72Å; D1536-R1538 IonicContact OD2-NE 3.52Å; D1536-R1538 PolarHBondContact OD2-NE 3.02Å; D1536-R1538 IonicContact OD2-NH2 2.64Å; D1536-R1538 PolarHBondContact OD2-NH2 3.32Å; D1536-Q1539 HydrophobicContact CB-CB 4.29Å; D1536-Q1539 CarbonylContact O-C 3.55Å; D1536-Q1539 WeakPolarHBondContact O-CA 3.34Å; D1536-Q1539 WeakPolarHBondContact O-CB 3.47Å; D1536-Q1539 PolarHBondContact O-N 3.5Å; D1536-R1540 PolarHBondContact O-N 3.04Å | ||
| 1537 | M | 86.3 | Confident | 77.6 | Confident | 12 Ų | 12 | 35.9 Ų | 35.9 | 6% | 0.059 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -56.7 | -33.9 | -177.1 | -72.1 | -176.8 | -83.3 | 0 | 0 | 112.8 | T1436 N1440 L1443 F1506 L1513 I1535 Q1539 R1540 A1541 | T1436-M1537 HydrophobicContact CG2-CE 4.32Å; N1440-M1537 HydrophobicContact CB-SD 3.82Å; L1443-M1537 HydrophobicContact CD1-CB 3.83Å; L1443-M1537 HydrophobicContact CD1-CG 4.17Å; L1443-M1537 WeakPolarHBondContact CD1-O 3.45Å; F1506-M1537 HydrophobicContact CE1-CB 4.13Å; F1506-M1537 HydrophobicContact CZ-CB 4.27Å; L1513-M1537 HydrophobicContact CD2-CB 4.44Å; L1513-M1537 HydrophobicContact CD2-CE 3.45Å; L1513-M1537 VanDerWaalsContact CD2-CE 3.45Å; L1513-M1537 HydrophobicContact CD2-SD 4.17Å; I1535-M1537 PolarHBondContact O-N 3.37Å; M1537-Q1539 VanDerWaalsContact C-N 3.33Å; M1537-R1540 PolarHBondContact O-N 3.45Å; M1537-A1541 PolarHBondContact O-N 3.21Å |
| 1538 | R | 90.5 | Very high | 78.2 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 0% | 0.004 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.6 | -37.1 | 176.8 | -61.1 | 172.8 | -65.4 | 179 | -5.1 | 111.3 | A1507 L1513 E1516 D1536 C1542 L1574 L1576 I1579 | A1507-R1538 HydrophobicContact CB-CB 4.29Å; L1513-R1538 HydrophobicContact CB-CG 3.84Å; L1513-R1538 HydrophobicContact CD1-CG 4.07Å; L1513-R1538 PolarHBondContact O-NE 3.14Å; L1513-R1538 VanDerWaalsContact O-NE 3.09Å; L1513-R1538 PolarHBondContact O-NH2 2.93Å; E1516-R1538 IonicContact OE1-CZ 3.21Å; E1516-R1538 IonicContact OE1-NH1 3.13Å; E1516-R1538 PolarHBondContact OE1-NH1 2.94Å; E1516-R1538 IonicContact OE1-NH2 2.61Å; E1516-R1538 IonicContact OE2-CZ 3.68Å; E1516-R1538 IonicContact OE2-NH1 3.74Å; E1516-R1538 PolarHBondContact OE2-NH1 3.29Å; E1516-R1538 VanDerWaalsContact OE2-NH1 3.12Å; E1516-R1538 IonicContact OE2-NH2 2.94Å; E1516-R1538 PolarHBondContact OE2-NH2 3.48Å; D1536-R1538 PolarHBondContact O-N 2.7Å; D1536-R1538 WeakPolarHBondContact OD1-CB 3.35Å; D1536-R1538 PolarHBondContact OD1-N 2.85Å; D1536-R1538 IonicContact OD1-NE 2.65Å; D1536-R1538 PolarHBondContact OD1-NE 2.73Å; D1536-R1538 IonicContact OD2-CZ 3.72Å; D1536-R1538 IonicContact OD2-NE 3.52Å; D1536-R1538 PolarHBondContact OD2-NE 3.02Å; D1536-R1538 IonicContact OD2-NH2 2.64Å; D1536-R1538 PolarHBondContact OD2-NH2 3.32Å; R1538-C1542 PolarHBondContact O-N 2.93Å; R1538-L1574 HydrophobicContact CB-CD1 4.15Å; R1538-L1574 HydrophobicContact CG-CD1 4.48Å; R1538-L1576 HydrophobicContact CB-CD1 4.04Å; R1538-I1579 HydrophobicContact CB-CD1 4.44Å |
| 1539 | Q | 89.8 | Confident | 79.2 | Confident | 37 Ų | 37 | 34.4 Ų | 34.4 | 17% | 0.173 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -69.6 | -43.6 | 173.2 | -174.7 | -164.9 | -39.2 | 0 | 0 | 110.6 | I1535 D1536 M1537 A1541 C1542 D1543 R1578 I1579 | I1535-Q1539 HydrophobicContact CG2-CB 3.82Å; I1535-Q1539 HydrophobicContact CG2-CG 3.89Å; D1536-Q1539 HydrophobicContact CB-CB 4.29Å; D1536-Q1539 CarbonylContact O-C 3.55Å; D1536-Q1539 WeakPolarHBondContact O-CA 3.34Å; D1536-Q1539 WeakPolarHBondContact O-CB 3.47Å; D1536-Q1539 PolarHBondContact O-N 3.5Å; M1537-Q1539 VanDerWaalsContact C-N 3.33Å; Q1539-A1541 VanDerWaalsContact C-N 3.26Å; Q1539-A1541 PolarHBondContact O-N 2.97Å; Q1539-C1542 CarbonylContact O-C 3.54Å; Q1539-C1542 WeakPolarHBondContact O-CA 3.35Å; Q1539-C1542 WeakPolarHBondContact O-CB 3.33Å; Q1539-C1542 PolarHBondContact O-N 3.12Å; Q1539-D1543 PolarHBondContact NE2-OD2 3.39Å; Q1539-D1543 VanDerWaalsContact O-CG 3.32Å; Q1539-D1543 PolarHBondContact O-N 3.28Å; Q1539-R1578 HydrophobicContact CG-CB 4.42Å; Q1539-R1578 HydrophobicContact CG-CG 4.17Å; Q1539-I1579 HydrophobicContact CB-CD1 4.45Å; Q1539-I1579 HydrophobicContact CB-CG1 4.29Å; Q1539-I1579 HydrophobicContact CG-CG1 4.34Å |
| 1540 | R | 89.4 | Confident | 80.3 | Confident | 55 Ų | 55 | 37.7 Ų | 37.7 | 21% | 0.208 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.6 | -39.8 | 174.7 | -174.1 | 178.8 | 177 | -160.6 | 1.2 | 111.8 | L1443 D1444 E1447 D1536 M1537 D1543 L1544 | L1443-R1540 HydrophobicContact CD1-CB 4.26Å; L1443-R1540 HydrophobicContact CD1-CG 4.32Å; D1444-R1540 IonicContact OD1-CZ 2.9Å; D1444-R1540 VanDerWaalsContact OD1-CZ 3.25Å; D1444-R1540 IonicContact OD1-NH1 3.75Å; D1444-R1540 PolarHBondContact OD1-NH1 2.69Å; D1444-R1540 IonicContact OD1-NH2 4Å; D1444-R1540 PolarHBondContact OD1-NH2 2.8Å; E1447-R1540 IonicContact OE2-CZ 3.04Å; E1447-R1540 IonicContact OE2-NE 3.05Å; E1447-R1540 PolarHBondContact OE2-NE 2.61Å; E1447-R1540 IonicContact OE2-NH2 2.78Å; E1447-R1540 PolarHBondContact OE2-NH2 3.07Å; D1536-R1540 PolarHBondContact O-N 3.04Å; M1537-R1540 PolarHBondContact O-N 3.45Å; R1540-D1543 PolarHBondContact O-N 3.5Å; R1540-L1544 WeakPolarHBondContact O-CG 3.12Å; R1540-L1544 PolarHBondContact O-N 3.43Å |
| 1541 | A | 92.7 | Very high | 81.2 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.5 | -40.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1443 L1503 F1506 M1537 Q1539 L1544 L1545 | L1443-A1541 HydrophobicContact CD2-CB 3.99Å; L1503-A1541 HydrophobicContact CD2-CB 4.17Å; F1506-A1541 HydrophobicContact CD1-CB 3.7Å; F1506-A1541 HydrophobicContact CE1-CB 4.16Å; M1537-A1541 PolarHBondContact O-N 3.21Å; Q1539-A1541 VanDerWaalsContact C-N 3.26Å; Q1539-A1541 PolarHBondContact O-N 2.97Å; A1541-L1544 PolarHBondContact O-N 3.42Å; A1541-L1545 PolarHBondContact O-N 3.46Å |
| 1542 | C | 93.1 | Very high | 82.4 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.4 | -41.4 | 174 | -172.3 | 0 | 0 | 0 | 0 | 111.8 | R1538 Q1539 L1544 L1545 L1546 M1571 I1579 | R1538-C1542 PolarHBondContact O-N 2.93Å; Q1539-C1542 CarbonylContact O-C 3.54Å; Q1539-C1542 WeakPolarHBondContact O-CA 3.35Å; Q1539-C1542 WeakPolarHBondContact O-CB 3.33Å; Q1539-C1542 PolarHBondContact O-N 3.12Å; C1542-L1544 PolarHBondContact O-N 2.96Å; C1542-L1545 WeakPolarHBondContact O-CB 3.32Å; C1542-L1545 PolarHBondContact O-N 3.49Å; C1542-L1546 WeakPolarHBondContact O-CG 3.38Å; C1542-L1546 PolarHBondContact O-N 3.35Å; C1542-M1571 HydrophobicContact CB-SD 3.7Å; C1542-I1579 HydrophobicContact CB-CD1 4.36Å; C1542-I1579 HydrophobicContact CB-CG1 4.24Å; C1542-I1579 HydrophobicContact CB-CG2 4.48Å |
| 1543 | D | 90.7 | Very high | 83.7 | Confident | 54 Ų | 54 | 36 Ų | 36 | 29% | 0.289 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -64.5 | -38.7 | 178.1 | -66 | -28.3 | 0 | 0 | 0 | 111.3 | Q1539 R1540 L1546 S1547 N1582 | Q1539-D1543 PolarHBondContact NE2-OD2 3.39Å; Q1539-D1543 VanDerWaalsContact O-CG 3.32Å; Q1539-D1543 PolarHBondContact O-N 3.28Å; R1540-D1543 PolarHBondContact O-N 3.5Å; D1543-L1546 PolarHBondContact O-N 3.44Å; D1543-S1547 PolarHBondContact O-N 2.78Å; D1543-N1582 PolarHBondContact OD1-ND2 3.3Å |
| 1544 | L | 90.5 | Very high | 84.8 | Confident | 18 Ų | 18 | 35 Ų | 35 | 9% | 0.094 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.1 | -37.3 | 172 | -71.5 | 173 | 0 | 0 | 0 | 112.7 | L1443 E1447 I1450 L1503 R1540 A1541 C1542 L1546 S1547 L1548 | L1443-L1544 HydrophobicContact CD2-CD1 4.19Å; E1447-L1544 HydrophobicContact CB-CD1 4.28Å; E1447-L1544 HydrophobicContact CB-CD2 3.96Å; E1447-L1544 HydrophobicContact CG-CD2 3.9Å; I1450-L1544 HydrophobicContact CD1-CB 4.38Å; I1450-L1544 HydrophobicContact CD1-CD2 4.49Å; L1503-L1544 HydrophobicContact CD1-CB 4.2Å; R1540-L1544 WeakPolarHBondContact O-CG 3.12Å; R1540-L1544 PolarHBondContact O-N 3.43Å; A1541-L1544 PolarHBondContact O-N 3.42Å; C1542-L1544 PolarHBondContact O-N 2.96Å; L1544-L1546 VanDerWaalsContact C-N 3.31Å; L1544-S1547 PolarHBondContact O-N 3.35Å; L1544-S1547 PolarHBondContact O-OG 3.5Å; L1544-L1548 PolarHBondContact O-N 2.94Å |
| 1545 | L | 91.7 | Very high | 85.3 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.5 | -40.6 | 174.2 | -179 | 62.2 | 0 | 0 | 0 | 110.6 | A1500 L1503 A1541 C1542 L1548 W1549 F1564 N1567 V1568 M1571 | A1500-L1545 HydrophobicContact CB-CD1 3.63Å; L1503-L1545 HydrophobicContact CD1-CB 3.97Å; L1503-L1545 HydrophobicContact CD1-CD1 4.38Å; A1541-L1545 PolarHBondContact O-N 3.46Å; C1542-L1545 WeakPolarHBondContact O-CB 3.32Å; C1542-L1545 PolarHBondContact O-N 3.49Å; L1545-L1548 WeakPolarHBondContact O-CB 3.2Å; L1545-L1548 PolarHBondContact O-N 3.27Å; L1545-W1549 PolarHBondContact O-N 2.93Å; L1545-W1549 VanDerWaalsContact O-N 3.14Å; L1545-F1564 HydrophobicContact CD1-CD1 3.66Å; L1545-F1564 HydrophobicContact CD1-CE1 3.55Å; L1545-F1564 HydrophobicContact CG-CD1 3.96Å; L1545-F1564 HydrophobicContact CG-CE1 4.16Å; L1545-F1564 VanDerWaalsContact O-CE1 3.27Å; L1545-F1564 WeakPolarHBondContact O-CE1 3.48Å; L1545-N1567 HydrophobicContact CD2-CB 4.13Å; L1545-V1568 HydrophobicContact CD2-CG2 3.69Å; L1545-V1568 HydrophobicContact CG-CG2 4.38Å; L1545-M1571 HydrophobicContact CB-CE 4.44Å; L1545-M1571 HydrophobicContact CD2-CE 3.74Å; L1545-M1571 HydrophobicContact CD2-SD 4.01Å |
| 1546 | L | 90.6 | Very high | 85.7 | Confident | 14 Ų | 14 | 41.8 Ų | 41.8 | 7% | 0.073 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -74.7 | -30.8 | 178.9 | -67.4 | 167.9 | 0 | 0 | 0 | 112.5 | C1542 D1543 L1544 L1548 W1549 H1550 V1568 N1582 C1586 | C1542-L1546 WeakPolarHBondContact O-CG 3.38Å; C1542-L1546 PolarHBondContact O-N 3.35Å; D1543-L1546 PolarHBondContact O-N 3.44Å; L1544-L1546 VanDerWaalsContact C-N 3.31Å; L1546-L1548 VanDerWaalsContact C-N 3.3Å; L1546-L1548 PolarHBondContact O-N 3.29Å; L1546-W1549 WeakPolarHBondContact O-CB 3.43Å; L1546-W1549 PolarHBondContact O-N 2.64Å; L1546-H1550 WeakPolarHBondContact O-CB 3.43Å; L1546-H1550 PolarHBondContact O-CD2 2.81Å; L1546-H1550 PolarHBondContact O-N 3.43Å; L1546-V1568 HydrophobicContact CD2-CG2 4.29Å; L1546-N1582 HydrophobicContact CD1-CB 3.59Å; L1546-C1586 HydrophobicContact CD2-CB 3.97Å |
| 1547 | S | 86.8 | Confident | 85.8 | Confident | 39 Ų | 39 | 41.3 Ų | 41.3 | 27% | 0.273 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -60.9 | -43 | 172 | 75.9 | 0 | 0 | 0 | 0 | 110.6 | D1543 L1544 W1549 H1550 S1551 | D1543-S1547 PolarHBondContact O-N 2.78Å; L1544-S1547 PolarHBondContact O-N 3.35Å; L1544-S1547 PolarHBondContact O-OG 3.5Å; S1547-W1549 PolarHBondContact O-N 3.29Å; S1547-H1550 PolarHBondContact O-N 2.8Å; S1547-S1551 WeakPolarHBondContact O-CB 3.22Å; S1547-S1551 PolarHBondContact O-N 3.19Å; S1547-S1551 PolarHBondContact O-OG 3.27Å; S1547-S1551 VanDerWaalsContact O-OG 3.07Å |
| 1548 | L | 85.7 | Confident | 85.6 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59 | -44.8 | 172.2 | -71.8 | 169.5 | 0 | 0 | 0 | 112.1 | I1450 I1454 I1459 I1499 L1503 L1544 L1545 L1546 H1550 S1551 I1552 F1564 | I1450-L1548 HydrophobicContact CD1-CD1 3.91Å; I1450-L1548 HydrophobicContact CD1-CD2 4.4Å; I1450-L1548 HydrophobicContact CD1-CG 4.16Å; I1450-L1548 HydrophobicContact CG1-CD1 4.43Å; I1450-L1548 HydrophobicContact CG1-CD2 4.23Å; I1450-L1548 HydrophobicContact CG2-CD2 3.75Å; I1450-L1548 HydrophobicContact CG2-CG 4.28Å; I1454-L1548 HydrophobicContact CG2-CD2 3.86Å; I1459-L1548 HydrophobicContact CD1-CD2 3.89Å; I1499-L1548 HydrophobicContact CG2-CD1 3.64Å; L1503-L1548 HydrophobicContact CD1-CD1 4.45Å; L1544-L1548 PolarHBondContact O-N 2.94Å; L1545-L1548 WeakPolarHBondContact O-CB 3.2Å; L1545-L1548 PolarHBondContact O-N 3.27Å; L1546-L1548 VanDerWaalsContact C-N 3.3Å; L1546-L1548 PolarHBondContact O-N 3.29Å; L1548-H1550 VanDerWaalsContact C-N 3.33Å; L1548-H1550 PolarHBondContact O-N 2.79Å; L1548-S1551 PolarHBondContact O-N 3.47Å; L1548-I1552 WeakPolarHBondContact O-CG1 3.27Å; L1548-I1552 PolarHBondContact O-N 3.03Å; L1548-F1564 HydrophobicContact CB-CE1 4.09Å; L1548-F1564 HydrophobicContact CB-CZ 4.13Å |
| 1549 | W | 87.9 | Confident | 85.2 | Confident | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.008 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.6 | -42.5 | 175.6 | 171.7 | -105.4 | 0 | 0 | 0 | 112.4 | L1545 L1546 S1547 K1557 I1561 F1564 N1589 A1590 I1593 | L1545-W1549 PolarHBondContact O-N 2.93Å; L1545-W1549 VanDerWaalsContact O-N 3.14Å; L1546-W1549 WeakPolarHBondContact O-CB 3.43Å; L1546-W1549 PolarHBondContact O-N 2.64Å; S1547-W1549 PolarHBondContact O-N 3.29Å; W1549-K1557 HydrophobicContact CD2-CD 4.47Å; W1549-K1557 HydrophobicContact CE3-CG 4.45Å; W1549-K1557 HydrophobicContact CH2-CB 3.82Å; W1549-K1557 HydrophobicContact CH2-CD 4.09Å; W1549-K1557 HydrophobicContact CH2-CG 4.04Å; W1549-K1557 HydrophobicContact CZ2-CB 4.39Å; W1549-K1557 HydrophobicContact CZ2-CD 3.84Å; W1549-K1557 HydrophobicContact CZ2-CG 4.3Å; W1549-K1557 HydrophobicContact CZ3-CB 4.11Å; W1549-K1557 HydrophobicContact CZ3-CD 4.5Å; W1549-K1557 HydrophobicContact CZ3-CG 4.12Å; W1549-K1557 WeakPolarHBondContact O-CE 3.46Å; W1549-I1561 HydrophobicContact CH2-CG1 3.9Å; W1549-I1561 HydrophobicContact CZ3-CG1 4.42Å; W1549-F1564 HydrophobicContact CB-CD1 3.87Å; W1549-F1564 HydrophobicContact CB-CE1 3.83Å; W1549-F1564 HydrophobicContact CB-CG 4.42Å; W1549-F1564 HydrophobicContact CB-CZ 4.35Å; W1549-F1564 HydrophobicContact CD2-CG 4.49Å; W1549-F1564 HydrophobicContact CE3-CB 4.07Å; W1549-F1564 HydrophobicContact CE3-CD1 4.35Å; W1549-F1564 AromaticContact CE3-CD2 3.61Å; W1549-F1564 HydrophobicContact CE3-CD2 3.61Å; W1549-F1564 HydrophobicContact CE3-CE2 4.11Å; W1549-F1564 AromaticContact CE3-CG 3.75Å; W1549-F1564 HydrophobicContact CE3-CG 3.75Å; W1549-F1564 HydrophobicContact CZ3-CB 4.48Å; W1549-F1564 HydrophobicContact CZ3-CD2 4.12Å; W1549-F1564 HydrophobicContact CZ3-CG 4.45Å; W1549-N1589 PolarHBondContact NE1-ND2 3.43Å; W1549-A1590 HydrophobicContact CZ2-CB 4.35Å; W1549-I1593 HydrophobicContact CH2-CD1 4.12Å; W1549-I1593 HydrophobicContact CZ2-CD1 3.66Å |
| 1550 | H | 85.2 | Confident | 85 | Confident | 113 Ų | 113 | 47.9 Ų | 47.9 | 52% | 0.523 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -72.5 | -30.5 | -178.8 | -70.8 | -54.7 | 0 | 0 | 0 | 113.4 | L1546 S1547 L1548 I1552 | L1546-H1550 WeakPolarHBondContact O-CB 3.43Å; L1546-H1550 PolarHBondContact O-CD2 2.81Å; L1546-H1550 PolarHBondContact O-N 3.43Å; S1547-H1550 PolarHBondContact O-N 2.8Å; L1548-H1550 VanDerWaalsContact C-N 3.33Å; L1548-H1550 PolarHBondContact O-N 2.79Å; H1550-I1552 VanDerWaalsContact C-N 3.3Å; H1550-I1552 PolarHBondContact O-N 2.85Å |
| 1551 | S | 80.4 | Confident | 84.9 | Confident | 47 Ų | 47 | 45.3 Ų | 45.3 | 33% | 0.329 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -71.3 | -22.2 | 177.9 | -65.7 | 0 | 0 | 0 | 0 | 113 | E1455 I1459 S1547 L1548 | E1455-S1551 PolarHBondContact OE1-OG 3.27Å; I1459-S1551 VanDerWaalsContact CG2-C 3.46Å; I1459-S1551 WeakPolarHBondContact CG2-O 3.46Å; S1547-S1551 WeakPolarHBondContact O-CB 3.22Å; S1547-S1551 PolarHBondContact O-N 3.19Å; S1547-S1551 PolarHBondContact O-OG 3.27Å; S1547-S1551 VanDerWaalsContact O-OG 3.07Å; L1548-S1551 PolarHBondContact O-N 3.47Å |
| 1552 | I | 82.2 | Confident | 84.7 | Confident | 8 Ų | 8 | 49.9 Ų | 49.9 | 4% | 0.041 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -73.1 | 140 | 176.7 | -61.5 | 162.7 | 0 | 0 | 0 | 110.8 | I1459 L1548 H1550 K1557 Y1560 F1564 | I1459-I1552 HydrophobicContact CG2-CG1 4.13Å; L1548-I1552 WeakPolarHBondContact O-CG1 3.27Å; L1548-I1552 PolarHBondContact O-N 3.03Å; H1550-I1552 VanDerWaalsContact C-N 3.3Å; H1550-I1552 PolarHBondContact O-N 2.85Å; I1552-K1557 HydrophobicContact CB-CG 4.1Å; I1552-K1557 HydrophobicContact CG2-CG 3.79Å; I1552-K1557 WeakPolarHBondContact O-CE 3.36Å; I1552-K1557 PolarHBondContact O-NZ 2.93Å; I1552-K1557 VanDerWaalsContact O-NZ 3.07Å; I1552-Y1560 HydrophobicContact CD1-CD2 4.09Å; I1552-Y1560 HydrophobicContact CD1-CG 4.17Å; I1552-Y1560 HydrophobicContact CG2-CD2 4.05Å; I1552-Y1560 HydrophobicContact CG2-CE2 4.23Å; I1552-F1564 HydrophobicContact CD1-CE2 3.74Å; I1552-F1564 HydrophobicContact CD1-CZ 3.93Å |
| 1553 | D | 76.5 | Confident | 84.4 | Confident | 81 Ų | 81 | 50 Ų | 50 | 43% | 0.433 | 25% | 0.252 | S | S | . | . | trans | -69.8 | 143.7 | 176.7 | 69.6 | -57.8 | 0 | 0 | 0 | 112.3 | R1555 S1556 K1557 | D1553-R1555 PolarHBondContact O-N 3.09Å; D1553-S1556 VanDerWaalsContact CG-OG 3.24Å; D1553-S1556 PolarHBondContact O-N 3.45Å; D1553-S1556 WeakPolarHBondContact OD1-CB 3.21Å; D1553-S1556 PolarHBondContact OD1-OG 2.94Å; D1553-S1556 PolarHBondContact OD2-N 3.23Å; D1553-S1556 PolarHBondContact OD2-OG 2.93Å; D1553-S1556 VanDerWaalsContact OD2-OG 3.11Å; D1553-K1557 PolarHBondContact O-N 3.4Å | ||
| 1554 | D | 76.5 | Confident | 84.5 | Confident | 107 Ų | 107 | 47.5 Ų | 47.5 | 57% | 0.572 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -26.5 | -172 | -67.5 | -18.5 | 0 | 0 | 0 | 114.1 | K1557 | D1554-K1557 IonicContact OD1-NZ 2.81Å; D1554-K1557 PolarHBondContact OD1-NZ 2.98Å |
| 1555 | R | 72.7 | Confident | 84.5 | Confident | 226 Ų | 226 | 46.8 Ų | 46.8 | 85% | 0.853 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -40 | 177 | -66.2 | -177.9 | 179.5 | -179.8 | 0.7 | 111.8 | D1553 | D1553-R1555 PolarHBondContact O-N 3.09Š|
| 1556 | S | 77.9 | Confident | 84.4 | Confident | 41 Ų | 41 | 47.3 Ų | 47.3 | 29% | 0.287 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -24.6 | 179.4 | -52.4 | 0 | 0 | 0 | 0 | 113 | D1553 V1558 N1559 Y1560 | D1553-S1556 VanDerWaalsContact CG-OG 3.24Å; D1553-S1556 PolarHBondContact O-N 3.45Å; D1553-S1556 WeakPolarHBondContact OD1-CB 3.21Å; D1553-S1556 PolarHBondContact OD1-OG 2.94Å; D1553-S1556 PolarHBondContact OD2-N 3.23Å; D1553-S1556 PolarHBondContact OD2-OG 2.93Å; D1553-S1556 VanDerWaalsContact OD2-OG 3.11Å; S1556-V1558 PolarHBondContact O-N 3.44Å; S1556-N1559 PolarHBondContact O-N 3.28Å; S1556-Y1560 VanDerWaalsContact O-CD2 3.29Å; S1556-Y1560 WeakPolarHBondContact O-CD2 3.26Å |
| 1557 | K | 84.5 | Confident | 84.5 | Confident | 11 Ų | 11 | 47.5 Ų | 47.5 | 5% | 0.048 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -51.4 | -32.7 | 180 | -80 | -176.6 | -179.9 | 134.4 | 0 | 113.8 | W1549 I1552 D1553 D1554 N1559 Y1560 I1561 I1593 | W1549-K1557 HydrophobicContact CD2-CD 4.47Å; W1549-K1557 HydrophobicContact CE3-CG 4.45Å; W1549-K1557 HydrophobicContact CH2-CB 3.82Å; W1549-K1557 HydrophobicContact CH2-CD 4.09Å; W1549-K1557 HydrophobicContact CH2-CG 4.04Å; W1549-K1557 HydrophobicContact CZ2-CB 4.39Å; W1549-K1557 HydrophobicContact CZ2-CD 3.84Å; W1549-K1557 HydrophobicContact CZ2-CG 4.3Å; W1549-K1557 HydrophobicContact CZ3-CB 4.11Å; W1549-K1557 HydrophobicContact CZ3-CD 4.5Å; W1549-K1557 HydrophobicContact CZ3-CG 4.12Å; W1549-K1557 WeakPolarHBondContact O-CE 3.46Å; I1552-K1557 HydrophobicContact CB-CG 4.1Å; I1552-K1557 HydrophobicContact CG2-CG 3.79Å; I1552-K1557 WeakPolarHBondContact O-CE 3.36Å; I1552-K1557 PolarHBondContact O-NZ 2.93Å; I1552-K1557 VanDerWaalsContact O-NZ 3.07Å; D1553-K1557 PolarHBondContact O-N 3.4Å; D1554-K1557 IonicContact OD1-NZ 2.81Å; D1554-K1557 PolarHBondContact OD1-NZ 2.98Å; K1557-N1559 PolarHBondContact O-N 3.46Å; K1557-Y1560 PolarHBondContact O-N 3Å; K1557-I1561 WeakPolarHBondContact O-CG1 3.29Å; K1557-I1561 PolarHBondContact O-N 3.29Å; K1557-I1593 HydrophobicContact CB-CD1 3.89Å; K1557-I1593 HydrophobicContact CB-CG2 4.25Å; K1557-I1593 HydrophobicContact CD-CD1 3.45Å; K1557-I1593 VanDerWaalsContact CD-CD1 3.45Å; K1557-I1593 HydrophobicContact CG-CD1 4.3Å |
| 1558 | V | 82.7 | Confident | 84.7 | Confident | 46 Ų | 46 | 45.6 Ų | 45.6 | 28% | 0.279 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -52.3 | -40.7 | 177.2 | -177.3 | 0 | 0 | 0 | 0 | 111.7 | S1556 Y1560 I1593 H1594 | S1556-V1558 PolarHBondContact O-N 3.44Å; V1558-Y1560 VanDerWaalsContact C-N 3.32Å; V1558-Y1560 PolarHBondContact O-N 3.45Å; V1558-I1593 HydrophobicContact CG2-CG2 3.63Å; V1558-H1594 HydrophobicContact CG1-CB 4.17Å; V1558-H1594 HydrophobicContact CG2-CB 4.32Å |
| 1559 | N | 81.6 | Confident | 84.9 | Confident | 111 Ų | 111 | 45.6 Ų | 45.6 | 59% | 0.594 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -74.3 | -21.7 | -178 | -65 | -22.1 | 0 | 0 | 0 | 112.6 | S1556 K1557 H1562 | S1556-N1559 PolarHBondContact O-N 3.28Å; K1557-N1559 PolarHBondContact O-N 3.46Å; N1559-H1562 PolarHBondContact O-CE1 3.44Å; N1559-H1562 PolarHBondContact O-ND1 3.36Å |
| 1560 | Y | 86.5 | Confident | 84.9 | Confident | 30 Ų | 30 | 46.6 Ų | 46.6 | 12% | 0.118 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -98.8 | -7 | -175.3 | -65.2 | -77.7 | 0 | 0 | 0 | 114.1 | I1496 I1552 S1556 K1557 V1558 H1562 I1563 F1564 | I1496-Y1560 HydrophobicContact CB-CE1 4.31Å; I1496-Y1560 HydrophobicContact CD1-CD1 4.43Å; I1496-Y1560 HydrophobicContact CD1-CE1 3.67Å; I1496-Y1560 HydrophobicContact CG2-CD1 4.09Å; I1496-Y1560 HydrophobicContact CG2-CE1 4.23Å; I1552-Y1560 HydrophobicContact CD1-CD2 4.09Å; I1552-Y1560 HydrophobicContact CD1-CG 4.17Å; I1552-Y1560 HydrophobicContact CG2-CD2 4.05Å; I1552-Y1560 HydrophobicContact CG2-CE2 4.23Å; S1556-Y1560 VanDerWaalsContact O-CD2 3.29Å; S1556-Y1560 WeakPolarHBondContact O-CD2 3.26Å; K1557-Y1560 PolarHBondContact O-N 3Å; V1558-Y1560 VanDerWaalsContact C-N 3.32Å; V1558-Y1560 PolarHBondContact O-N 3.45Å; Y1560-H1562 PolarHBondContact O-N 2.92Å; Y1560-I1563 HydrophobicContact CD1-CD1 4Å; Y1560-I1563 WeakPolarHBondContact O-CB 3.36Å; Y1560-I1563 PolarHBondContact O-N 3.28Å; Y1560-F1564 HydrophobicContact CG-CE2 4.42Å; Y1560-F1564 WeakPolarHBondContact O-CD2 3.45Å; Y1560-F1564 PolarHBondContact O-N 3.44Å; Y1560-F1564 VanDerWaalsContact O-N 3.1Å |
| 1561 | I | 87.3 | Confident | 85.1 | Confident | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -53.4 | -40.8 | -179.9 | -70 | 167.7 | 0 | 0 | 0 | 111.8 | W1549 K1557 I1563 L1565 I1593 H1594 T1597 V1598 | W1549-I1561 HydrophobicContact CH2-CG1 3.9Å; W1549-I1561 HydrophobicContact CZ3-CG1 4.42Å; K1557-I1561 WeakPolarHBondContact O-CG1 3.29Å; K1557-I1561 PolarHBondContact O-N 3.29Å; I1561-I1563 PolarHBondContact O-N 3.01Å; I1561-L1565 HydrophobicContact CG2-CD2 4.41Å; I1561-L1565 VanDerWaalsContact O-CB 3.23Å; I1561-L1565 WeakPolarHBondContact O-CB 3.45Å; I1561-L1565 PolarHBondContact O-N 3.42Å; I1561-L1565 VanDerWaalsContact O-N 3.11Å; I1561-I1593 HydrophobicContact CD1-CG2 4.5Å; I1561-H1594 HydrophobicContact CD1-CB 4.07Å; I1561-T1597 HydrophobicContact CB-CG2 4.34Å; I1561-T1597 HydrophobicContact CG2-CG2 4.08Å; I1561-V1598 HydrophobicContact CD1-CG2 4.09Å; I1561-V1598 HydrophobicContact CG2-CG2 3.85Å |
| 1562 | H | 86.9 | Confident | 85.6 | Confident | 95 Ų | 95 | 39 Ų | 39 | 44% | 0.44 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -70.2 | -11.8 | -178.6 | 74 | -81.8 | 0 | 0 | 0 | 114.3 | N1559 Y1560 P1566 V1601 | N1559-H1562 PolarHBondContact O-CE1 3.44Å; N1559-H1562 PolarHBondContact O-ND1 3.36Å; Y1560-H1562 PolarHBondContact O-N 2.92Å; H1562-P1566 WeakPolarHBondContact O-CD 3.28Å; H1562-P1566 VanDerWaalsContact O-CG 3.32Å; H1562-P1566 WeakPolarHBondContact O-CG 3.4Å; H1562-V1601 HydrophobicContact CB-CG2 4.27Å |
| 1563 | I | 88.4 | Confident | 85.7 | Confident | 4 Ų | 4 | 39.2 Ų | 39.2 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -97.1 | -54.8 | 176.1 | -65.7 | 163.3 | 0 | 0 | 0 | 110 | E1497 A1500 Y1560 I1561 N1567 | E1497-I1563 HydrophobicContact CB-CD1 3.96Å; E1497-I1563 HydrophobicContact CB-CG1 4.24Å; E1497-I1563 HydrophobicContact CB-CG2 4.2Å; E1497-I1563 HydrophobicContact CG-CD1 4.44Å; E1497-I1563 HydrophobicContact CG-CG1 4.2Å; E1497-I1563 HydrophobicContact CG-CG2 4.23Å; A1500-I1563 HydrophobicContact CB-CG2 3.79Å; Y1560-I1563 HydrophobicContact CD1-CD1 4Å; Y1560-I1563 WeakPolarHBondContact O-CB 3.36Å; Y1560-I1563 PolarHBondContact O-N 3.28Å; I1561-I1563 PolarHBondContact O-N 3.01Å; I1563-N1567 WeakPolarHBondContact O-CB 3.44Å; I1563-N1567 PolarHBondContact O-ND2 3.25Å |
| 1564 | F | 91.4 | Very high | 86.1 | Confident | 1 Ų | 1 | 36 Ų | 36 | 0% | 0.004 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -70.6 | -44.2 | -173.6 | -76.4 | -90.1 | 0 | 0 | 0 | 112.5 | I1496 L1545 L1548 W1549 I1552 Y1560 N1567 V1568 | I1496-F1564 HydrophobicContact CG2-CE2 3.84Å; I1496-F1564 HydrophobicContact CG2-CZ 3.89Å; L1545-F1564 HydrophobicContact CD1-CD1 3.66Å; L1545-F1564 HydrophobicContact CD1-CE1 3.55Å; L1545-F1564 HydrophobicContact CG-CD1 3.96Å; L1545-F1564 HydrophobicContact CG-CE1 4.16Å; L1545-F1564 VanDerWaalsContact O-CE1 3.27Å; L1545-F1564 WeakPolarHBondContact O-CE1 3.48Å; L1548-F1564 HydrophobicContact CB-CE1 4.09Å; L1548-F1564 HydrophobicContact CB-CZ 4.13Å; W1549-F1564 HydrophobicContact CB-CD1 3.87Å; W1549-F1564 HydrophobicContact CB-CE1 3.83Å; W1549-F1564 HydrophobicContact CB-CG 4.42Å; W1549-F1564 HydrophobicContact CB-CZ 4.35Å; W1549-F1564 HydrophobicContact CD2-CG 4.49Å; W1549-F1564 HydrophobicContact CE3-CB 4.07Å; W1549-F1564 HydrophobicContact CE3-CD1 4.35Å; W1549-F1564 AromaticContact CE3-CD2 3.61Å; W1549-F1564 HydrophobicContact CE3-CD2 3.61Å; W1549-F1564 HydrophobicContact CE3-CE2 4.11Å; W1549-F1564 AromaticContact CE3-CG 3.75Å; W1549-F1564 HydrophobicContact CE3-CG 3.75Å; W1549-F1564 HydrophobicContact CZ3-CB 4.48Å; W1549-F1564 HydrophobicContact CZ3-CD2 4.12Å; W1549-F1564 HydrophobicContact CZ3-CG 4.45Å; I1552-F1564 HydrophobicContact CD1-CE2 3.74Å; I1552-F1564 HydrophobicContact CD1-CZ 3.93Å; Y1560-F1564 HydrophobicContact CG-CE2 4.42Å; Y1560-F1564 WeakPolarHBondContact O-CD2 3.45Å; Y1560-F1564 PolarHBondContact O-N 3.44Å; Y1560-F1564 VanDerWaalsContact O-N 3.1Å; F1564-N1567 PolarHBondContact O-N 3.22Å; F1564-V1568 VanDerWaalsContact O-CG2 3.31Å; F1564-V1568 WeakPolarHBondContact O-CG2 3.5Å; F1564-V1568 PolarHBondContact O-N 2.88Å |
| 1565 | L | 90.5 | Very high | 86.2 | Confident | 3 Ų | 3 | 33.3 Ų | 33.3 | 2% | 0.016 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.7 | -45.7 | -171.8 | -175.5 | 61.2 | 0 | 0 | 0 | 112.7 | I1561 N1567 I1569 I1587 V1598 V1601 F1602 | I1561-L1565 HydrophobicContact CG2-CD2 4.41Å; I1561-L1565 VanDerWaalsContact O-CB 3.23Å; I1561-L1565 WeakPolarHBondContact O-CB 3.45Å; I1561-L1565 PolarHBondContact O-N 3.42Å; I1561-L1565 VanDerWaalsContact O-N 3.11Å; L1565-N1567 VanDerWaalsContact C-N 3.34Å; L1565-N1567 PolarHBondContact O-N 2.89Å; L1565-I1569 HydrophobicContact CD1-CD1 3.84Å; L1565-I1569 HydrophobicContact CD1-CG1 4.14Å; L1565-I1569 HydrophobicContact CG-CD1 3.8Å; L1565-I1569 WeakPolarHBondContact O-CB 3.16Å; L1565-I1569 WeakPolarHBondContact O-CD1 3.33Å; L1565-I1569 WeakPolarHBondContact O-CG1 3.39Å; L1565-I1569 PolarHBondContact O-N 3.48Å; L1565-I1587 HydrophobicContact CD1-CG1 3.55Å; L1565-V1598 HydrophobicContact CD2-CG1 3.94Å; L1565-V1601 HydrophobicContact CB-CG1 4.1Å; L1565-V1601 HydrophobicContact CD2-CB 4.11Å; L1565-V1601 HydrophobicContact CD2-CG1 3.92Å; L1565-V1601 HydrophobicContact CG-CG1 4.17Å; L1565-F1602 HydrophobicContact CD2-CB 4.23Å |
| 1566 | P | 90.8 | Very high | 86.7 | Confident | 10 Ų | 10 | 23.9 Ų | 23.9 | 7% | 0.065 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.6 | -41.9 | 174.4 | -26.1 | 37.7 | 0 | 0 | 0 | 113.3 | H1562 I1569 N1570 V1601 E1605 | H1562-P1566 WeakPolarHBondContact O-CD 3.28Å; H1562-P1566 VanDerWaalsContact O-CG 3.32Å; H1562-P1566 WeakPolarHBondContact O-CG 3.4Å; P1566-I1569 PolarHBondContact O-N 2.89Å; P1566-N1570 WeakPolarHBondContact O-CB 3.35Å; P1566-N1570 PolarHBondContact O-N 2.89Å; P1566-N1570 PolarHBondContact O-ND2 2.9Å; P1566-V1601 HydrophobicContact CG-CG1 3.63Å; P1566-E1605 HydrophobicContact CB-CG 4.28Å |
| 1567 | N | 91.8 | Very high | 87 | Confident | 18 Ų | 18 | 26 Ų | 26 | 10% | 0.096 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65 | -45.3 | -178.9 | -79.3 | -32.6 | 0 | 0 | 0 | 112.2 | A1500 T1504 L1545 I1563 F1564 L1565 N1570 M1571 | A1500-N1567 WeakPolarHBondContact CB-ND2 3.19Å; T1504-N1567 HydrophobicContact CG2-CB 4.49Å; T1504-N1567 WeakPolarHBondContact OG1-CB 3.47Å; T1504-N1567 VanDerWaalsContact OG1-CG 3.3Å; T1504-N1567 PolarHBondContact OG1-OD1 2.84Å; L1545-N1567 HydrophobicContact CD2-CB 4.13Å; I1563-N1567 WeakPolarHBondContact O-CB 3.44Å; I1563-N1567 PolarHBondContact O-ND2 3.25Å; F1564-N1567 PolarHBondContact O-N 3.22Å; L1565-N1567 VanDerWaalsContact C-N 3.34Å; L1565-N1567 PolarHBondContact O-N 2.89Å; N1567-N1570 WeakPolarHBondContact O-CB 3.28Å; N1567-N1570 PolarHBondContact O-N 3.27Å; N1567-M1571 WeakPolarHBondContact O-CG 3.34Å; N1567-M1571 PolarHBondContact O-N 3.11Å |
| 1568 | V | 92 | Very high | 86.9 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.6 | -39.3 | 177 | 178.2 | 0 | 0 | 0 | 0 | 111.5 | L1545 L1546 F1564 N1570 M1571 A1572 C1583 C1586 | L1545-V1568 HydrophobicContact CD2-CG2 3.69Å; L1545-V1568 HydrophobicContact CG-CG2 4.38Å; L1546-V1568 HydrophobicContact CD2-CG2 4.29Å; F1564-V1568 VanDerWaalsContact O-CG2 3.31Å; F1564-V1568 WeakPolarHBondContact O-CG2 3.5Å; F1564-V1568 PolarHBondContact O-N 2.88Å; V1568-N1570 VanDerWaalsContact C-N 3.32Å; V1568-N1570 PolarHBondContact O-N 3.39Å; V1568-M1571 PolarHBondContact O-N 3.46Å; V1568-A1572 WeakPolarHBondContact O-CB 3.48Å; V1568-A1572 PolarHBondContact O-N 2.93Å; V1568-C1583 HydrophobicContact CG1-CB 3.67Å; V1568-C1586 HydrophobicContact CG1-CB 4.37Å |
| 1569 | I | 89.5 | Confident | 87.2 | Confident | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.4 | -40.7 | 174.4 | -68.3 | 167 | 0 | 0 | 0 | 110.7 | L1565 P1566 A1572 T1573 F1602 E1605 I1606 V1609 | L1565-I1569 HydrophobicContact CD1-CD1 3.84Å; L1565-I1569 HydrophobicContact CD1-CG1 4.14Å; L1565-I1569 HydrophobicContact CG-CD1 3.8Å; L1565-I1569 WeakPolarHBondContact O-CB 3.16Å; L1565-I1569 WeakPolarHBondContact O-CD1 3.33Å; L1565-I1569 WeakPolarHBondContact O-CG1 3.39Å; L1565-I1569 PolarHBondContact O-N 3.48Å; P1566-I1569 PolarHBondContact O-N 2.89Å; I1569-A1572 PolarHBondContact O-N 3.45Å; I1569-T1573 PolarHBondContact O-N 2.9Å; I1569-F1602 HydrophobicContact CD1-CD2 3.84Å; I1569-F1602 HydrophobicContact CD1-CE2 4.4Å; I1569-E1605 HydrophobicContact CB-CG 3.98Å; I1569-E1605 HydrophobicContact CD1-CB 4.01Å; I1569-E1605 HydrophobicContact CD1-CG 4Å; I1569-E1605 HydrophobicContact CG2-CG 3.75Å; I1569-I1606 HydrophobicContact CG2-CD1 4.14Å; I1569-V1609 HydrophobicContact CG2-CB 4.45Å; I1569-V1609 HydrophobicContact CG2-CG2 4.21Å |
| 1570 | N | 87.5 | Confident | 87.6 | Confident | 24 Ų | 24 | 24.3 Ų | 24.3 | 13% | 0.128 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.1 | -43.7 | 174.6 | -79.2 | -48 | 0 | 0 | 0 | 112.4 | T1504 P1566 N1567 V1568 A1572 T1573 E1605 R1608 | T1504-N1570 HydrophobicContact CG2-CB 3.79Å; P1566-N1570 WeakPolarHBondContact O-CB 3.35Å; P1566-N1570 PolarHBondContact O-N 2.89Å; P1566-N1570 PolarHBondContact O-ND2 2.9Å; N1567-N1570 WeakPolarHBondContact O-CB 3.28Å; N1567-N1570 PolarHBondContact O-N 3.27Å; V1568-N1570 VanDerWaalsContact C-N 3.32Å; V1568-N1570 PolarHBondContact O-N 3.39Å; N1570-A1572 VanDerWaalsContact C-N 3.3Å; N1570-A1572 PolarHBondContact O-N 3.21Å; N1570-T1573 WeakPolarHBondContact O-CB 3.47Å; N1570-T1573 WeakPolarHBondContact O-CG2 3.39Å; N1570-T1573 PolarHBondContact O-N 3.41Å; N1570-T1573 PolarHBondContact O-OG1 3.25Å; N1570-E1605 PolarHBondContact ND2-OE1 3.21Å; N1570-E1605 PolarHBondContact OD1-OE1 3.27Å; N1570-R1608 VanDerWaalsContact CG-NH2 3.29Å; N1570-R1608 PolarHBondContact ND2-NH2 2.91Å; N1570-R1608 VanDerWaalsContact ND2-NH2 3.15Å; N1570-R1608 PolarHBondContact OD1-NH2 3.49Å |
| 1571 | M | 90.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.3 | -37.3 | 174.1 | -68.4 | -178.7 | 176.5 | 0 | 0 | 112.1 | L1503 T1504 A1507 C1542 L1545 N1567 V1568 T1573 L1574 I1579 | L1503-M1571 HydrophobicContact CB-CE 3.93Å; L1503-M1571 VanDerWaalsContact O-CE 3.24Å; L1503-M1571 WeakPolarHBondContact O-CE 3.32Å; T1504-M1571 VanDerWaalsContact CA-CE 3.45Å; T1504-M1571 HydrophobicContact CG2-CG 4.3Å; A1507-M1571 HydrophobicContact CB-CE 4.34Å; A1507-M1571 HydrophobicContact CB-CG 4.11Å; C1542-M1571 HydrophobicContact CB-SD 3.7Å; L1545-M1571 HydrophobicContact CB-CE 4.44Å; L1545-M1571 HydrophobicContact CD2-CE 3.74Å; L1545-M1571 HydrophobicContact CD2-SD 4.01Å; N1567-M1571 WeakPolarHBondContact O-CG 3.34Å; N1567-M1571 PolarHBondContact O-N 3.11Å; V1568-M1571 PolarHBondContact O-N 3.46Å; M1571-T1573 PolarHBondContact O-N 3.1Å; M1571-T1573 VanDerWaalsContact O-N 3.13Å; M1571-L1574 VanDerWaalsContact O-CB 3.25Å; M1571-L1574 WeakPolarHBondContact O-CB 3.49Å; M1571-L1574 WeakPolarHBondContact O-CD1 3.3Å; M1571-L1574 VanDerWaalsContact O-CG 3.23Å; M1571-L1574 WeakPolarHBondContact O-CG 3.44Å; M1571-L1574 PolarHBondContact O-N 2.64Å; M1571-I1579 HydrophobicContact CB-CG2 3.9Å |
| 1572 | A | 89.6 | Confident | 87.7 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.5 | -14.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | V1568 I1569 N1570 L1574 I1579 R1580 C1583 F1617 I1621 | V1568-A1572 WeakPolarHBondContact O-CB 3.48Å; V1568-A1572 PolarHBondContact O-N 2.93Å; I1569-A1572 PolarHBondContact O-N 3.45Å; N1570-A1572 VanDerWaalsContact C-N 3.3Å; N1570-A1572 PolarHBondContact O-N 3.21Å; A1572-L1574 PolarHBondContact O-N 3.02Å; A1572-L1574 VanDerWaalsContact O-O 3.1Å; A1572-I1579 HydrophobicContact CB-CG2 4.44Å; A1572-R1580 HydrophobicContact CB-CG 4.44Å; A1572-R1580 PolarHBondContact O-NE 3.31Å; A1572-C1583 HydrophobicContact CB-CB 3.77Å; A1572-F1617 HydrophobicContact CB-CE2 3.82Å; A1572-F1617 WeakPolarHBondContact O-CD2 3.43Å; A1572-F1617 WeakPolarHBondContact O-CE2 3.49Å; A1572-I1621 HydrophobicContact CB-CD1 4.49Å |
| 1573 | T | 85.1 | Confident | 87.8 | Confident | 12 Ų | 12 | 22.3 Ų | 22.3 | 7% | 0.074 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -22.8 | 171.5 | 68.2 | 0 | 0 | 0 | 0 | 113 | I1569 N1570 M1571 V1609 W1612 A1613 | I1569-T1573 PolarHBondContact O-N 2.9Å; N1570-T1573 WeakPolarHBondContact O-CB 3.47Å; N1570-T1573 WeakPolarHBondContact O-CG2 3.39Å; N1570-T1573 PolarHBondContact O-N 3.41Å; N1570-T1573 PolarHBondContact O-OG1 3.25Å; M1571-T1573 PolarHBondContact O-N 3.1Å; M1571-T1573 VanDerWaalsContact O-N 3.13Å; T1573-V1609 HydrophobicContact CG2-CG1 3.17Å; T1573-W1612 HydrophobicContact CG2-CH2 3.62Å; T1573-W1612 HydrophobicContact CG2-CZ2 4.2Å; T1573-W1612 HydrophobicContact CG2-CZ3 4.12Å; T1573-A1613 HydrophobicContact CG2-CB 3.92Å |
| 1574 | L | 84 | Confident | 87.8 | Confident | 15 Ų | 15 | 22.2 Ų | 22.2 | 8% | 0.079 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -63.8 | 147.7 | 172.9 | -60.6 | 169.6 | 0 | 0 | 0 | 110.4 | A1507 R1538 M1571 A1572 L1576 I1579 R1580 | A1507-L1574 HydrophobicContact CB-CD1 4.12Å; R1538-L1574 HydrophobicContact CB-CD1 4.15Å; R1538-L1574 HydrophobicContact CG-CD1 4.48Å; M1571-L1574 VanDerWaalsContact O-CB 3.25Å; M1571-L1574 WeakPolarHBondContact O-CB 3.49Å; M1571-L1574 WeakPolarHBondContact O-CD1 3.3Å; M1571-L1574 VanDerWaalsContact O-CG 3.23Å; M1571-L1574 WeakPolarHBondContact O-CG 3.44Å; M1571-L1574 PolarHBondContact O-N 2.64Å; A1572-L1574 PolarHBondContact O-N 3.02Å; A1572-L1574 VanDerWaalsContact O-O 3.1Å; L1574-L1576 PolarHBondContact O-N 3.28Å; L1574-I1579 HydrophobicContact CD1-CD1 4.17Å; L1574-R1580 PolarHBondContact O-NE 3.05Å; L1574-R1580 PolarHBondContact O-NH2 3.43Å; L1574-R1580 VanDerWaalsContact O-NH2 3.14Å |
| 1575 | P | 80.4 | Confident | 87.5 | Confident | 50 Ų | 50 | 25.8 Ų | 25.8 | 33% | 0.325 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -78.8 | 44.1 | -179.8 | 35.1 | -36.7 | 0 | 0 | 0 | 112.6 | E1516 | E1516-P1575 HydrophobicContact CG-CG 4.22Å; E1516-P1575 WeakPolarHBondContact OE1-CG 3.48Å |
| 1576 | L | 83.2 | Confident | 87.4 | Confident | 28 Ų | 28 | 25.9 Ų | 25.9 | 15% | 0.147 | 14% | 0.135 | C | C | . | . | trans | -112.7 | 109.7 | -177.6 | -68.6 | 176.5 | 0 | 0 | 0 | 110.1 | R1538 L1574 R1578 I1579 R1580 | R1538-L1576 HydrophobicContact CB-CD1 4.04Å; L1574-L1576 PolarHBondContact O-N 3.28Å; L1576-R1578 VanDerWaalsContact C-N 3.27Å; L1576-R1578 PolarHBondContact O-N 3.35Å; L1576-I1579 HydrophobicContact CB-CB 4.27Å; L1576-I1579 HydrophobicContact CB-CD1 3.99Å; L1576-I1579 HydrophobicContact CB-CG1 3.99Å; L1576-I1579 HydrophobicContact CD1-CD1 3.52Å; L1576-I1579 HydrophobicContact CD1-CG1 4.27Å; L1576-I1579 HydrophobicContact CG-CD1 4.38Å; L1576-I1579 PolarHBondContact O-N 3.29Å; L1576-R1580 PolarHBondContact O-N 2.99Å | ||
| 1577 | P | 82.4 | Confident | 87.2 | Confident | 85 Ų | 85 | 25.5 Ų | 25.5 | 55% | 0.552 | 13% | 0.132 | S | C | * | . | H | α-helix | trans | -55.9 | -40.5 | -176.7 | -27 | 34.4 | 0 | 0 | 0 | 113.2 | I1579 R1580 E1581 | P1577-I1579 PolarHBondContact O-N 3.03Å; P1577-R1580 WeakPolarHBondContact O-CA 3.43Å; P1577-R1580 WeakPolarHBondContact O-CB 3.03Å; P1577-R1580 PolarHBondContact O-N 3.08Å; P1577-R1580 VanDerWaalsContact O-N 3.07Å; P1577-E1581 WeakPolarHBondContact O-CG 2.96Å; P1577-E1581 PolarHBondContact O-N 2.99Å |
| 1578 | R | 83.8 | Confident | 86.9 | Confident | 123 Ų | 123 | 25.2 Ų | 25.2 | 46% | 0.464 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -64.5 | -37.1 | -178.1 | -170 | 54.6 | 173.3 | -176.1 | 5.3 | 113.4 | Q1539 L1576 R1580 E1581 N1582 | Q1539-R1578 HydrophobicContact CG-CB 4.42Å; Q1539-R1578 HydrophobicContact CG-CG 4.17Å; L1576-R1578 VanDerWaalsContact C-N 3.27Å; L1576-R1578 PolarHBondContact O-N 3.35Å; R1578-R1580 VanDerWaalsContact C-N 3.31Å; R1578-E1581 WeakPolarHBondContact CD-OE2 3.47Å; R1578-E1581 IonicContact CZ-OE2 3.91Å; R1578-E1581 IonicContact NH1-OE2 3.58Å; R1578-E1581 PolarHBondContact NH1-OE2 3.06Å; R1578-E1581 PolarHBondContact O-N 3.2Å; R1578-N1582 VanDerWaalsContact O-CB 3.29Å; R1578-N1582 WeakPolarHBondContact O-CB 3.29Å; R1578-N1582 PolarHBondContact O-N 3.4Å; R1578-N1582 PolarHBondContact O-OD1 3.1Å |
| 1579 | I | 88.7 | Confident | 86.6 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -67.9 | -36.3 | 174.7 | -60.7 | -175.5 | 0 | 0 | 0 | 110.2 | R1538 Q1539 C1542 M1571 A1572 L1574 L1576 P1577 C1583 | R1538-I1579 HydrophobicContact CB-CD1 4.44Å; Q1539-I1579 HydrophobicContact CB-CD1 4.45Å; Q1539-I1579 HydrophobicContact CB-CG1 4.29Å; Q1539-I1579 HydrophobicContact CG-CG1 4.34Å; C1542-I1579 HydrophobicContact CB-CD1 4.36Å; C1542-I1579 HydrophobicContact CB-CG1 4.24Å; C1542-I1579 HydrophobicContact CB-CG2 4.48Å; M1571-I1579 HydrophobicContact CB-CG2 3.9Å; A1572-I1579 HydrophobicContact CB-CG2 4.44Å; L1574-I1579 HydrophobicContact CD1-CD1 4.17Å; L1576-I1579 HydrophobicContact CB-CB 4.27Å; L1576-I1579 HydrophobicContact CB-CD1 3.99Å; L1576-I1579 HydrophobicContact CB-CG1 3.99Å; L1576-I1579 HydrophobicContact CD1-CD1 3.52Å; L1576-I1579 HydrophobicContact CD1-CG1 4.27Å; L1576-I1579 HydrophobicContact CG-CD1 4.38Å; L1576-I1579 PolarHBondContact O-N 3.29Å; P1577-I1579 PolarHBondContact O-N 3.03Å; I1579-C1583 VanDerWaalsContact O-CB 3.25Å; I1579-C1583 WeakPolarHBondContact O-CB 3.48Å; I1579-C1583 PolarHBondContact O-N 3.39Å |
| 1580 | R | 89.5 | Confident | 86.4 | Confident | 10 Ų | 10 | 27.3 Ų | 27.3 | 4% | 0.038 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -68 | -42.5 | 176.6 | -64.2 | 174.5 | -177.9 | -176.6 | -5.8 | 111.9 | A1572 L1574 L1576 P1577 R1578 C1583 V1584 D1620 I1621 L1624 | A1572-R1580 HydrophobicContact CB-CG 4.44Å; A1572-R1580 PolarHBondContact O-NE 3.31Å; L1574-R1580 PolarHBondContact O-NE 3.05Å; L1574-R1580 PolarHBondContact O-NH2 3.43Å; L1574-R1580 VanDerWaalsContact O-NH2 3.14Å; L1576-R1580 PolarHBondContact O-N 2.99Å; P1577-R1580 WeakPolarHBondContact O-CA 3.43Å; P1577-R1580 WeakPolarHBondContact O-CB 3.03Å; P1577-R1580 PolarHBondContact O-N 3.08Å; P1577-R1580 VanDerWaalsContact O-N 3.07Å; R1578-R1580 VanDerWaalsContact C-N 3.31Å; R1580-C1583 WeakPolarHBondContact O-CB 3.21Å; R1580-C1583 PolarHBondContact O-N 3.25Å; R1580-V1584 WeakPolarHBondContact O-CG2 3.49Å; R1580-V1584 PolarHBondContact O-N 3.44Å; R1580-D1620 IonicContact CZ-OD2 2.94Å; R1580-D1620 IonicContact NH1-OD2 2.68Å; R1580-D1620 PolarHBondContact NH1-OD2 3.11Å; R1580-I1621 HydrophobicContact CB-CD1 4.01Å; R1580-I1621 HydrophobicContact CG-CD1 4.24Å; R1580-L1624 HydrophobicContact CB-CD1 3.7Å |
| 1581 | E | 86.9 | Confident | 86.3 | Confident | 70 Ų | 70 | 26.3 Ų | 26.3 | 33% | 0.327 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -56.8 | -54.6 | 171 | -71.6 | 170.9 | -170.2 | 0 | 0 | 110.7 | P1577 R1578 C1583 V1584 D1585 L1624 | P1577-E1581 WeakPolarHBondContact O-CG 2.96Å; P1577-E1581 PolarHBondContact O-N 2.99Å; R1578-E1581 WeakPolarHBondContact CD-OE2 3.47Å; R1578-E1581 IonicContact CZ-OE2 3.91Å; R1578-E1581 IonicContact NH1-OE2 3.58Å; R1578-E1581 PolarHBondContact NH1-OE2 3.06Å; R1578-E1581 PolarHBondContact O-N 3.2Å; E1581-C1583 PolarHBondContact O-N 2.78Å; E1581-V1584 PolarHBondContact O-N 3.48Å; E1581-D1585 PolarHBondContact O-N 3.39Å; E1581-L1624 HydrophobicContact CG-CD2 4.16Å |
| 1582 | N | 88.5 | Confident | 85.9 | Confident | 13 Ų | 13 | 29.9 Ų | 29.9 | 7% | 0.07 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -56.9 | -37.1 | 177.7 | -78.6 | 4.3 | 0 | 0 | 0 | 112.7 | D1543 L1546 R1578 D1585 C1586 | D1543-N1582 PolarHBondContact OD1-ND2 3.3Å; L1546-N1582 HydrophobicContact CD1-CB 3.59Å; R1578-N1582 VanDerWaalsContact O-CB 3.29Å; R1578-N1582 WeakPolarHBondContact O-CB 3.29Å; R1578-N1582 PolarHBondContact O-N 3.4Å; R1578-N1582 PolarHBondContact O-OD1 3.1Å; N1582-D1585 PolarHBondContact O-N 3.47Å; N1582-C1586 VanDerWaalsContact O-CB 3.31Å; N1582-C1586 WeakPolarHBondContact O-CB 3.4Å; N1582-C1586 PolarHBondContact O-N 3.11Å |
| 1583 | C | 90.2 | Very high | 85.7 | Confident | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.014 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.9 | -45.6 | 175.7 | 178.5 | 0 | 0 | 0 | 0 | 111.7 | V1568 A1572 I1579 R1580 E1581 C1586 I1587 | V1568-C1583 HydrophobicContact CG1-CB 3.67Å; A1572-C1583 HydrophobicContact CB-CB 3.77Å; I1579-C1583 VanDerWaalsContact O-CB 3.25Å; I1579-C1583 WeakPolarHBondContact O-CB 3.48Å; I1579-C1583 PolarHBondContact O-N 3.39Å; R1580-C1583 WeakPolarHBondContact O-CB 3.21Å; R1580-C1583 PolarHBondContact O-N 3.25Å; E1581-C1583 PolarHBondContact O-N 2.78Å; C1583-C1586 WeakPolarHBondContact O-CB 3.07Å; C1583-C1586 PolarHBondContact O-N 3.22Å; C1583-I1587 WeakPolarHBondContact O-CD1 3.41Å; C1583-I1587 VanDerWaalsContact O-CG1 3.28Å; C1583-I1587 WeakPolarHBondContact O-CG1 3.32Å; C1583-I1587 PolarHBondContact O-N 3.11Å |
| 1584 | V | 87.7 | Confident | 85.6 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.006 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.1 | -43.3 | 175.8 | 170.5 | 0 | 0 | 0 | 0 | 110.8 | R1580 E1581 C1586 I1587 L1588 I1621 L1624 L1625 E1628 | R1580-V1584 WeakPolarHBondContact O-CG2 3.49Å; R1580-V1584 PolarHBondContact O-N 3.44Å; E1581-V1584 PolarHBondContact O-N 3.48Å; V1584-C1586 VanDerWaalsContact C-N 3.32Å; V1584-C1586 PolarHBondContact O-N 2.7Å; V1584-I1587 PolarHBondContact O-N 3.45Å; V1584-L1588 HydrophobicContact CG1-CD1 3.98Å; V1584-L1588 HydrophobicContact CG1-CG 4.34Å; V1584-L1588 VanDerWaalsContact O-CG 3.3Å; V1584-L1588 WeakPolarHBondContact O-CG 3.33Å; V1584-L1588 PolarHBondContact O-N 3.13Å; V1584-I1621 HydrophobicContact CG2-CD1 4.19Å; V1584-L1624 HydrophobicContact CG2-CB 3.87Å; V1584-L1625 HydrophobicContact CG1-CD2 3.89Å; V1584-L1625 HydrophobicContact CG1-CG 4.34Å; V1584-L1625 HydrophobicContact CG2-CD2 4.27Å; V1584-L1625 HydrophobicContact CG2-CG 4.11Å; V1584-E1628 HydrophobicContact CG1-CB 4.44Å; V1584-E1628 HydrophobicContact CG1-CG 4.29Å |
| 1585 | D | 85.8 | Confident | 85.5 | Confident | 76 Ų | 76 | 34.6 Ų | 34.6 | 41% | 0.406 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -60.4 | -42.1 | 175 | -73.3 | -21.7 | 0 | 0 | 0 | 111.9 | E1581 N1582 L1588 N1589 | E1581-D1585 PolarHBondContact O-N 3.39Å; N1582-D1585 PolarHBondContact O-N 3.47Å; D1585-L1588 PolarHBondContact O-N 2.9Å; D1585-N1589 VanDerWaalsContact O-CB 3.26Å; D1585-N1589 WeakPolarHBondContact O-CB 3.46Å; D1585-N1589 PolarHBondContact O-N 3.44Å |
| 1586 | C | 88.3 | Confident | 85.4 | Confident | 6 Ų | 6 | 35.7 Ų | 35.7 | 4% | 0.041 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.2 | -42.4 | 175.5 | -172.3 | 0 | 0 | 0 | 0 | 111.9 | L1546 V1568 N1582 C1583 V1584 N1589 A1590 | L1546-C1586 HydrophobicContact CD2-CB 3.97Å; V1568-C1586 HydrophobicContact CG1-CB 4.37Å; N1582-C1586 VanDerWaalsContact O-CB 3.31Å; N1582-C1586 WeakPolarHBondContact O-CB 3.4Å; N1582-C1586 PolarHBondContact O-N 3.11Å; C1583-C1586 WeakPolarHBondContact O-CB 3.07Å; C1583-C1586 PolarHBondContact O-N 3.22Å; V1584-C1586 VanDerWaalsContact C-N 3.32Å; V1584-C1586 PolarHBondContact O-N 2.7Å; C1586-N1589 PolarHBondContact O-N 3.37Å; C1586-A1590 VanDerWaalsContact O-CB 3.32Å; C1586-A1590 WeakPolarHBondContact O-CB 2.9Å; C1586-A1590 PolarHBondContact O-N 2.61Å |
| 1587 | I | 86.2 | Confident | 85.4 | Confident | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.2 | -48.4 | 175.8 | -69.5 | 156.2 | 0 | 0 | 0 | 110.3 | L1565 C1583 V1584 N1589 A1590 L1591 F1602 | L1565-I1587 HydrophobicContact CD1-CG1 3.55Å; C1583-I1587 WeakPolarHBondContact O-CD1 3.41Å; C1583-I1587 VanDerWaalsContact O-CG1 3.28Å; C1583-I1587 WeakPolarHBondContact O-CG1 3.32Å; C1583-I1587 PolarHBondContact O-N 3.11Å; V1584-I1587 PolarHBondContact O-N 3.45Å; I1587-N1589 VanDerWaalsContact C-N 3.34Å; I1587-N1589 PolarHBondContact O-N 2.77Å; I1587-A1590 PolarHBondContact O-N 2.77Å; I1587-L1591 HydrophobicContact CG2-CD1 4.11Å; I1587-L1591 HydrophobicContact CG2-CG 4.46Å; I1587-L1591 WeakPolarHBondContact O-CG 3.4Å; I1587-L1591 PolarHBondContact O-N 2.83Å; I1587-F1602 HydrophobicContact CD1-CD2 3.96Å; I1587-F1602 HydrophobicContact CD1-CE2 3.53Å; I1587-F1602 HydrophobicContact CG1-CD2 4.24Å; I1587-F1602 HydrophobicContact CG1-CE2 4.29Å |
| 1588 | L | 84.4 | Confident | 85.5 | Confident | 12 Ų | 12 | 32.3 Ų | 32.3 | 6% | 0.063 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.5 | -40.8 | -179.6 | -69.1 | 174.8 | 0 | 0 | 0 | 111.5 | V1584 D1585 L1591 T1592 E1628 I1656 | V1584-L1588 HydrophobicContact CG1-CD1 3.98Å; V1584-L1588 HydrophobicContact CG1-CG 4.34Å; V1584-L1588 VanDerWaalsContact O-CG 3.3Å; V1584-L1588 WeakPolarHBondContact O-CG 3.33Å; V1584-L1588 PolarHBondContact O-N 3.13Å; D1585-L1588 PolarHBondContact O-N 2.9Å; L1588-L1591 HydrophobicContact CD2-CD1 4.46Å; L1588-L1591 PolarHBondContact O-N 3.21Å; L1588-T1592 WeakPolarHBondContact O-CG2 3.26Å; L1588-T1592 PolarHBondContact O-N 2.83Å; L1588-E1628 HydrophobicContact CD1-CB 3.94Å; L1588-I1656 HydrophobicContact CD2-CD1 3.93Å |
| 1589 | N | 85.8 | Confident | 85.4 | Confident | 43 Ų | 43 | 28.4 Ų | 28.4 | 23% | 0.23 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.9 | -48.2 | 174.1 | -170.6 | -14 | 0 | 0 | 0 | 111 | W1549 D1585 C1586 I1587 L1591 T1592 I1593 | W1549-N1589 PolarHBondContact NE1-ND2 3.43Å; D1585-N1589 VanDerWaalsContact O-CB 3.26Å; D1585-N1589 WeakPolarHBondContact O-CB 3.46Å; D1585-N1589 PolarHBondContact O-N 3.44Å; C1586-N1589 PolarHBondContact O-N 3.37Å; I1587-N1589 VanDerWaalsContact C-N 3.34Å; I1587-N1589 PolarHBondContact O-N 2.77Å; N1589-L1591 VanDerWaalsContact C-N 3.28Å; N1589-L1591 PolarHBondContact O-N 2.98Å; N1589-T1592 PolarHBondContact O-N 2.96Å; N1589-T1592 PolarHBondContact O-OG1 2.9Å; N1589-I1593 PolarHBondContact O-N 2.84Å |
| 1590 | A | 87.2 | Confident | 85 | Confident | 3 Ų | 3 | 32.5 Ų | 32.5 | 3% | 0.025 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.5 | -36.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | W1549 C1586 I1587 T1592 I1593 H1594 V1598 | W1549-A1590 HydrophobicContact CZ2-CB 4.35Å; C1586-A1590 VanDerWaalsContact O-CB 3.32Å; C1586-A1590 WeakPolarHBondContact O-CB 2.9Å; C1586-A1590 PolarHBondContact O-N 2.61Å; I1587-A1590 PolarHBondContact O-N 2.77Å; A1590-T1592 VanDerWaalsContact C-N 3.3Å; A1590-T1592 PolarHBondContact O-N 3.08Å; A1590-I1593 PolarHBondContact O-N 3.26Å; A1590-I1593 VanDerWaalsContact O-N 3.13Å; A1590-H1594 PolarHBondContact O-N 3.24Å; A1590-V1598 HydrophobicContact CB-CG2 3.53Å; A1590-V1598 WeakPolarHBondContact O-CG2 3.4Å |
| 1591 | L | 83.7 | Confident | 84.7 | Confident | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.016 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.8 | -30.1 | 174.6 | -75.5 | 172.1 | 0 | 0 | 0 | 113.1 | I1587 L1588 N1589 I1593 A1595 V1598 Q1652 V1655 I1656 F1659 | I1587-L1591 HydrophobicContact CG2-CD1 4.11Å; I1587-L1591 HydrophobicContact CG2-CG 4.46Å; I1587-L1591 WeakPolarHBondContact O-CG 3.4Å; I1587-L1591 PolarHBondContact O-N 2.83Å; L1588-L1591 HydrophobicContact CD2-CD1 4.46Å; L1588-L1591 PolarHBondContact O-N 3.21Å; N1589-L1591 VanDerWaalsContact C-N 3.28Å; N1589-L1591 PolarHBondContact O-N 2.98Å; L1591-I1593 VanDerWaalsContact C-N 3.27Å; L1591-A1595 HydrophobicContact CD2-CB 4.27Å; L1591-V1598 HydrophobicContact CD2-CB 3.95Å; L1591-V1598 HydrophobicContact CD2-CG1 3.68Å; L1591-V1598 HydrophobicContact CG-CG1 3.93Å; L1591-Q1652 PolarHBondContact O-NE2 2.98Å; L1591-V1655 HydrophobicContact CD2-CG1 3.94Å; L1591-I1656 HydrophobicContact CD1-CD1 4.46Å; L1591-I1656 HydrophobicContact CD1-CG1 4.1Å; L1591-F1659 HydrophobicContact CD1-CE2 4.44Å; L1591-F1659 HydrophobicContact CD2-CE2 4.47Å |
| 1592 | T | 82.6 | Confident | 84.6 | Confident | 74 Ų | 74 | 29.7 Ų | 29.7 | 45% | 0.454 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -71.6 | -24.5 | 173.5 | 64 | 0 | 0 | 0 | 0 | 112.8 | L1588 N1589 A1590 | L1588-T1592 WeakPolarHBondContact O-CG2 3.26Å; L1588-T1592 PolarHBondContact O-N 2.83Å; N1589-T1592 PolarHBondContact O-N 2.96Å; N1589-T1592 PolarHBondContact O-OG1 2.9Å; A1590-T1592 VanDerWaalsContact C-N 3.3Å; A1590-T1592 PolarHBondContact O-N 3.08Å |
| 1593 | I | 85.1 | Confident | 84.2 | Confident | 37 Ų | 37 | 29.1 Ų | 29.1 | 19% | 0.19 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -87 | -56 | -178.9 | -64.3 | 158.6 | 0 | 0 | 0 | 110.8 | W1549 K1557 V1558 I1561 N1589 A1590 L1591 | W1549-I1593 HydrophobicContact CH2-CD1 4.12Å; W1549-I1593 HydrophobicContact CZ2-CD1 3.66Å; K1557-I1593 HydrophobicContact CB-CD1 3.89Å; K1557-I1593 HydrophobicContact CB-CG2 4.25Å; K1557-I1593 HydrophobicContact CD-CD1 3.45Å; K1557-I1593 VanDerWaalsContact CD-CD1 3.45Å; K1557-I1593 HydrophobicContact CG-CD1 4.3Å; V1558-I1593 HydrophobicContact CG2-CG2 3.63Å; I1561-I1593 HydrophobicContact CD1-CG2 4.5Å; N1589-I1593 PolarHBondContact O-N 2.84Å; A1590-I1593 PolarHBondContact O-N 3.26Å; A1590-I1593 VanDerWaalsContact O-N 3.13Å; L1591-I1593 VanDerWaalsContact C-N 3.27Å |
| 1594 | H | 83.7 | Confident | 83.6 | Confident | 68 Ų | 68 | 31.2 Ų | 31.2 | 32% | 0.315 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -155.4 | 88.7 | -178.4 | -167 | -101.6 | 0 | 0 | 0 | 113.7 | V1558 I1561 A1590 T1597 V1598 | V1558-H1594 HydrophobicContact CG1-CB 4.17Å; V1558-H1594 HydrophobicContact CG2-CB 4.32Å; I1561-H1594 HydrophobicContact CD1-CB 4.07Å; A1590-H1594 PolarHBondContact O-N 3.24Å; H1594-T1597 PolarHBondContact CE1-OG1 3.18Å; H1594-T1597 VanDerWaalsContact ND1-CB 3.35Å; H1594-T1597 WeakPolarHBondContact ND1-CB 3.49Å; H1594-T1597 PolarHBondContact ND1-N 3.05Å; H1594-T1597 PolarHBondContact ND1-OG1 3.11Å; H1594-T1597 PolarHBondContact O-N 3.34Å; H1594-V1598 WeakPolarHBondContact O-CG2 3.31Å; H1594-V1598 PolarHBondContact O-N 3.3Å |
| 1595 | A | 81.3 | Confident | 83.3 | Confident | 21 Ų | 21 | 31.6 Ų | 31.6 | 17% | 0.174 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -53.9 | -43.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | L1591 T1597 V1598 E1599 | L1591-A1595 HydrophobicContact CD2-CB 4.27Å; A1595-T1597 PolarHBondContact O-N 2.75Å; A1595-V1598 PolarHBondContact O-N 3.1Å; A1595-E1599 PolarHBondContact O-N 3.22Å |
| 1596 | P | 78.8 | Confident | 83.2 | Confident | 73 Ų | 73 | 28.1 Ų | 28.1 | 47% | 0.474 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -64.2 | -40.2 | -176 | -22.6 | 33.3 | 0 | 0 | 0 | 114.2 | E1599 N1600 | P1596-E1599 PolarHBondContact O-N 2.83Å; P1596-N1600 PolarHBondContact O-N 3.08Å |
| 1597 | T | 82.6 | Confident | 82.7 | Confident | 42 Ų | 42 | 27.9 Ų | 27.9 | 26% | 0.258 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -68.8 | -39.6 | 178.7 | -58.9 | 0 | 0 | 0 | 0 | 110.9 | I1561 H1594 A1595 E1599 N1600 V1601 | I1561-T1597 HydrophobicContact CB-CG2 4.34Å; I1561-T1597 HydrophobicContact CG2-CG2 4.08Å; H1594-T1597 PolarHBondContact CE1-OG1 3.18Å; H1594-T1597 VanDerWaalsContact ND1-CB 3.35Å; H1594-T1597 WeakPolarHBondContact ND1-CB 3.49Å; H1594-T1597 PolarHBondContact ND1-N 3.05Å; H1594-T1597 PolarHBondContact ND1-OG1 3.11Å; H1594-T1597 PolarHBondContact O-N 3.34Å; A1595-T1597 PolarHBondContact O-N 2.75Å; T1597-E1599 VanDerWaalsContact C-N 3.34Å; T1597-N1600 PolarHBondContact O-N 3.05Å; T1597-V1601 HydrophobicContact CG2-CG2 4.32Å; T1597-V1601 WeakPolarHBondContact O-CG2 3.24Å; T1597-V1601 PolarHBondContact O-N 2.64Å |
| 1598 | V | 85.4 | Confident | 82.3 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63 | -42.7 | 176.9 | 176.5 | 0 | 0 | 0 | 0 | 110.8 | I1561 L1565 A1590 L1591 H1594 A1595 N1600 V1601 F1602 | I1561-V1598 HydrophobicContact CD1-CG2 4.09Å; I1561-V1598 HydrophobicContact CG2-CG2 3.85Å; L1565-V1598 HydrophobicContact CD2-CG1 3.94Å; A1590-V1598 HydrophobicContact CB-CG2 3.53Å; A1590-V1598 WeakPolarHBondContact O-CG2 3.4Å; L1591-V1598 HydrophobicContact CD2-CB 3.95Å; L1591-V1598 HydrophobicContact CD2-CG1 3.68Å; L1591-V1598 HydrophobicContact CG-CG1 3.93Å; H1594-V1598 WeakPolarHBondContact O-CG2 3.31Å; H1594-V1598 PolarHBondContact O-N 3.3Å; A1595-V1598 PolarHBondContact O-N 3.1Å; V1598-N1600 VanDerWaalsContact C-N 3.33Å; V1598-N1600 PolarHBondContact O-N 2.65Å; V1598-V1601 PolarHBondContact O-N 3.15Å; V1598-F1602 WeakPolarHBondContact O-CB 3.36Å; V1598-F1602 PolarHBondContact O-N 3.48Å |
| 1599 | E | 80 | Confident | 82 | Confident | 42 Ų | 42 | 29.9 Ų | 29.9 | 20% | 0.196 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.5 | -42.9 | 175.3 | -165.5 | -175.5 | 158.7 | 0 | 0 | 112.2 | A1595 P1596 T1597 V1603 V1655 F1659 R1697 | A1595-E1599 PolarHBondContact O-N 3.22Å; P1596-E1599 PolarHBondContact O-N 2.83Å; T1597-E1599 VanDerWaalsContact C-N 3.34Å; E1599-V1603 HydrophobicContact CG-CG2 4.3Å; E1599-V1603 WeakPolarHBondContact O-CB 3.45Å; E1599-V1603 WeakPolarHBondContact O-CG2 3.37Å; E1599-V1603 PolarHBondContact O-N 3.48Å; E1599-V1603 VanDerWaalsContact O-N 3.15Å; E1599-V1655 HydrophobicContact CG-CG1 4.42Å; E1599-F1659 HydrophobicContact CB-CE1 4.41Å; E1599-F1659 HydrophobicContact CB-CZ 4.36Å; E1599-F1659 HydrophobicContact CG-CE1 3.92Å; E1599-F1659 HydrophobicContact CG-CZ 4.35Å; E1599-R1697 PolarHBondContact O-NH1 3.48Å; E1599-R1697 VanDerWaalsContact O-NH1 3.13Å |
| 1600 | N | 80.5 | Confident | 81.5 | Confident | 85 Ų | 85 | 28.3 Ų | 28.3 | 46% | 0.455 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -66.2 | -47.4 | 178.6 | -70.6 | -13.9 | 0 | 0 | 0 | 112.7 | P1596 T1597 V1598 S1604 R1697 | P1596-N1600 PolarHBondContact O-N 3.08Å; T1597-N1600 PolarHBondContact O-N 3.05Å; V1598-N1600 VanDerWaalsContact C-N 3.33Å; V1598-N1600 PolarHBondContact O-N 2.65Å; N1600-S1604 PolarHBondContact O-N 2.85Å; N1600-S1604 PolarHBondContact O-OG 3.04Å; N1600-R1697 PolarHBondContact OD1-NH1 2.92Å |
| 1601 | V | 84.1 | Confident | 80.5 | Confident | 20 Ų | 20 | 30.9 Ų | 30.9 | 12% | 0.121 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -71.7 | -42.3 | -177.2 | 176.9 | 0 | 0 | 0 | 0 | 111.6 | H1562 L1565 P1566 T1597 V1598 S1604 E1605 | H1562-V1601 HydrophobicContact CB-CG2 4.27Å; L1565-V1601 HydrophobicContact CB-CG1 4.1Å; L1565-V1601 HydrophobicContact CD2-CB 4.11Å; L1565-V1601 HydrophobicContact CD2-CG1 3.92Å; L1565-V1601 HydrophobicContact CG-CG1 4.17Å; P1566-V1601 HydrophobicContact CG-CG1 3.63Å; T1597-V1601 HydrophobicContact CG2-CG2 4.32Å; T1597-V1601 WeakPolarHBondContact O-CG2 3.24Å; T1597-V1601 PolarHBondContact O-N 2.64Å; V1598-V1601 PolarHBondContact O-N 3.15Å; V1601-S1604 PolarHBondContact O-OG 2.92Å; V1601-E1605 VanDerWaalsContact O-CB 3.3Å; V1601-E1605 WeakPolarHBondContact O-CB 3.35Å; V1601-E1605 PolarHBondContact O-N 3.4Å |
| 1602 | F | 83.7 | Confident | 79.6 | Confident | 1 Ų | 1 | 34 Ų | 34 | 0% | 0.004 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.2 | -48.7 | 179.3 | -177.9 | -97.1 | 0 | 0 | 0 | 111.6 | L1565 I1569 I1587 V1598 S1604 E1605 I1606 L1625 F1659 I1663 | L1565-F1602 HydrophobicContact CD2-CB 4.23Å; I1569-F1602 HydrophobicContact CD1-CD2 3.84Å; I1569-F1602 HydrophobicContact CD1-CE2 4.4Å; I1587-F1602 HydrophobicContact CD1-CD2 3.96Å; I1587-F1602 HydrophobicContact CD1-CE2 3.53Å; I1587-F1602 HydrophobicContact CG1-CD2 4.24Å; I1587-F1602 HydrophobicContact CG1-CE2 4.29Å; V1598-F1602 WeakPolarHBondContact O-CB 3.36Å; V1598-F1602 PolarHBondContact O-N 3.48Å; F1602-S1604 VanDerWaalsContact C-N 3.29Å; F1602-S1604 PolarHBondContact O-N 2.91Å; F1602-E1605 PolarHBondContact O-N 2.96Å; F1602-I1606 HydrophobicContact CD1-CG1 4.05Å; F1602-I1606 HydrophobicContact CD2-CG1 3.87Å; F1602-I1606 HydrophobicContact CE1-CB 4.46Å; F1602-I1606 HydrophobicContact CE1-CG1 3.73Å; F1602-I1606 HydrophobicContact CE2-CD1 3.9Å; F1602-I1606 HydrophobicContact CE2-CG1 3.51Å; F1602-I1606 HydrophobicContact CG-CG1 4.14Å; F1602-I1606 HydrophobicContact CZ-CD1 3.94Å; F1602-I1606 HydrophobicContact CZ-CG1 3.47Å; F1602-I1606 VanDerWaalsContact CZ-CG1 3.47Å; F1602-I1606 VanDerWaalsContact O-CB 3.27Å; F1602-I1606 WeakPolarHBondContact O-CB 3.32Å; F1602-I1606 WeakPolarHBondContact O-CG1 3.44Å; F1602-I1606 PolarHBondContact O-N 3.42Å; F1602-L1625 HydrophobicContact CZ-CD1 4.43Å; F1602-F1659 HydrophobicContact CB-CE1 4.32Å; F1602-F1659 HydrophobicContact CB-CE2 4.35Å; F1602-F1659 HydrophobicContact CB-CZ 3.92Å; F1602-F1659 HydrophobicContact CD1-CB 4.37Å; F1602-F1659 AromaticContact CD1-CD1 3.48Å; F1602-F1659 HydrophobicContact CD1-CD1 3.48Å; F1602-F1659 VanDerWaalsContact CD1-CD1 3.48Å; F1602-F1659 AromaticContact CD1-CD2 3.69Å; F1602-F1659 HydrophobicContact CD1-CD2 3.69Å; F1602-F1659 AromaticContact CD1-CE1 3.49Å; F1602-F1659 HydrophobicContact CD1-CE1 3.49Å; F1602-F1659 VanDerWaalsContact CD1-CE1 3.49Å; F1602-F1659 AromaticContact CD1-CE2 3.69Å; F1602-F1659 HydrophobicContact CD1-CE2 3.69Å; F1602-F1659 AromaticContact CD1-CG 3.59Å; F1602-F1659 HydrophobicContact CD1-CG 3.59Å; F1602-F1659 AromaticContact CD1-CZ 3.6Å; F1602-F1659 HydrophobicContact CD1-CZ 3.6Å; F1602-F1659 HydrophobicContact CE1-CB 3.69Å; F1602-F1659 AromaticContact CE1-CD1 3.7Å; F1602-F1659 HydrophobicContact CE1-CD1 3.7Å; F1602-F1659 AromaticContact CE1-CD2 3.6Å; F1602-F1659 HydrophobicContact CE1-CD2 3.6Å; F1602-F1659 HydrophobicContact CE1-CE1 4.18Å; F1602-F1659 HydrophobicContact CE1-CE2 4.09Å; F1602-F1659 AromaticContact CE1-CG 3.38Å; F1602-F1659 HydrophobicContact CE1-CG 3.38Å; F1602-F1659 HydrophobicContact CE1-CZ 4.35Å; F1602-F1659 HydrophobicContact CG-CD2 4.35Å; F1602-F1659 HydrophobicContact CG-CE1 4.25Å; F1602-F1659 AromaticContact CG-CE2 4Å; F1602-F1659 HydrophobicContact CG-CE2 4Å; F1602-F1659 AromaticContact CG-CZ 3.95Å; F1602-F1659 HydrophobicContact CG-CZ 3.95Å; F1602-F1659 HydrophobicContact CZ-CB 4.43Å; F1602-F1659 HydrophobicContact CZ-CD2 4.21Å; F1602-F1659 HydrophobicContact CZ-CG 4.31Å; F1602-I1663 HydrophobicContact CZ-CD1 4.34Å |
| 1603 | V | 80.4 | Confident | 78.9 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.5 | -42.6 | -178.5 | 171 | 0 | 0 | 0 | 0 | 110.6 | E1599 D1607 F1659 Q1662 Y1692 M1700 | E1599-V1603 HydrophobicContact CG-CG2 4.3Å; E1599-V1603 WeakPolarHBondContact O-CB 3.45Å; E1599-V1603 WeakPolarHBondContact O-CG2 3.37Å; E1599-V1603 PolarHBondContact O-N 3.48Å; E1599-V1603 VanDerWaalsContact O-N 3.15Å; V1603-D1607 VanDerWaalsContact O-CB 3.3Å; V1603-D1607 WeakPolarHBondContact O-CB 3.09Å; V1603-D1607 PolarHBondContact O-N 3.01Å; V1603-F1659 HydrophobicContact CG2-CD1 4.36Å; V1603-F1659 HydrophobicContact CG2-CE1 3.94Å; V1603-Q1662 VanDerWaalsContact CG1-NE2 3.32Å; V1603-Q1662 PolarHBondContact O-NE2 3.33Å; V1603-Y1692 HydrophobicContact CG1-CE1 4.02Å; V1603-M1700 HydrophobicContact CG1-CE 4.01Å; V1603-M1700 HydrophobicContact CG1-CG 3.89Å; V1603-M1700 HydrophobicContact CG1-SD 4.39Å |
| 1604 | S | 78.7 | Confident | 77.9 | Confident | 46 Ų | 46 | 31 Ų | 31 | 32% | 0.322 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -70.5 | -41.6 | 179.3 | 55 | 0 | 0 | 0 | 0 | 113.1 | N1600 V1601 F1602 R1608 M1700 | N1600-S1604 PolarHBondContact O-N 2.85Å; N1600-S1604 PolarHBondContact O-OG 3.04Å; V1601-S1604 PolarHBondContact O-OG 2.92Å; F1602-S1604 VanDerWaalsContact C-N 3.29Å; F1602-S1604 PolarHBondContact O-N 2.91Å; S1604-R1608 PolarHBondContact O-N 3.18Å; S1604-M1700 VanDerWaalsContact CA-CE 3.48Å |
| 1605 | E | 82.1 | Confident | 77.3 | Confident | 10 Ų | 10 | 31.1 Ų | 31.1 | 5% | 0.047 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -74.5 | -40.6 | -178.5 | -170.1 | 71.6 | 166.4 | 0 | 0 | 112.6 | P1566 I1569 N1570 V1601 F1602 D1607 R1608 V1609 | P1566-E1605 HydrophobicContact CB-CG 4.28Å; I1569-E1605 HydrophobicContact CB-CG 3.98Å; I1569-E1605 HydrophobicContact CD1-CB 4.01Å; I1569-E1605 HydrophobicContact CD1-CG 4Å; I1569-E1605 HydrophobicContact CG2-CG 3.75Å; N1570-E1605 PolarHBondContact ND2-OE1 3.21Å; N1570-E1605 PolarHBondContact OD1-OE1 3.27Å; V1601-E1605 VanDerWaalsContact O-CB 3.3Å; V1601-E1605 WeakPolarHBondContact O-CB 3.35Å; V1601-E1605 PolarHBondContact O-N 3.4Å; F1602-E1605 PolarHBondContact O-N 2.96Å; E1605-D1607 VanDerWaalsContact C-N 3.34Å; E1605-D1607 PolarHBondContact O-N 3.23Å; E1605-R1608 VanDerWaalsContact CD-NH2 3.33Å; E1605-R1608 WeakPolarHBondContact O-CB 3.41Å; E1605-R1608 PolarHBondContact O-N 3.38Å; E1605-R1608 VanDerWaalsContact O-N 3.12Å; E1605-R1608 IonicContact OE1-CZ 2.75Å; E1605-R1608 IonicContact OE1-NE 2.8Å; E1605-R1608 IonicContact OE1-NH2 3.95Å; E1605-R1608 PolarHBondContact OE1-NH2 3.31Å; E1605-R1608 IonicContact OE2-CZ 2.79Å; E1605-R1608 IonicContact OE2-NE 2.67Å; E1605-R1608 PolarHBondContact OE2-NE 3.06Å; E1605-R1608 IonicContact OE2-NH2 2.67Å; E1605-R1608 PolarHBondContact OE2-NH2 3.28Å; E1605-V1609 HydrophobicContact CG-CG2 4.16Å; E1605-V1609 WeakPolarHBondContact O-CB 3.3Å; E1605-V1609 WeakPolarHBondContact O-CG2 3.39Å; E1605-V1609 PolarHBondContact O-N 3.39Å |
| 1606 | I | 82.2 | Confident | 76.7 | Confident | 3 Ų | 3 | 34.8 Ų | 34.8 | 2% | 0.015 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.9 | -41.5 | 174.8 | -75.5 | -68.1 | 0 | 0 | 0 | 111 | I1569 F1602 R1608 V1609 V1610 F1617 I1663 L1666 | I1569-I1606 HydrophobicContact CG2-CD1 4.14Å; F1602-I1606 HydrophobicContact CD1-CG1 4.05Å; F1602-I1606 HydrophobicContact CD2-CG1 3.87Å; F1602-I1606 HydrophobicContact CE1-CB 4.46Å; F1602-I1606 HydrophobicContact CE1-CG1 3.73Å; F1602-I1606 HydrophobicContact CE2-CD1 3.9Å; F1602-I1606 HydrophobicContact CE2-CG1 3.51Å; F1602-I1606 HydrophobicContact CG-CG1 4.14Å; F1602-I1606 HydrophobicContact CZ-CD1 3.94Å; F1602-I1606 HydrophobicContact CZ-CG1 3.47Å; F1602-I1606 VanDerWaalsContact CZ-CG1 3.47Å; F1602-I1606 VanDerWaalsContact O-CB 3.27Å; F1602-I1606 WeakPolarHBondContact O-CB 3.32Å; F1602-I1606 WeakPolarHBondContact O-CG1 3.44Å; F1602-I1606 PolarHBondContact O-N 3.42Å; I1606-R1608 PolarHBondContact O-N 3.16Å; I1606-V1609 PolarHBondContact O-N 3.32Å; I1606-V1610 HydrophobicContact CG2-CG2 3.73Å; I1606-V1610 VanDerWaalsContact O-CB 3.26Å; I1606-V1610 WeakPolarHBondContact O-CB 3.32Å; I1606-V1610 VanDerWaalsContact O-CG2 3.23Å; I1606-V1610 WeakPolarHBondContact O-CG2 3.38Å; I1606-V1610 PolarHBondContact O-N 3.45Å; I1606-F1617 HydrophobicContact CD1-CE1 4.39Å; I1606-F1617 HydrophobicContact CD1-CZ 4.29Å; I1606-I1663 HydrophobicContact CG2-CG1 4.19Å; I1606-L1666 HydrophobicContact CG2-CD1 3.66Å |
| 1607 | D | 77.5 | Confident | 76.8 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.9 | -39.1 | 173 | -174.6 | 86.9 | 0 | 0 | 0 | 112.2 | V1603 E1605 Q1611 L1666 R1703 Y1704 R1707 | V1603-D1607 VanDerWaalsContact O-CB 3.3Å; V1603-D1607 WeakPolarHBondContact O-CB 3.09Å; V1603-D1607 PolarHBondContact O-N 3.01Å; E1605-D1607 VanDerWaalsContact C-N 3.34Å; E1605-D1607 PolarHBondContact O-N 3.23Å; D1607-Q1611 WeakPolarHBondContact O-CG 3.35Å; D1607-Q1611 PolarHBondContact O-NE2 2.96Å; D1607-L1666 HydrophobicContact CB-CD1 4.46Å; D1607-L1666 WeakPolarHBondContact OD1-CD2 3.49Å; D1607-R1703 IonicContact OD2-CZ 3.33Å; D1607-R1703 IonicContact OD2-NH1 3.87Å; D1607-R1703 PolarHBondContact OD2-NH1 3.34Å; D1607-R1703 IonicContact OD2-NH2 3.75Å; D1607-Y1704 PolarHBondContact OD1-OH 2.9Å; D1607-R1707 IonicContact OD2-NH2 3.63Å |
| 1608 | R | 79.1 | Confident | 76.4 | Confident | 55 Ų | 55 | 29.5 Ų | 29.5 | 21% | 0.208 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -72.1 | -39.7 | 178.5 | -167.4 | -173.2 | 69.3 | 73.8 | 1.5 | 112.7 | N1570 S1604 E1605 I1606 W1612 | N1570-R1608 VanDerWaalsContact CG-NH2 3.29Å; N1570-R1608 PolarHBondContact ND2-NH2 2.91Å; N1570-R1608 VanDerWaalsContact ND2-NH2 3.15Å; N1570-R1608 PolarHBondContact OD1-NH2 3.49Å; S1604-R1608 PolarHBondContact O-N 3.18Å; E1605-R1608 VanDerWaalsContact CD-NH2 3.33Å; E1605-R1608 WeakPolarHBondContact O-CB 3.41Å; E1605-R1608 PolarHBondContact O-N 3.38Å; E1605-R1608 VanDerWaalsContact O-N 3.12Å; E1605-R1608 IonicContact OE1-CZ 2.75Å; E1605-R1608 IonicContact OE1-NE 2.8Å; E1605-R1608 IonicContact OE1-NH2 3.95Å; E1605-R1608 PolarHBondContact OE1-NH2 3.31Å; E1605-R1608 IonicContact OE2-CZ 2.79Å; E1605-R1608 IonicContact OE2-NE 2.67Å; E1605-R1608 PolarHBondContact OE2-NE 3.06Å; E1605-R1608 IonicContact OE2-NH2 2.67Å; E1605-R1608 PolarHBondContact OE2-NH2 3.28Å; I1606-R1608 PolarHBondContact O-N 3.16Å; R1608-W1612 PolarHBondContact O-NE1 3.46Å |
| 1609 | V | 76.8 | Confident | 76 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -87.4 | -41.2 | -170.4 | 169.4 | 0 | 0 | 0 | 0 | 112.8 | I1569 T1573 E1605 I1606 Q1611 W1612 A1613 F1617 | I1569-V1609 HydrophobicContact CG2-CB 4.45Å; I1569-V1609 HydrophobicContact CG2-CG2 4.21Å; T1573-V1609 HydrophobicContact CG2-CG1 3.17Å; E1605-V1609 HydrophobicContact CG-CG2 4.16Å; E1605-V1609 WeakPolarHBondContact O-CB 3.3Å; E1605-V1609 WeakPolarHBondContact O-CG2 3.39Å; E1605-V1609 PolarHBondContact O-N 3.39Å; I1606-V1609 PolarHBondContact O-N 3.32Å; V1609-Q1611 PolarHBondContact O-N 3.39Å; V1609-Q1611 VanDerWaalsContact O-N 3.11Å; V1609-W1612 HydrophobicContact CB-CZ2 4.49Å; V1609-W1612 HydrophobicContact CG1-CZ2 4.19Å; V1609-W1612 HydrophobicContact CG2-CZ2 4.17Å; V1609-W1612 PolarHBondContact O-N 2.97Å; V1609-W1612 VanDerWaalsContact O-N 3.11Å; V1609-A1613 HydrophobicContact CG1-CB 3.78Å; V1609-A1613 VanDerWaalsContact O-CB 3.31Å; V1609-A1613 WeakPolarHBondContact O-CB 3.23Å; V1609-A1613 PolarHBondContact O-N 2.88Å; V1609-F1617 HydrophobicContact CG1-CE1 3.94Å; V1609-F1617 HydrophobicContact CG1-CZ 4.2Å |
| 1610 | V | 76 | Confident | 76 | Confident | 11 Ų | 11 | 32.1 Ų | 32.1 | 7% | 0.067 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.3 | -27.5 | -176.9 | 170 | 0 | 0 | 0 | 0 | 112.4 | I1606 W1612 F1617 L1666 | I1606-V1610 HydrophobicContact CG2-CG2 3.73Å; I1606-V1610 VanDerWaalsContact O-CB 3.26Å; I1606-V1610 WeakPolarHBondContact O-CB 3.32Å; I1606-V1610 VanDerWaalsContact O-CG2 3.23Å; I1606-V1610 WeakPolarHBondContact O-CG2 3.38Å; I1606-V1610 PolarHBondContact O-N 3.45Å; V1610-W1612 PolarHBondContact O-N 3.13Å; V1610-W1612 VanDerWaalsContact O-N 3.17Å; V1610-F1617 HydrophobicContact CG2-CE1 4.18Å; V1610-L1666 HydrophobicContact CB-CB 4.45Å; V1610-L1666 HydrophobicContact CG1-CB 3.87Å |
| 1611 | Q | 66.2 | Low | 76.1 | Confident | 57 Ų | 57 | 28.2 Ų | 28.2 | 27% | 0.266 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -58.7 | -27.3 | 177.8 | -68.9 | 174.3 | 26.1 | 0 | 0 | 113.6 | D1607 V1609 | D1607-Q1611 WeakPolarHBondContact O-CG 3.35Å; D1607-Q1611 PolarHBondContact O-NE2 2.96Å; V1609-Q1611 PolarHBondContact O-N 3.39Å; V1609-Q1611 VanDerWaalsContact O-N 3.11Å |
| 1612 | W | 65.3 | Low | 75.9 | Confident | 69 Ų | 69 | 30.2 Ų | 30.2 | 26% | 0.261 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -130.6 | -16.8 | -176 | 59.9 | -93.5 | 0 | 0 | 0 | 114.9 | T1573 R1608 V1609 V1610 G1614 | T1573-W1612 HydrophobicContact CG2-CH2 3.62Å; T1573-W1612 HydrophobicContact CG2-CZ2 4.2Å; T1573-W1612 HydrophobicContact CG2-CZ3 4.12Å; R1608-W1612 PolarHBondContact O-NE1 3.46Å; V1609-W1612 HydrophobicContact CB-CZ2 4.49Å; V1609-W1612 HydrophobicContact CG1-CZ2 4.19Å; V1609-W1612 HydrophobicContact CG2-CZ2 4.17Å; V1609-W1612 PolarHBondContact O-N 2.97Å; V1609-W1612 VanDerWaalsContact O-N 3.11Å; V1610-W1612 PolarHBondContact O-N 3.13Å; V1610-W1612 VanDerWaalsContact O-N 3.17Å; W1612-G1614 PolarHBondContact O-N 2.79Å |
| 1613 | A | 66.9 | Low | 75.9 | Confident | 9 Ų | 9 | 33.6 Ų | 33.6 | 7% | 0.074 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -69.7 | -13.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | T1573 V1609 F1617 | T1573-A1613 HydrophobicContact CG2-CB 3.92Å; V1609-A1613 HydrophobicContact CG1-CB 3.78Å; V1609-A1613 VanDerWaalsContact O-CB 3.31Å; V1609-A1613 WeakPolarHBondContact O-CB 3.23Å; V1609-A1613 PolarHBondContact O-N 2.88Å; A1613-F1617 HydrophobicContact CB-CB 4.16Å; A1613-F1617 HydrophobicContact CB-CD1 3.57Å; A1613-F1617 HydrophobicContact CB-CE1 4.18Å; A1613-F1617 HydrophobicContact CB-CG 3.94Å |
| 1614 | G | 65.7 | Low | 76 | Confident | 38 Ų | 38 | 35.3 Ų | 35.3 | 39% | 0.392 | 19% | 0.194 | S | C | . | . | trans | 86.3 | 165.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | W1612 D1616 S1618 | W1612-G1614 PolarHBondContact O-N 2.79Å; G1614-D1616 PolarHBondContact O-N 2.98Å; G1614-S1618 PolarHBondContact O-OG 3.35Å | ||
| 1615 | T | 69.4 | Low | 76 | Confident | 70 Ų | 70 | 33.1 Ų | 33.1 | 43% | 0.429 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -67.7 | -33.9 | -171.7 | 49.6 | 0 | 0 | 0 | 0 | 113.7 | F1617 S1618 A1619 L1667 | T1615-F1617 PolarHBondContact O-N 3.19Å; T1615-S1618 PolarHBondContact O-N 3.34Å; T1615-S1618 PolarHBondContact O-OG 2.98Å; T1615-A1619 WeakPolarHBondContact O-CB 3.17Å; T1615-A1619 PolarHBondContact O-N 3.14Å; T1615-L1667 HydrophobicContact CG2-CD2 4.05Å |
| 1616 | D | 69.3 | Low | 75.9 | Confident | 98 Ų | 98 | 36.1 Ų | 36.1 | 52% | 0.524 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -64.9 | -41.1 | -176.7 | -55.4 | -20.8 | 0 | 0 | 0 | 111.5 | G1614 A1619 D1620 | G1614-D1616 PolarHBondContact O-N 2.98Å; D1616-A1619 PolarHBondContact O-N 2.84Å; D1616-D1620 WeakPolarHBondContact O-CB 3.24Å; D1616-D1620 VanDerWaalsContact O-CG 3.24Å; D1616-D1620 PolarHBondContact O-N 3.34Å |
| 1617 | F | 80.5 | Confident | 75.8 | Confident | 3 Ų | 3 | 40.1 Ų | 40.1 | 1% | 0.013 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.4 | -53.6 | 176.7 | 161.4 | -105 | 0 | 0 | 0 | 111.3 | A1572 I1606 V1609 V1610 A1613 T1615 A1619 D1620 I1621 | A1572-F1617 HydrophobicContact CB-CE2 3.82Å; A1572-F1617 WeakPolarHBondContact O-CD2 3.43Å; A1572-F1617 WeakPolarHBondContact O-CE2 3.49Å; I1606-F1617 HydrophobicContact CD1-CE1 4.39Å; I1606-F1617 HydrophobicContact CD1-CZ 4.29Å; V1609-F1617 HydrophobicContact CG1-CE1 3.94Å; V1609-F1617 HydrophobicContact CG1-CZ 4.2Å; V1610-F1617 HydrophobicContact CG2-CE1 4.18Å; A1613-F1617 HydrophobicContact CB-CB 4.16Å; A1613-F1617 HydrophobicContact CB-CD1 3.57Å; A1613-F1617 HydrophobicContact CB-CE1 4.18Å; A1613-F1617 HydrophobicContact CB-CG 3.94Å; T1615-F1617 PolarHBondContact O-N 3.19Å; F1617-A1619 PolarHBondContact O-N 3.47Å; F1617-D1620 PolarHBondContact O-N 3.17Å; F1617-I1621 HydrophobicContact CD2-CG1 3.91Å; F1617-I1621 HydrophobicContact CE2-CD1 4.1Å; F1617-I1621 HydrophobicContact CE2-CG1 3.54Å; F1617-I1621 HydrophobicContact CZ-CG1 3.96Å; F1617-I1621 WeakPolarHBondContact O-CG1 3.49Å; F1617-I1621 PolarHBondContact O-N 3.01Å |
| 1618 | S | 75.1 | Confident | 75.5 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.007 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.9 | -38 | -178.1 | 35.4 | 0 | 0 | 0 | 0 | 112.9 | G1614 T1615 R1622 I1663 L1667 | G1614-S1618 PolarHBondContact O-OG 3.35Å; T1615-S1618 PolarHBondContact O-N 3.34Å; T1615-S1618 PolarHBondContact O-OG 2.98Å; S1618-R1622 VanDerWaalsContact O-CB 3.24Å; S1618-R1622 WeakPolarHBondContact O-CB 3.45Å; S1618-R1622 PolarHBondContact O-N 3.45Å; S1618-I1663 WeakPolarHBondContact O-CG2 3.04Å; S1618-L1667 WeakPolarHBondContact OG-CD2 3.36Å; S1618-L1667 WeakPolarHBondContact OG-CG 3.47Å |
| 1619 | A | 75.8 | Confident | 74.9 | Confident | 35 Ų | 35 | 41.6 Ų | 41.6 | 29% | 0.289 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -65.4 | -43.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | T1615 D1616 F1617 R1622 N1623 | T1615-A1619 WeakPolarHBondContact O-CB 3.17Å; T1615-A1619 PolarHBondContact O-N 3.14Å; D1616-A1619 PolarHBondContact O-N 2.84Å; F1617-A1619 PolarHBondContact O-N 3.47Å; A1619-R1622 PolarHBondContact O-N 3.25Å; A1619-N1623 WeakPolarHBondContact O-CB 3.43Å; A1619-N1623 PolarHBondContact O-N 3.26Å; A1619-N1623 PolarHBondContact O-ND2 3.36Å |
| 1620 | D | 80.3 | Confident | 74.5 | Confident | 63 Ų | 63 | 44.6 Ų | 44.6 | 34% | 0.337 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -67.7 | -45.2 | 179.8 | -72.9 | -5.2 | 0 | 0 | 0 | 111.9 | R1580 D1616 F1617 R1622 N1623 L1624 | R1580-D1620 IonicContact CZ-OD2 2.94Å; R1580-D1620 IonicContact NH1-OD2 2.68Å; R1580-D1620 PolarHBondContact NH1-OD2 3.11Å; D1616-D1620 WeakPolarHBondContact O-CB 3.24Å; D1616-D1620 VanDerWaalsContact O-CG 3.24Å; D1616-D1620 PolarHBondContact O-N 3.34Å; F1617-D1620 PolarHBondContact O-N 3.17Å; D1620-R1622 VanDerWaalsContact C-N 3.3Å; D1620-R1622 PolarHBondContact O-N 3.31Å; D1620-N1623 PolarHBondContact O-N 2.84Å; D1620-L1624 WeakPolarHBondContact O-CB 3.22Å; D1620-L1624 VanDerWaalsContact O-CG 3.24Å; D1620-L1624 WeakPolarHBondContact O-CG 3.43Å; D1620-L1624 PolarHBondContact O-N 3Å |
| 1621 | I | 83.3 | Confident | 74 | Confident | 3 Ų | 3 | 50.3 Ų | 50.3 | 2% | 0.015 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.4 | -41.8 | 176 | -68.8 | -66.7 | 0 | 0 | 0 | 111 | A1572 R1580 V1584 F1617 L1625 I1663 | A1572-I1621 HydrophobicContact CB-CD1 4.49Å; R1580-I1621 HydrophobicContact CB-CD1 4.01Å; R1580-I1621 HydrophobicContact CG-CD1 4.24Å; V1584-I1621 HydrophobicContact CG2-CD1 4.19Å; F1617-I1621 HydrophobicContact CD2-CG1 3.91Å; F1617-I1621 HydrophobicContact CE2-CD1 4.1Å; F1617-I1621 HydrophobicContact CE2-CG1 3.54Å; F1617-I1621 HydrophobicContact CZ-CG1 3.96Å; F1617-I1621 WeakPolarHBondContact O-CG1 3.49Å; F1617-I1621 PolarHBondContact O-N 3.01Å; I1621-L1625 HydrophobicContact CG2-CD1 3.8Å; I1621-L1625 HydrophobicContact CG2-CG 4.4Å; I1621-L1625 WeakPolarHBondContact O-CB 3.33Å; I1621-L1625 VanDerWaalsContact O-CG 3.26Å; I1621-L1625 WeakPolarHBondContact O-CG 3.35Å; I1621-L1625 PolarHBondContact O-N 2.8Å; I1621-I1663 HydrophobicContact CG2-CD1 3.97Å |
| 1622 | R | 79.8 | Confident | 73.7 | Confident | 62 Ų | 62 | 53.8 Ų | 53.8 | 23% | 0.234 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.2 | -49.2 | 175.6 | -179.6 | -168.5 | -174.4 | -76.5 | -2.8 | 111.7 | S1618 A1619 D1620 L1625 Q1626 I1663 D1664 | S1618-R1622 VanDerWaalsContact O-CB 3.24Å; S1618-R1622 WeakPolarHBondContact O-CB 3.45Å; S1618-R1622 PolarHBondContact O-N 3.45Å; A1619-R1622 PolarHBondContact O-N 3.25Å; D1620-R1622 VanDerWaalsContact C-N 3.3Å; D1620-R1622 PolarHBondContact O-N 3.31Å; R1622-L1625 PolarHBondContact O-N 2.97Å; R1622-Q1626 VanDerWaalsContact CZ-NE2 3.31Å; R1622-Q1626 WeakPolarHBondContact O-CG 3.33Å; R1622-Q1626 PolarHBondContact O-N 3.18Å; R1622-Q1626 VanDerWaalsContact O-N 3.09Å; R1622-I1663 HydrophobicContact CB-CG2 4.23Å; R1622-D1664 VanDerWaalsContact CD-OD1 3.26Å; R1622-D1664 WeakPolarHBondContact CD-OD1 3.44Å; R1622-D1664 IonicContact CZ-OD1 2.74Å; R1622-D1664 IonicContact CZ-OD2 2.8Å; R1622-D1664 VanDerWaalsContact NE-CG 3.29Å; R1622-D1664 IonicContact NE-OD1 2.98Å; R1622-D1664 PolarHBondContact NE-OD1 3.35Å; R1622-D1664 IonicContact NE-OD2 3.09Å; R1622-D1664 PolarHBondContact NE-OD2 3.39Å; R1622-D1664 VanDerWaalsContact NE-OD2 3.1Å; R1622-D1664 IonicContact NH2-OD1 2.81Å; R1622-D1664 IonicContact NH2-OD2 3.07Å; R1622-D1664 PolarHBondContact NH2-OD2 3.2Å |
| 1623 | N | 83 | Confident | 73 | Confident | 71 Ų | 71 | 58.9 Ų | 58.9 | 38% | 0.38 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.5 | -43.6 | -178.9 | -66.8 | -20.9 | 0 | 0 | 0 | 111 | A1619 D1620 L1625 Q1626 D1627 | A1619-N1623 WeakPolarHBondContact O-CB 3.43Å; A1619-N1623 PolarHBondContact O-N 3.26Å; A1619-N1623 PolarHBondContact O-ND2 3.36Å; D1620-N1623 PolarHBondContact O-N 2.84Å; N1623-L1625 PolarHBondContact O-N 3.28Å; N1623-Q1626 PolarHBondContact O-N 2.66Å; N1623-D1627 WeakPolarHBondContact O-CB 3.26Å; N1623-D1627 VanDerWaalsContact O-CG 3.28Å; N1623-D1627 PolarHBondContact O-N 3.4Å |
| 1624 | L | 82.8 | Confident | 71.9 | Confident | 37 Ų | 37 | 65 Ų | 65 | 19% | 0.194 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.4 | -42.1 | 177.1 | -72.2 | 170.4 | 0 | 0 | 0 | 112.3 | R1580 E1581 V1584 D1620 Q1626 D1627 E1628 | R1580-L1624 HydrophobicContact CB-CD1 3.7Å; E1581-L1624 HydrophobicContact CG-CD2 4.16Å; V1584-L1624 HydrophobicContact CG2-CB 3.87Å; D1620-L1624 WeakPolarHBondContact O-CB 3.22Å; D1620-L1624 VanDerWaalsContact O-CG 3.24Å; D1620-L1624 WeakPolarHBondContact O-CG 3.43Å; D1620-L1624 PolarHBondContact O-N 3Å; L1624-Q1626 VanDerWaalsContact C-N 3.32Å; L1624-Q1626 PolarHBondContact O-N 3.45Å; L1624-D1627 PolarHBondContact O-N 2.9Å; L1624-E1628 WeakPolarHBondContact O-CB 3.48Å; L1624-E1628 PolarHBondContact O-N 3.46Å |
| 1625 | L | 79.9 | Confident | 70.9 | Confident | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.6 | -39.4 | 174.7 | -77.6 | 167.3 | 0 | 0 | 0 | 112 | V1584 F1602 I1621 R1622 N1623 F1629 I1663 | V1584-L1625 HydrophobicContact CG1-CD2 3.89Å; V1584-L1625 HydrophobicContact CG1-CG 4.34Å; V1584-L1625 HydrophobicContact CG2-CD2 4.27Å; V1584-L1625 HydrophobicContact CG2-CG 4.11Å; F1602-L1625 HydrophobicContact CZ-CD1 4.43Å; I1621-L1625 HydrophobicContact CG2-CD1 3.8Å; I1621-L1625 HydrophobicContact CG2-CG 4.4Å; I1621-L1625 WeakPolarHBondContact O-CB 3.33Å; I1621-L1625 VanDerWaalsContact O-CG 3.26Å; I1621-L1625 WeakPolarHBondContact O-CG 3.35Å; I1621-L1625 PolarHBondContact O-N 2.8Å; R1622-L1625 PolarHBondContact O-N 2.97Å; N1623-L1625 PolarHBondContact O-N 3.28Å; L1625-F1629 WeakPolarHBondContact O-CB 3.23Å; L1625-F1629 PolarHBondContact O-N 2.95Å; L1625-I1663 HydrophobicContact CD1-CD1 4.09Å |
| 1626 | Q | 79.1 | Confident | 69.3 | Low | 73 Ų | 73 | 72.9 Ų | 72.9 | 34% | 0.341 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -72 | -42.4 | 177.8 | -72.3 | 178.5 | -0.5 | 0 | 0 | 112.2 | R1622 N1623 L1624 F1629 S1630 | R1622-Q1626 VanDerWaalsContact CZ-NE2 3.31Å; R1622-Q1626 WeakPolarHBondContact O-CG 3.33Å; R1622-Q1626 PolarHBondContact O-N 3.18Å; R1622-Q1626 VanDerWaalsContact O-N 3.09Å; N1623-Q1626 PolarHBondContact O-N 2.66Å; L1624-Q1626 VanDerWaalsContact C-N 3.32Å; L1624-Q1626 PolarHBondContact O-N 3.45Å; Q1626-F1629 PolarHBondContact O-N 2.97Å; Q1626-S1630 PolarHBondContact O-N 3.02Å |
| 1627 | D | 79.2 | Confident | 67.7 | Low | 87 Ų | 87 | 75.4 Ų | 75.4 | 47% | 0.465 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -67.7 | -48.2 | -178.5 | -75.6 | -9.1 | 0 | 0 | 0 | 111.6 | N1623 L1624 F1629 S1630 K1631 | N1623-D1627 WeakPolarHBondContact O-CB 3.26Å; N1623-D1627 VanDerWaalsContact O-CG 3.28Å; N1623-D1627 PolarHBondContact O-N 3.4Å; L1624-D1627 PolarHBondContact O-N 2.9Å; D1627-F1629 PolarHBondContact O-N 3.3Å; D1627-S1630 WeakPolarHBondContact O-CB 3.39Å; D1627-S1630 PolarHBondContact O-N 2.85Å; D1627-S1630 VanDerWaalsContact O-N 3.08Å; D1627-S1630 PolarHBondContact O-OG 3.38Å; D1627-K1631 WeakPolarHBondContact O-CG 3.27Å; D1627-K1631 PolarHBondContact O-N 2.92Å |
| 1628 | E | 72 | Confident | 65.9 | Low | 45 Ų | 45 | 80.6 Ų | 80.6 | 21% | 0.21 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -62.9 | -33.6 | 177.3 | -79.2 | -56.8 | 131.4 | 0 | 0 | 112.2 | V1584 L1588 L1624 K1631 K1632 | V1584-E1628 HydrophobicContact CG1-CB 4.44Å; V1584-E1628 HydrophobicContact CG1-CG 4.29Å; L1588-E1628 HydrophobicContact CD1-CB 3.94Å; L1624-E1628 WeakPolarHBondContact O-CB 3.48Å; L1624-E1628 PolarHBondContact O-N 3.46Å; E1628-K1631 PolarHBondContact O-N 3.49Å; E1628-K1631 IonicContact OE1-NZ 3.65Å; E1628-K1631 PolarHBondContact OE1-NZ 2.9Å; E1628-K1632 PolarHBondContact O-N 3.48Å; E1628-K1632 VanDerWaalsContact O-N 3.16Å |
| 1629 | F | 66.5 | Low | 64.4 | Low | 41 Ų | 41 | 86.5 Ų | 86.5 | 18% | 0.18 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -66 | -42.3 | 172.4 | -173.4 | -93.6 | 0 | 0 | 0 | 112 | L1625 Q1626 D1627 K1631 K1632 R1633 Q1653 I1656 | L1625-F1629 WeakPolarHBondContact O-CB 3.23Å; L1625-F1629 PolarHBondContact O-N 2.95Å; Q1626-F1629 PolarHBondContact O-N 2.97Å; D1627-F1629 PolarHBondContact O-N 3.3Å; F1629-K1631 VanDerWaalsContact C-N 3.31Å; F1629-K1631 PolarHBondContact O-N 3.42Å; F1629-K1632 PolarHBondContact O-N 3.22Å; F1629-R1633 PolarHBondContact O-N 2.85Å; F1629-Q1653 HydrophobicContact CE2-CG 3.54Å; F1629-Q1653 HydrophobicContact CZ-CG 3.39Å; F1629-I1656 HydrophobicContact CD2-CD1 3.9Å; F1629-I1656 HydrophobicContact CE2-CD1 4.48Å |
| 1630 | S | 68.4 | Low | 62.5 | Low | 63 Ų | 63 | 96.4 Ų | 96.4 | 44% | 0.441 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.2 | -35.9 | 177.2 | 78.6 | 0 | 0 | 0 | 0 | 112.7 | Q1626 D1627 R1633 | Q1626-S1630 PolarHBondContact O-N 3.02Å; D1627-S1630 WeakPolarHBondContact O-CB 3.39Å; D1627-S1630 PolarHBondContact O-N 2.85Å; D1627-S1630 VanDerWaalsContact O-N 3.08Å; D1627-S1630 PolarHBondContact O-OG 3.38Å; S1630-R1633 WeakPolarHBondContact O-CB 3.39Å; S1630-R1633 PolarHBondContact O-N 3.33Å |
| 1631 | K | 64.8 | Low | 60.5 | Low | 130 Ų | 130 | 105.4 Ų | 105.4 | 57% | 0.565 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67.7 | -44.3 | 176.4 | -69.5 | 177.1 | -166.9 | 165.4 | 0 | 112.2 | D1627 E1628 F1629 R1633 N1634 | D1627-K1631 WeakPolarHBondContact O-CG 3.27Å; D1627-K1631 PolarHBondContact O-N 2.92Å; E1628-K1631 PolarHBondContact O-N 3.49Å; E1628-K1631 IonicContact OE1-NZ 3.65Å; E1628-K1631 PolarHBondContact OE1-NZ 2.9Å; F1629-K1631 VanDerWaalsContact C-N 3.31Å; F1629-K1631 PolarHBondContact O-N 3.42Å; K1631-R1633 PolarHBondContact O-N 3.12Å; K1631-N1634 PolarHBondContact O-N 3.17Å; K1631-N1634 VanDerWaalsContact O-N 3.15Å |
| 1632 | K | 60.9 | Low | 58.6 | Low | 130 Ų | 130 | 110 Ų | 110 | 57% | 0.565 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.5 | -21.3 | 178 | -78.3 | -175.8 | 179.2 | 177 | 0 | 113.4 | E1628 F1629 N1634 | E1628-K1632 PolarHBondContact O-N 3.48Å; E1628-K1632 VanDerWaalsContact O-N 3.16Å; F1629-K1632 PolarHBondContact O-N 3.22Å; K1632-N1634 PolarHBondContact O-N 3.48Å |
| 1633 | R | 50.8 | Low | 56.7 | Low | 176 Ų | 176 | 117 Ų | 117 | 66% | 0.664 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | -15.8 | 174.4 | -118.6 | -178.9 | -175.2 | 177.8 | 1.4 | 114.7 | F1629 S1630 K1631 P1635 | F1629-R1633 PolarHBondContact O-N 2.85Å; S1630-R1633 WeakPolarHBondContact O-CB 3.39Å; S1630-R1633 PolarHBondContact O-N 3.33Å; K1631-R1633 PolarHBondContact O-N 3.12Å; R1633-P1635 WeakPolarHBondContact O-CD 3.41Å |
| 1634 | N | 43.5 | Very low | 54.8 | Low | 137 Ų | 137 | 117.1 Ų | 117.1 | 73% | 0.733 | 60% | 0.597 | S | S | * | * | trans | -109.3 | 67.7 | -178.9 | -83.1 | -20 | 0 | 0 | 0 | 113.5 | K1631 K1632 L1636 | K1631-N1634 PolarHBondContact O-N 3.17Å; K1631-N1634 VanDerWaalsContact O-N 3.15Å; K1632-N1634 PolarHBondContact O-N 3.48Å; N1634-L1636 PolarHBondContact O-N 2.85Å; N1634-L1636 VanDerWaalsContact O-N 3.12Å | ||
| 1635 | P | 44.4 | Very low | 53.2 | Low | 101 Ų | 101 | 120.7 Ų | 120.7 | 66% | 0.656 | 62% | 0.621 | S | S | * | * | trans | -80.9 | 88.9 | 167 | 32.6 | -29.1 | 0 | 0 | 0 | 109.4 | R1633 L1637 | R1633-P1635 WeakPolarHBondContact O-CD 3.41Å; P1635-L1637 PolarHBondContact O-N 3.2Å | ||
| 1636 | L | 36.5 | Very low | 51.8 | Low | 174 Ų | 174 | 128.5 Ų | 128.5 | 91% | 0.911 | 66% | 0.657 | S | S | * | * | trans | -71.7 | 69 | 161.6 | -78.9 | 169.9 | 0 | 0 | 0 | 109.7 | N1634 | N1634-L1636 PolarHBondContact O-N 2.85Å; N1634-L1636 VanDerWaalsContact O-N 3.12Å | ||
| 1637 | L | 35.6 | Very low | 50.5 | Low | 151 Ų | 151 | 131.5 Ų | 131.5 | 79% | 0.791 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -150.5 | 132.1 | 166.2 | -92.2 | 147.1 | 0 | 0 | 0 | 108.8 | P1635 | P1635-L1637 PolarHBondContact O-N 3.2Š|
| 1638 | P | 42 | Very low | 49.2 | Very low | 111 Ų | 111 | 133.4 Ų | 133.4 | 72% | 0.721 | 68% | 0.68 | S | S | * | * | trans | -71.5 | 151.5 | -166.4 | 27.9 | -33 | 0 | 0 | 0 | 113.1 | R1640 | P1638-R1640 PolarHBondContact O-N 2.86Å; P1638-R1640 VanDerWaalsContact O-N 3.15Å | ||
| 1639 | P | 42.9 | Very low | 48.8 | Very low | 125 Ų | 125 | 135.1 Ų | 135.1 | 81% | 0.812 | 69% | 0.691 | S | S | * | * | trans | -70.8 | 111 | -162.5 | 28 | -33.8 | 0 | 0 | 0 | 111.5 | R1641 | P1639-R1641 PolarHBondContact O-N 2.67Š| ||
| 1640 | R | 36.6 | Very low | 49 | Very low | 244 Ų | 244 | 139.1 Ų | 139.1 | 92% | 0.921 | 71% | 0.71 | S | S | * | * | trans | -73.2 | 113.7 | 162.3 | -87.9 | -173.8 | 173.6 | -175.1 | -0.7 | 108.5 | P1638 S1642 | P1638-R1640 PolarHBondContact O-N 2.86Å; P1638-R1640 VanDerWaalsContact O-N 3.15Å; R1640-S1642 PolarHBondContact O-N 3.1Å | ||
| 1641 | R | 38.5 | Very low | 49 | Very low | 252 Ų | 252 | 143.3 Ų | 143.3 | 95% | 0.951 | 72% | 0.72 | S | S | * | * | trans | -59.2 | 110 | 176 | -65.9 | 175.2 | 177.8 | 176.2 | -2.1 | 110.8 | P1639 | P1639-R1641 PolarHBondContact O-N 2.67Š| ||
| 1642 | S | 42.5 | Very low | 49.1 | Very low | 99 Ų | 99 | 139 Ų | 139 | 69% | 0.692 | 70% | 0.702 | S | S | * | * | trans | -157.9 | 115 | 151.8 | 50.4 | 0 | 0 | 0 | 0 | 108.6 | R1640 | R1640-S1642 PolarHBondContact O-N 3.1Š| ||
| 1643 | H | 40.1 | Very low | 49.5 | Very low | 208 Ų | 208 | 134.8 Ų | 134.8 | 96% | 0.963 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -58.6 | 132.7 | -177.2 | -76.5 | -81.3 | 0 | 0 | 0 | 112.9 | ||
| 1644 | G | 44 | Very low | 50.8 | Low | 74 Ų | 74 | 134.1 Ų | 134.1 | 76% | 0.763 | 68% | 0.682 | S | S | * | * | trans | 144.2 | -2.5 | 160.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1645 | T | 48 | Very low | 52.3 | Low | 113 Ų | 113 | 128.2 Ų | 128.2 | 69% | 0.693 | 65% | 0.65 | S | S | * | * | trans | -102.6 | -5.7 | -166.7 | 43.8 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1646 | E | 50.7 | Low | 53.7 | Low | 164 Ų | 164 | 123.8 Ų | 123.8 | 77% | 0.766 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -70.7 | -33.8 | -174.7 | -67.1 | -174.2 | 168.4 | 0 | 0 | 113.8 | F1648 | E1646-F1648 VanDerWaalsContact C-N 3.3Å; E1646-F1648 PolarHBondContact O-N 2.93Å |
| 1647 | D | 52.2 | Low | 55.7 | Low | 136 Ų | 136 | 119.8 Ų | 119.8 | 73% | 0.727 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -70.5 | -23.9 | -179 | -80.5 | -20.4 | 0 | 0 | 0 | 113.9 | ||
| 1648 | F | 51.9 | Low | 57.7 | Low | 128 Ų | 128 | 113.6 Ų | 113.6 | 56% | 0.561 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -75.9 | -35.6 | -177.4 | -130.4 | -90.8 | 0 | 0 | 0 | 111.7 | E1646 K1651 Q1652 | E1646-F1648 VanDerWaalsContact C-N 3.3Å; E1646-F1648 PolarHBondContact O-N 2.93Å; F1648-K1651 PolarHBondContact O-N 3.4Å; F1648-Q1652 WeakPolarHBondContact O-CG 3.43Å; F1648-Q1652 PolarHBondContact O-N 3.26Å |
| 1649 | D | 64.3 | Low | 59.5 | Low | 80 Ų | 80 | 108.4 Ų | 108.4 | 43% | 0.428 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -69.3 | -40.2 | -177.2 | -154.8 | -13.3 | 0 | 0 | 0 | 111.1 | K1651 Q1652 Q1653 | D1649-K1651 PolarHBondContact O-N 3.29Å; D1649-Q1652 PolarHBondContact O-N 3.1Å; D1649-Q1653 WeakPolarHBondContact O-CB 3.46Å; D1649-Q1653 WeakPolarHBondContact O-CG 3.23Å; D1649-Q1653 PolarHBondContact O-N 2.88Å; D1649-Q1653 PolarHBondContact OD1-NE2 3.31Å |
| 1650 | H | 69.8 | Low | 61 | Low | 125 Ų | 125 | 102.8 Ų | 102.8 | 58% | 0.579 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.5 | -37.3 | 177 | -74.1 | -51.6 | 0 | 0 | 0 | 114 | R1654 | H1650-R1654 PolarHBondContact O-N 3.15Å; H1650-R1654 VanDerWaalsContact O-N 3.09Å |
| 1651 | K | 68 | Low | 62.9 | Low | 152 Ų | 152 | 96.7 Ų | 96.7 | 66% | 0.661 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -67.9 | -43.6 | 176.3 | -74.5 | -177.6 | -178.7 | 175.3 | 0 | 111.4 | F1648 D1649 Q1653 R1654 V1655 | F1648-K1651 PolarHBondContact O-N 3.4Å; D1649-K1651 PolarHBondContact O-N 3.29Å; K1651-Q1653 VanDerWaalsContact C-N 3.34Å; K1651-Q1653 PolarHBondContact O-N 3.35Å; K1651-R1654 PolarHBondContact O-N 2.8Å; K1651-V1655 WeakPolarHBondContact O-CG2 3.47Å; K1651-V1655 PolarHBondContact O-N 3.16Å; K1651-V1655 VanDerWaalsContact O-N 3.14Å |
| 1652 | Q | 67.3 | Low | 64.7 | Low | 40 Ų | 40 | 84.8 Ų | 84.8 | 19% | 0.187 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -62.5 | -42.1 | 176.5 | -70.8 | 178.2 | -13 | 0 | 0 | 111.5 | L1591 F1648 D1649 R1654 V1655 I1656 | L1591-Q1652 PolarHBondContact O-NE2 2.98Å; F1648-Q1652 WeakPolarHBondContact O-CG 3.43Å; F1648-Q1652 PolarHBondContact O-N 3.26Å; D1649-Q1652 PolarHBondContact O-N 3.1Å; Q1652-R1654 VanDerWaalsContact C-N 3.34Å; Q1652-R1654 PolarHBondContact O-N 2.86Å; Q1652-V1655 PolarHBondContact O-N 3.3Å; Q1652-I1656 WeakPolarHBondContact O-CG1 3.38Å; Q1652-I1656 PolarHBondContact O-N 3Å |
| 1653 | Q | 70.4 | Confident | 66.3 | Low | 41 Ų | 41 | 80.1 Ų | 80.1 | 19% | 0.192 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -58 | -43.8 | 175 | -77.6 | 173.6 | 20.6 | 0 | 0 | 113.1 | F1629 D1649 K1651 N1657 | F1629-Q1653 HydrophobicContact CE2-CG 3.54Å; F1629-Q1653 HydrophobicContact CZ-CG 3.39Å; D1649-Q1653 WeakPolarHBondContact O-CB 3.46Å; D1649-Q1653 WeakPolarHBondContact O-CG 3.23Å; D1649-Q1653 PolarHBondContact O-N 2.88Å; D1649-Q1653 PolarHBondContact OD1-NE2 3.31Å; K1651-Q1653 VanDerWaalsContact C-N 3.34Å; K1651-Q1653 PolarHBondContact O-N 3.35Å; Q1653-N1657 WeakPolarHBondContact O-CB 2.98Å; Q1653-N1657 VanDerWaalsContact O-CG 3.29Å; Q1653-N1657 PolarHBondContact O-N 3.14Å; Q1653-N1657 VanDerWaalsContact O-N 3.1Å; Q1653-N1657 PolarHBondContact O-ND2 3.09Å |
| 1654 | R | 77.1 | Confident | 67.7 | Low | 162 Ų | 162 | 72.2 Ų | 72.2 | 61% | 0.611 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -60.9 | -49.9 | 176.7 | -177.1 | -179.9 | 174.3 | -178.7 | 0.2 | 111 | H1650 K1651 Q1652 I1656 N1657 D1658 | H1650-R1654 PolarHBondContact O-N 3.15Å; H1650-R1654 VanDerWaalsContact O-N 3.09Å; K1651-R1654 PolarHBondContact O-N 2.8Å; Q1652-R1654 VanDerWaalsContact C-N 3.34Å; Q1652-R1654 PolarHBondContact O-N 2.86Å; R1654-I1656 PolarHBondContact O-N 2.73Å; R1654-N1657 PolarHBondContact O-N 3.42Å; R1654-D1658 IonicContact NE-OD2 3.89Å; R1654-D1658 WeakPolarHBondContact O-CB 3.39Å; R1654-D1658 PolarHBondContact O-N 3.13Å |
| 1655 | V | 75.9 | Confident | 69 | Low | 12 Ų | 12 | 70.5 Ų | 70.5 | 7% | 0.073 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.2 | -42.3 | -178.3 | 175.3 | 0 | 0 | 0 | 0 | 111.8 | L1591 E1599 K1651 Q1652 D1658 F1659 | L1591-V1655 HydrophobicContact CD2-CG1 3.94Å; E1599-V1655 HydrophobicContact CG-CG1 4.42Å; K1651-V1655 WeakPolarHBondContact O-CG2 3.47Å; K1651-V1655 PolarHBondContact O-N 3.16Å; K1651-V1655 VanDerWaalsContact O-N 3.14Å; Q1652-V1655 PolarHBondContact O-N 3.3Å; V1655-D1658 PolarHBondContact O-N 2.98Å; V1655-F1659 HydrophobicContact CG1-CD1 4.26Å; V1655-F1659 HydrophobicContact CG1-CD2 4.13Å; V1655-F1659 HydrophobicContact CG1-CE1 3.7Å; V1655-F1659 HydrophobicContact CG1-CE2 3.55Å; V1655-F1659 HydrophobicContact CG1-CG 4.46Å; V1655-F1659 HydrophobicContact CG1-CZ 3.31Å; V1655-F1659 WeakPolarHBondContact O-CD1 3.19Å; V1655-F1659 VanDerWaalsContact O-CG 3.23Å; V1655-F1659 WeakPolarHBondContact O-CG 3.35Å; V1655-F1659 PolarHBondContact O-N 3.45Å |
| 1656 | I | 73.9 | Confident | 70.2 | Confident | 9 Ų | 9 | 65.2 Ų | 65.2 | 5% | 0.046 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.3 | -39.3 | 178.7 | -65.6 | 167.2 | 0 | 0 | 0 | 111.8 | L1588 L1591 F1629 Q1652 R1654 D1658 F1659 S1660 | L1588-I1656 HydrophobicContact CD2-CD1 3.93Å; L1591-I1656 HydrophobicContact CD1-CD1 4.46Å; L1591-I1656 HydrophobicContact CD1-CG1 4.1Å; F1629-I1656 HydrophobicContact CD2-CD1 3.9Å; F1629-I1656 HydrophobicContact CE2-CD1 4.48Å; Q1652-I1656 WeakPolarHBondContact O-CG1 3.38Å; Q1652-I1656 PolarHBondContact O-N 3Å; R1654-I1656 PolarHBondContact O-N 2.73Å; I1656-D1658 VanDerWaalsContact C-N 3.32Å; I1656-F1659 PolarHBondContact O-N 2.92Å; I1656-S1660 PolarHBondContact O-N 3.18Å; I1656-S1660 PolarHBondContact O-OG 3.41Å |
| 1657 | N | 78.8 | Confident | 70.9 | Confident | 90 Ų | 90 | 58.6 Ų | 58.6 | 48% | 0.481 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.9 | -39.2 | 174.6 | -75.4 | -28.6 | 0 | 0 | 0 | 111.5 | Q1653 R1654 S1660 K1661 | Q1653-N1657 WeakPolarHBondContact O-CB 2.98Å; Q1653-N1657 VanDerWaalsContact O-CG 3.29Å; Q1653-N1657 PolarHBondContact O-N 3.14Å; Q1653-N1657 VanDerWaalsContact O-N 3.1Å; Q1653-N1657 PolarHBondContact O-ND2 3.09Å; R1654-N1657 PolarHBondContact O-N 3.42Å; N1657-S1660 PolarHBondContact O-N 3.31Å; N1657-K1661 WeakPolarHBondContact O-CG 3.45Å; N1657-K1661 PolarHBondContact O-N 3.04Å |
| 1658 | D | 76.7 | Confident | 71.5 | Confident | 21 Ų | 21 | 54 Ų | 54 | 11% | 0.112 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.5 | -40.7 | 176.9 | -67.7 | -18 | 0 | 0 | 0 | 110.7 | R1654 V1655 I1656 K1661 Q1662 F1691 I1695 | R1654-D1658 IonicContact NE-OD2 3.89Å; R1654-D1658 WeakPolarHBondContact O-CB 3.39Å; R1654-D1658 PolarHBondContact O-N 3.13Å; V1655-D1658 PolarHBondContact O-N 2.98Å; I1656-D1658 VanDerWaalsContact C-N 3.32Å; D1658-K1661 PolarHBondContact O-N 3.42Å; D1658-Q1662 WeakPolarHBondContact O-CB 3.31Å; D1658-Q1662 PolarHBondContact O-N 3.18Å; D1658-F1691 WeakPolarHBondContact O-CZ 3.37Å; D1658-I1695 HydrophobicContact CB-CG2 4.09Å |
| 1659 | F | 79.7 | Confident | 72.2 | Confident | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.009 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.9 | -44 | 171.6 | -69.4 | -11.3 | 0 | 0 | 0 | 112.9 | L1591 E1599 F1602 V1603 V1655 I1656 K1661 Q1662 I1663 | L1591-F1659 HydrophobicContact CD1-CE2 4.44Å; L1591-F1659 HydrophobicContact CD2-CE2 4.47Å; E1599-F1659 HydrophobicContact CB-CE1 4.41Å; E1599-F1659 HydrophobicContact CB-CZ 4.36Å; E1599-F1659 HydrophobicContact CG-CE1 3.92Å; E1599-F1659 HydrophobicContact CG-CZ 4.35Å; F1602-F1659 HydrophobicContact CB-CE1 4.32Å; F1602-F1659 HydrophobicContact CB-CE2 4.35Å; F1602-F1659 HydrophobicContact CB-CZ 3.92Å; F1602-F1659 HydrophobicContact CD1-CB 4.37Å; F1602-F1659 AromaticContact CD1-CD1 3.48Å; F1602-F1659 HydrophobicContact CD1-CD1 3.48Å; F1602-F1659 VanDerWaalsContact CD1-CD1 3.48Å; F1602-F1659 AromaticContact CD1-CD2 3.69Å; F1602-F1659 HydrophobicContact CD1-CD2 3.69Å; F1602-F1659 AromaticContact CD1-CE1 3.49Å; F1602-F1659 HydrophobicContact CD1-CE1 3.49Å; F1602-F1659 VanDerWaalsContact CD1-CE1 3.49Å; F1602-F1659 AromaticContact CD1-CE2 3.69Å; F1602-F1659 HydrophobicContact CD1-CE2 3.69Å; F1602-F1659 AromaticContact CD1-CG 3.59Å; F1602-F1659 HydrophobicContact CD1-CG 3.59Å; F1602-F1659 AromaticContact CD1-CZ 3.6Å; F1602-F1659 HydrophobicContact CD1-CZ 3.6Å; F1602-F1659 HydrophobicContact CE1-CB 3.69Å; F1602-F1659 AromaticContact CE1-CD1 3.7Å; F1602-F1659 HydrophobicContact CE1-CD1 3.7Å; F1602-F1659 AromaticContact CE1-CD2 3.6Å; F1602-F1659 HydrophobicContact CE1-CD2 3.6Å; F1602-F1659 HydrophobicContact CE1-CE1 4.18Å; F1602-F1659 HydrophobicContact CE1-CE2 4.09Å; F1602-F1659 AromaticContact CE1-CG 3.38Å; F1602-F1659 HydrophobicContact CE1-CG 3.38Å; F1602-F1659 HydrophobicContact CE1-CZ 4.35Å; F1602-F1659 HydrophobicContact CG-CD2 4.35Å; F1602-F1659 HydrophobicContact CG-CE1 4.25Å; F1602-F1659 AromaticContact CG-CE2 4Å; F1602-F1659 HydrophobicContact CG-CE2 4Å; F1602-F1659 AromaticContact CG-CZ 3.95Å; F1602-F1659 HydrophobicContact CG-CZ 3.95Å; F1602-F1659 HydrophobicContact CZ-CB 4.43Å; F1602-F1659 HydrophobicContact CZ-CD2 4.21Å; F1602-F1659 HydrophobicContact CZ-CG 4.31Å; V1603-F1659 HydrophobicContact CG2-CD1 4.36Å; V1603-F1659 HydrophobicContact CG2-CE1 3.94Å; V1655-F1659 HydrophobicContact CG1-CD1 4.26Å; V1655-F1659 HydrophobicContact CG1-CD2 4.13Å; V1655-F1659 HydrophobicContact CG1-CE1 3.7Å; V1655-F1659 HydrophobicContact CG1-CE2 3.55Å; V1655-F1659 HydrophobicContact CG1-CG 4.46Å; V1655-F1659 HydrophobicContact CG1-CZ 3.31Å; V1655-F1659 WeakPolarHBondContact O-CD1 3.19Å; V1655-F1659 VanDerWaalsContact O-CG 3.23Å; V1655-F1659 WeakPolarHBondContact O-CG 3.35Å; V1655-F1659 PolarHBondContact O-N 3.45Å; I1656-F1659 PolarHBondContact O-N 2.92Å; F1659-K1661 PolarHBondContact O-N 3.28Å; F1659-Q1662 WeakPolarHBondContact O-CB 3.33Å; F1659-Q1662 PolarHBondContact O-N 3.33Å; F1659-I1663 WeakPolarHBondContact O-CG1 3.2Å; F1659-I1663 PolarHBondContact O-N 3.43Å |
| 1660 | S | 74.7 | Confident | 72.2 | Confident | 6 Ų | 6 | 45.4 Ų | 45.4 | 4% | 0.042 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.6 | -45.5 | 177.8 | -63.8 | 0 | 0 | 0 | 0 | 111.3 | I1656 N1657 Q1662 I1663 D1664 | I1656-S1660 PolarHBondContact O-N 3.18Å; I1656-S1660 PolarHBondContact O-OG 3.41Å; N1657-S1660 PolarHBondContact O-N 3.31Å; S1660-Q1662 VanDerWaalsContact C-N 3.32Å; S1660-Q1662 PolarHBondContact O-N 3.47Å; S1660-I1663 PolarHBondContact O-N 3.13Å; S1660-D1664 PolarHBondContact O-N 3.35Å |
| 1661 | K | 75.8 | Confident | 71.9 | Confident | 117 Ų | 117 | 44.6 Ų | 44.6 | 51% | 0.509 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -64.6 | -36.4 | 175.3 | -71.6 | 174 | -176.5 | 171.6 | 0 | 112.2 | N1657 D1658 F1659 D1664 C1665 F1691 | N1657-K1661 WeakPolarHBondContact O-CG 3.45Å; N1657-K1661 PolarHBondContact O-N 3.04Å; D1658-K1661 PolarHBondContact O-N 3.42Å; F1659-K1661 PolarHBondContact O-N 3.28Å; K1661-D1664 PolarHBondContact O-N 3.25Å; K1661-C1665 WeakPolarHBondContact O-CB 3.44Å; K1661-C1665 PolarHBondContact O-N 3.29Å; K1661-C1665 PolarHBondContact O-SG 2.96Å; K1661-F1691 HydrophobicContact CB-CD2 4.39Å; K1661-F1691 HydrophobicContact CB-CE2 3.5Å; K1661-F1691 HydrophobicContact CB-CZ 4.07Å; K1661-F1691 HydrophobicContact CD-CE2 4.4Å |
| 1662 | Q | 77.5 | Confident | 71.4 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.9 | -48.5 | 176.5 | -172.2 | -168.9 | 2.9 | 0 | 0 | 111.1 | V1603 D1658 F1659 S1660 D1664 C1665 L1666 F1691 Y1692 | V1603-Q1662 VanDerWaalsContact CG1-NE2 3.32Å; V1603-Q1662 PolarHBondContact O-NE2 3.33Å; D1658-Q1662 WeakPolarHBondContact O-CB 3.31Å; D1658-Q1662 PolarHBondContact O-N 3.18Å; F1659-Q1662 WeakPolarHBondContact O-CB 3.33Å; F1659-Q1662 PolarHBondContact O-N 3.33Å; S1660-Q1662 VanDerWaalsContact C-N 3.32Å; S1660-Q1662 PolarHBondContact O-N 3.47Å; Q1662-D1664 PolarHBondContact O-N 3.49Å; Q1662-C1665 PolarHBondContact O-N 3.46Å; Q1662-C1665 VanDerWaalsContact O-N 3.17Å; Q1662-L1666 HydrophobicContact CG-CD1 3.91Å; Q1662-L1666 HydrophobicContact CG-CG 4.31Å; Q1662-L1666 WeakPolarHBondContact O-CB 3.08Å; Q1662-L1666 WeakPolarHBondContact O-CG 3.45Å; Q1662-L1666 PolarHBondContact O-N 3.29Å; Q1662-F1691 HydrophobicContact CB-CE1 3.58Å; Q1662-F1691 HydrophobicContact CB-CZ 3.67Å; Q1662-F1691 HydrophobicContact CG-CE1 3.79Å; Q1662-F1691 HydrophobicContact CG-CZ 4.39Å; Q1662-Y1692 HydrophobicContact CG-CE1 4.28Å; Q1662-Y1692 PolarHBondContact NE2-OH 3.21Å |
| 1663 | I | 74.6 | Confident | 70.9 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.4 | -41.5 | 176.7 | -67 | 167.8 | 0 | 0 | 0 | 109.6 | F1602 I1606 S1618 I1621 R1622 L1625 F1659 S1660 L1666 L1667 | F1602-I1663 HydrophobicContact CZ-CD1 4.34Å; I1606-I1663 HydrophobicContact CG2-CG1 4.19Å; S1618-I1663 WeakPolarHBondContact O-CG2 3.04Å; I1621-I1663 HydrophobicContact CG2-CD1 3.97Å; R1622-I1663 HydrophobicContact CB-CG2 4.23Å; L1625-I1663 HydrophobicContact CD1-CD1 4.09Å; F1659-I1663 WeakPolarHBondContact O-CG1 3.2Å; F1659-I1663 PolarHBondContact O-N 3.43Å; S1660-I1663 PolarHBondContact O-N 3.13Å; I1663-L1666 PolarHBondContact O-N 2.76Å; I1663-L1667 HydrophobicContact CG2-CD1 4.03Å; I1663-L1667 HydrophobicContact CG2-CG 4.43Å; I1663-L1667 WeakPolarHBondContact O-CB 3.49Å; I1663-L1667 WeakPolarHBondContact O-CG 3.38Å; I1663-L1667 PolarHBondContact O-N 3.26Å |
| 1664 | D | 70.8 | Confident | 70.1 | Confident | 42 Ų | 42 | 39.1 Ų | 39.1 | 23% | 0.225 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.9 | -55.8 | 173 | -74.3 | -26.7 | 0 | 0 | 0 | 110.6 | R1622 S1660 K1661 Q1662 L1666 L1667 H1668 | R1622-D1664 VanDerWaalsContact CD-OD1 3.26Å; R1622-D1664 WeakPolarHBondContact CD-OD1 3.44Å; R1622-D1664 IonicContact CZ-OD1 2.74Å; R1622-D1664 IonicContact CZ-OD2 2.8Å; R1622-D1664 VanDerWaalsContact NE-CG 3.29Å; R1622-D1664 IonicContact NE-OD1 2.98Å; R1622-D1664 PolarHBondContact NE-OD1 3.35Å; R1622-D1664 IonicContact NE-OD2 3.09Å; R1622-D1664 PolarHBondContact NE-OD2 3.39Å; R1622-D1664 VanDerWaalsContact NE-OD2 3.1Å; R1622-D1664 IonicContact NH2-OD1 2.81Å; R1622-D1664 IonicContact NH2-OD2 3.07Å; R1622-D1664 PolarHBondContact NH2-OD2 3.2Å; S1660-D1664 PolarHBondContact O-N 3.35Å; K1661-D1664 PolarHBondContact O-N 3.25Å; Q1662-D1664 PolarHBondContact O-N 3.49Å; D1664-L1666 VanDerWaalsContact C-N 3.31Å; D1664-L1666 PolarHBondContact O-N 2.95Å; D1664-L1667 WeakPolarHBondContact O-CB 3.39Å; D1664-L1667 PolarHBondContact O-N 3.45Å; D1664-H1668 PolarHBondContact O-N 2.9Å; D1664-H1668 PolarHBondContact O-ND1 3.31Å |
| 1665 | C | 71.5 | Confident | 69.1 | Low | 38 Ų | 38 | 34.1 Ų | 34.1 | 26% | 0.257 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -55.6 | -42.1 | 178.7 | -71.7 | 0 | 0 | 0 | 0 | 113.2 | K1661 Q1662 H1668 Y1669 L1688 | K1661-C1665 WeakPolarHBondContact O-CB 3.44Å; K1661-C1665 PolarHBondContact O-N 3.29Å; K1661-C1665 PolarHBondContact O-SG 2.96Å; Q1662-C1665 PolarHBondContact O-N 3.46Å; Q1662-C1665 VanDerWaalsContact O-N 3.17Å; C1665-H1668 PolarHBondContact O-N 3.1Å; C1665-Y1669 PolarHBondContact O-N 3.38Å; C1665-L1688 HydrophobicContact CB-CD2 3.77Å |
| 1666 | L | 72 | Confident | 68.3 | Low | 3 Ų | 3 | 37.6 Ų | 37.6 | 2% | 0.016 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -71 | -37 | 178.7 | -71.5 | 173.3 | 0 | 0 | 0 | 112.9 | I1606 D1607 V1610 Q1662 I1663 D1664 H1668 Y1669 G1670 L1688 | I1606-L1666 HydrophobicContact CG2-CD1 3.66Å; D1607-L1666 HydrophobicContact CB-CD1 4.46Å; D1607-L1666 WeakPolarHBondContact OD1-CD2 3.49Å; V1610-L1666 HydrophobicContact CB-CB 4.45Å; V1610-L1666 HydrophobicContact CG1-CB 3.87Å; Q1662-L1666 HydrophobicContact CG-CD1 3.91Å; Q1662-L1666 HydrophobicContact CG-CG 4.31Å; Q1662-L1666 WeakPolarHBondContact O-CB 3.08Å; Q1662-L1666 WeakPolarHBondContact O-CG 3.45Å; Q1662-L1666 PolarHBondContact O-N 3.29Å; I1663-L1666 PolarHBondContact O-N 2.76Å; D1664-L1666 VanDerWaalsContact C-N 3.31Å; D1664-L1666 PolarHBondContact O-N 2.95Å; L1666-H1668 VanDerWaalsContact C-N 3.33Å; L1666-Y1669 PolarHBondContact O-N 3Å; L1666-G1670 PolarHBondContact O-N 3.3Å; L1666-L1688 HydrophobicContact CD2-CD2 4Å; L1666-L1688 HydrophobicContact CG-CD2 4.46Å |
| 1667 | L | 66.6 | Low | 67.8 | Low | 24 Ų | 24 | 37.1 Ų | 37.1 | 13% | 0.126 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.9 | -44 | 172.7 | -95.9 | 172.8 | 0 | 0 | 0 | 111.6 | T1615 S1618 I1663 D1664 G1670 K1671 | T1615-L1667 HydrophobicContact CG2-CD2 4.05Å; S1618-L1667 WeakPolarHBondContact OG-CD2 3.36Å; S1618-L1667 WeakPolarHBondContact OG-CG 3.47Å; I1663-L1667 HydrophobicContact CG2-CD1 4.03Å; I1663-L1667 HydrophobicContact CG2-CG 4.43Å; I1663-L1667 WeakPolarHBondContact O-CB 3.49Å; I1663-L1667 WeakPolarHBondContact O-CG 3.38Å; I1663-L1667 PolarHBondContact O-N 3.26Å; D1664-L1667 WeakPolarHBondContact O-CB 3.39Å; D1664-L1667 PolarHBondContact O-N 3.45Å; L1667-G1670 PolarHBondContact O-N 2.87Å; L1667-K1671 WeakPolarHBondContact O-CG 3.3Å; L1667-K1671 PolarHBondContact O-N 2.86Å |
| 1668 | H | 63.6 | Low | 67.3 | Low | 41 Ų | 41 | 36.3 Ų | 36.3 | 19% | 0.19 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.3 | -47.6 | 175.3 | -69.9 | 87.2 | 0 | 0 | 0 | 109.7 | D1664 C1665 L1666 G1670 K1671 F1672 | D1664-H1668 PolarHBondContact O-N 2.9Å; D1664-H1668 PolarHBondContact O-ND1 3.31Å; C1665-H1668 PolarHBondContact O-N 3.1Å; L1666-H1668 VanDerWaalsContact C-N 3.33Å; H1668-G1670 PolarHBondContact O-N 2.87Å; H1668-K1671 PolarHBondContact O-N 3.47Å; H1668-F1672 WeakPolarHBondContact O-CD2 3.2Å |
| 1669 | Y | 66.8 | Low | 67 | Low | 6 Ų | 6 | 35.7 Ų | 35.7 | 2% | 0.024 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.5 | -45.4 | 175.1 | 170.1 | -115.4 | 0 | 0 | 0 | 113.8 | C1665 L1666 K1671 F1672 I1673 A1684 F1685 L1688 | C1665-Y1669 PolarHBondContact O-N 3.38Å; L1666-Y1669 PolarHBondContact O-N 3Å; Y1669-K1671 PolarHBondContact O-N 2.77Å; Y1669-F1672 CarbonylContact O-C 3.57Å; Y1669-F1672 WeakPolarHBondContact O-CA 3.46Å; Y1669-F1672 PolarHBondContact O-N 3.21Å; Y1669-I1673 HydrophobicContact CE1-CD1 3.82Å; Y1669-I1673 HydrophobicContact CE1-CG1 4.4Å; Y1669-I1673 HydrophobicContact CE2-CB 4.26Å; Y1669-I1673 HydrophobicContact CE2-CD1 4.43Å; Y1669-I1673 HydrophobicContact CE2-CG1 4.18Å; Y1669-I1673 PolarHBondContact O-N 2.83Å; Y1669-I1673 WeakPolarHBondContact OH-CD1 3.34Å; Y1669-I1673 WeakPolarHBondContact OH-CG1 3.2Å; Y1669-A1684 HydrophobicContact CD2-CB 3.71Å; Y1669-A1684 HydrophobicContact CE2-CB 4.49Å; Y1669-F1685 HydrophobicContact CD2-CD1 4.41Å; Y1669-F1685 HydrophobicContact CD2-CE1 4.18Å; Y1669-F1685 AromaticContact CE2-CD1 3.86Å; Y1669-F1685 HydrophobicContact CE2-CD1 3.86Å; Y1669-F1685 AromaticContact CE2-CE1 3.24Å; Y1669-F1685 HydrophobicContact CE2-CE1 3.24Å; Y1669-F1685 HydrophobicContact CE2-CZ 4.03Å; Y1669-F1685 AromaticContact CZ-CE1 3.47Å; Y1669-F1685 VanDerWaalsContact CZ-CE1 3.47Å; Y1669-F1685 VanDerWaalsContact OH-CE1 3.26Å; Y1669-F1685 WeakPolarHBondContact OH-CE1 3.42Å; Y1669-L1688 HydrophobicContact CD1-CD1 4.08Å; Y1669-L1688 HydrophobicContact CD2-CD1 4.03Å; Y1669-L1688 HydrophobicContact CG-CD1 3.67Å |
| 1670 | G | 65.2 | Low | 66.5 | Low | 21 Ų | 21 | 35.8 Ų | 35.8 | 22% | 0.216 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.6 | -28.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L1666 L1667 H1668 F1672 | L1666-G1670 PolarHBondContact O-N 3.3Å; L1667-G1670 PolarHBondContact O-N 2.87Å; H1668-G1670 PolarHBondContact O-N 2.87Å; G1670-F1672 VanDerWaalsContact C-N 3.29Å |
| 1671 | K | 62.1 | Low | 66.5 | Low | 107 Ų | 107 | 37.3 Ų | 37.3 | 47% | 0.465 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -67.7 | -29.5 | 170.2 | -69.9 | 175.5 | -178.1 | 177.8 | 0 | 112.5 | L1667 H1668 Y1669 | L1667-K1671 WeakPolarHBondContact O-CG 3.3Å; L1667-K1671 PolarHBondContact O-N 2.86Å; H1668-K1671 PolarHBondContact O-N 3.47Å; Y1669-K1671 PolarHBondContact O-N 2.77Å |
| 1672 | F | 58.5 | Low | 66.5 | Low | 11 Ų | 11 | 32 Ų | 32 | 5% | 0.048 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -97.1 | -22.9 | -176.2 | -69.2 | -67.4 | 0 | 0 | 0 | 115 | H1668 Y1669 G1670 N1674 H1675 N1680 L1840 M1842 | H1668-F1672 WeakPolarHBondContact O-CD2 3.2Å; Y1669-F1672 CarbonylContact O-C 3.57Å; Y1669-F1672 WeakPolarHBondContact O-CA 3.46Å; Y1669-F1672 PolarHBondContact O-N 3.21Å; G1670-F1672 VanDerWaalsContact C-N 3.29Å; F1672-N1674 PolarHBondContact O-N 3.26Å; F1672-N1674 VanDerWaalsContact O-N 3.1Å; F1672-H1675 HydrophobicContact CD1-CB 4.2Å; F1672-H1675 VanDerWaalsContact O-CB 3.31Å; F1672-H1675 WeakPolarHBondContact O-CB 3.41Å; F1672-H1675 PolarHBondContact O-N 2.86Å; F1672-N1680 HydrophobicContact CD1-CB 3.67Å; F1672-N1680 HydrophobicContact CE1-CB 4.11Å; F1672-N1680 HydrophobicContact CG-CB 4.18Å; F1672-L1840 HydrophobicContact CE1-CD2 3.57Å; F1672-L1840 HydrophobicContact CE1-CG 3.92Å; F1672-L1840 HydrophobicContact CZ-CB 4.5Å; F1672-L1840 HydrophobicContact CZ-CD2 3.73Å; F1672-L1840 HydrophobicContact CZ-CG 3.82Å; F1672-M1842 HydrophobicContact CD2-CE 3.61Å; F1672-M1842 HydrophobicContact CE2-CB 4.39Å; F1672-M1842 HydrophobicContact CE2-CE 3.89Å; F1672-M1842 HydrophobicContact CE2-CG 4.34Å; F1672-M1842 HydrophobicContact CG-CE 4.46Å |
| 1673 | I | 57.7 | Low | 66.4 | Low | 42 Ų | 42 | 32.8 Ų | 32.8 | 22% | 0.215 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -27.2 | 179.5 | -154.6 | 178.3 | 0 | 0 | 0 | 112.5 | Y1669 | Y1669-I1673 HydrophobicContact CE1-CD1 3.82Å; Y1669-I1673 HydrophobicContact CE1-CG1 4.4Å; Y1669-I1673 HydrophobicContact CE2-CB 4.26Å; Y1669-I1673 HydrophobicContact CE2-CD1 4.43Å; Y1669-I1673 HydrophobicContact CE2-CG1 4.18Å; Y1669-I1673 PolarHBondContact O-N 2.83Å; Y1669-I1673 WeakPolarHBondContact OH-CD1 3.34Å; Y1669-I1673 WeakPolarHBondContact OH-CG1 3.2Å |
| 1674 | N | 52.3 | Low | 66.3 | Low | 65 Ų | 65 | 32.8 Ų | 32.8 | 35% | 0.348 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99 | -2.7 | 176.8 | -59.8 | -49.8 | 0 | 0 | 0 | 112.9 | F1672 | F1672-N1674 PolarHBondContact O-N 3.26Å; F1672-N1674 VanDerWaalsContact O-N 3.1Å |
| 1675 | H | 57.4 | Low | 66.6 | Low | 58 Ų | 58 | 31 Ų | 31 | 27% | 0.269 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -79.8 | 134.5 | 179.9 | -160.1 | -84.3 | 0 | 0 | 0 | 108.5 | F1672 S1677 Q1866 F1867 | F1672-H1675 HydrophobicContact CD1-CB 4.2Å; F1672-H1675 VanDerWaalsContact O-CB 3.31Å; F1672-H1675 WeakPolarHBondContact O-CB 3.41Å; F1672-H1675 PolarHBondContact O-N 2.86Å; H1675-S1677 WeakPolarHBondContact ND1-CB 3.41Å; H1675-S1677 PolarHBondContact ND1-N 3.3Å; H1675-S1677 PolarHBondContact ND1-OG 2.69Å; H1675-S1677 PolarHBondContact O-N 2.5Å; H1675-Q1866 PolarHBondContact CE1-O 3.09Å; H1675-F1867 AromaticContact CE1-CD1 3.79Å; H1675-F1867 AromaticContact CE1-CE1 3.78Å |
| 1676 | P | 57.5 | Low | 66.8 | Low | 84 Ų | 84 | 29.8 Ų | 29.8 | 55% | 0.545 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -63.4 | -9.8 | -179.5 | 26 | -35.4 | 0 | 0 | 0 | 113.6 | Q1678 | P1676-Q1678 PolarHBondContact O-N 3.17Å; P1676-Q1678 VanDerWaalsContact O-N 3.17Å |
| 1677 | S | 64.4 | Low | 66.8 | Low | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | trans | -79.4 | 98.5 | -178.1 | 67.4 | 0 | 0 | 0 | 0 | 112.4 | H1675 M1679 N1680 E1681 | H1675-S1677 WeakPolarHBondContact ND1-CB 3.41Å; H1675-S1677 PolarHBondContact ND1-N 3.3Å; H1675-S1677 PolarHBondContact ND1-OG 2.69Å; H1675-S1677 PolarHBondContact O-N 2.5Å; S1677-M1679 PolarHBondContact O-N 3.01Å; S1677-N1680 PolarHBondContact O-N 3.22Å; S1677-N1680 WeakPolarHBondContact OG-CB 3.38Å; S1677-N1680 PolarHBondContact OG-ND2 2.75Å; S1677-E1681 PolarHBondContact O-N 2.85Å | ||
| 1678 | Q | 68 | Low | 67.4 | Low | 73 Ų | 73 | 31.3 Ų | 31.3 | 34% | 0.341 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -55.3 | -35.6 | 174.9 | -47.7 | 171.7 | -9.6 | 0 | 0 | 111.9 | P1676 E1681 M1682 Y1715 | P1676-Q1678 PolarHBondContact O-N 3.17Å; P1676-Q1678 VanDerWaalsContact O-N 3.17Å; Q1678-E1681 PolarHBondContact O-N 3.45Å; Q1678-M1682 PolarHBondContact O-N 3.34Å; Q1678-M1682 VanDerWaalsContact O-N 3.15Å; Q1678-Y1715 HydrophobicContact CB-CE1 4.42Å; Q1678-Y1715 HydrophobicContact CB-CE2 3.98Å; Q1678-Y1715 HydrophobicContact CG-CE1 3.81Å; Q1678-Y1715 HydrophobicContact CG-CE2 4.11Å; Q1678-Y1715 VanDerWaalsContact CG-CZ 3.47Å; Q1678-Y1715 VanDerWaalsContact CG-OH 3.28Å; Q1678-Y1715 WeakPolarHBondContact CG-OH 3.26Å |
| 1679 | M | 69.9 | Low | 68.2 | Low | 8 Ų | 8 | 31.2 Ų | 31.2 | 4% | 0.039 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.3 | -43.9 | 175.9 | 164 | 153.9 | 66.8 | 0 | 0 | 112.5 | S1677 E1681 M1682 L1683 I1830 F1832 L1863 F1867 I1964 | S1677-M1679 PolarHBondContact O-N 3.01Å; M1679-E1681 VanDerWaalsContact C-N 3.32Å; M1679-M1682 PolarHBondContact O-N 2.92Å; M1679-L1683 HydrophobicContact CG-CD1 4.01Å; M1679-L1683 WeakPolarHBondContact O-CG 3.39Å; M1679-L1683 PolarHBondContact O-N 3.4Å; M1679-L1683 VanDerWaalsContact O-N 3.09Å; M1679-I1830 HydrophobicContact CE-CD1 4.46Å; M1679-I1830 HydrophobicContact SD-CD1 4.49Å; M1679-F1832 HydrophobicContact CE-CZ 3.72Å; M1679-L1863 HydrophobicContact CE-CD2 3.57Å; M1679-F1867 HydrophobicContact CE-CE2 4.1Å; M1679-I1964 HydrophobicContact CB-CD1 3.9Å; M1679-I1964 HydrophobicContact CG-CD1 3.35Å; M1679-I1964 HydrophobicContact SD-CD1 3.31Å; M1679-I1964 WeakPolarHBondContact SD-CD1 3.42Å; M1679-I1964 HydrophobicContact SD-CG1 4.14Å |
| 1680 | N | 69.6 | Low | 68.8 | Low | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -71.6 | -31.3 | -179.6 | -65.5 | -17.6 | 0 | 0 | 0 | 111.5 | F1672 S1677 L1683 A1684 F1867 | F1672-N1680 HydrophobicContact CD1-CB 3.67Å; F1672-N1680 HydrophobicContact CE1-CB 4.11Å; F1672-N1680 HydrophobicContact CG-CB 4.18Å; S1677-N1680 PolarHBondContact O-N 3.22Å; S1677-N1680 WeakPolarHBondContact OG-CB 3.38Å; S1677-N1680 PolarHBondContact OG-ND2 2.75Å; N1680-L1683 PolarHBondContact O-N 3.05Å; N1680-A1684 VanDerWaalsContact O-CB 3.31Å; N1680-A1684 WeakPolarHBondContact O-CB 3.36Å; N1680-A1684 PolarHBondContact O-N 2.88Å; N1680-F1867 WeakPolarHBondContact ND2-CE1 3.42Å; N1680-F1867 WeakPolarHBondContact ND2-CZ 3.28Å |
| 1681 | E | 74.1 | Confident | 69.5 | Low | 37 Ų | 37 | 35.6 Ų | 35.6 | 17% | 0.173 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.9 | -46.1 | 175.5 | -162.2 | -175.7 | 177.2 | 0 | 0 | 111.4 | S1677 Q1678 M1679 L1683 A1684 F1685 L1711 | S1677-E1681 PolarHBondContact O-N 2.85Å; Q1678-E1681 PolarHBondContact O-N 3.45Å; M1679-E1681 VanDerWaalsContact C-N 3.32Å; E1681-L1683 PolarHBondContact O-N 3Å; E1681-A1684 WeakPolarHBondContact O-CB 3.38Å; E1681-A1684 PolarHBondContact O-N 3.16Å; E1681-F1685 HydrophobicContact CG-CE2 4.23Å; E1681-F1685 HydrophobicContact CG-CZ 4.17Å; E1681-F1685 PolarHBondContact O-N 3.42Å; E1681-L1711 HydrophobicContact CB-CD1 4.29Å; E1681-L1711 HydrophobicContact CG-CD1 3.92Å; E1681-L1711 WeakPolarHBondContact OE2-CD2 2.9Å |
| 1682 | M | 77.4 | Confident | 70.4 | Confident | 7 Ų | 7 | 30.5 Ų | 30.5 | 3% | 0.034 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61 | -44.6 | 174.8 | -72 | -173.4 | 153.3 | 0 | 0 | 112.3 | Q1678 M1679 A1684 F1685 C1686 L1708 L1711 H1712 Y1715 I1962 P1963 | Q1678-M1682 PolarHBondContact O-N 3.34Å; Q1678-M1682 VanDerWaalsContact O-N 3.15Å; M1679-M1682 PolarHBondContact O-N 2.92Å; M1682-A1684 VanDerWaalsContact C-N 3.3Å; M1682-A1684 PolarHBondContact O-N 3.27Å; M1682-F1685 PolarHBondContact O-N 2.91Å; M1682-C1686 PolarHBondContact O-N 2.83Å; M1682-C1686 VanDerWaalsContact O-N 3.11Å; M1682-L1708 HydrophobicContact CB-CD1 4.32Å; M1682-L1708 HydrophobicContact CE-CD1 4.5Å; M1682-L1708 HydrophobicContact CG-CD1 4.06Å; M1682-L1711 HydrophobicContact CE-CB 3.91Å; M1682-L1711 HydrophobicContact CG-CD1 3.96Å; M1682-H1712 WeakPolarHBondContact CE-CE1 3.43Å; M1682-H1712 WeakPolarHBondContact CE-ND1 3.24Å; M1682-Y1715 HydrophobicContact CE-CD2 4.43Å; M1682-I1962 HydrophobicContact CB-CG2 4.4Å; M1682-P1963 HydrophobicContact SD-CG 4.3Å |
| 1683 | L | 74.2 | Confident | 71.5 | Confident | 16 Ų | 16 | 33.9 Ų | 33.9 | 8% | 0.084 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.8 | -37.3 | 175.8 | -75.6 | 165.8 | 0 | 0 | 0 | 112 | M1679 N1680 E1681 C1686 N1687 L1848 I1962 | M1679-L1683 HydrophobicContact CG-CD1 4.01Å; M1679-L1683 WeakPolarHBondContact O-CG 3.39Å; M1679-L1683 PolarHBondContact O-N 3.4Å; M1679-L1683 VanDerWaalsContact O-N 3.09Å; N1680-L1683 PolarHBondContact O-N 3.05Å; E1681-L1683 PolarHBondContact O-N 3Å; L1683-C1686 PolarHBondContact O-N 2.84Å; L1683-N1687 PolarHBondContact O-N 3.03Å; L1683-L1848 HydrophobicContact CD1-CD1 3.99Å; L1683-I1962 HydrophobicContact CD2-CD1 4.31Å |
| 1684 | A | 73.1 | Confident | 72.5 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.008 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62 | -44.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | Y1669 N1680 E1681 M1682 C1686 N1687 L1688 M1842 | Y1669-A1684 HydrophobicContact CD2-CB 3.71Å; Y1669-A1684 HydrophobicContact CE2-CB 4.49Å; N1680-A1684 VanDerWaalsContact O-CB 3.31Å; N1680-A1684 WeakPolarHBondContact O-CB 3.36Å; N1680-A1684 PolarHBondContact O-N 2.88Å; E1681-A1684 WeakPolarHBondContact O-CB 3.38Å; E1681-A1684 PolarHBondContact O-N 3.16Å; M1682-A1684 VanDerWaalsContact C-N 3.3Å; M1682-A1684 PolarHBondContact O-N 3.27Å; A1684-C1686 VanDerWaalsContact C-N 3.33Å; A1684-C1686 PolarHBondContact O-N 2.74Å; A1684-N1687 PolarHBondContact O-N 2.89Å; A1684-L1688 WeakPolarHBondContact O-CB 3.38Å; A1684-L1688 WeakPolarHBondContact O-CG 3.21Å; A1684-L1688 PolarHBondContact O-N 3.25Å; A1684-M1842 HydrophobicContact CB-CE 3.21Å; A1684-M1842 HydrophobicContact CB-SD 4.29Å |
| 1685 | F | 77 | Confident | 73.7 | Confident | 6 Ų | 6 | 33.4 Ų | 33.4 | 3% | 0.026 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.5 | -38.7 | 176.5 | -68.7 | -21 | 0 | 0 | 0 | 112.5 | Y1669 E1681 M1682 R1689 Y1704 R1707 L1708 L1711 | Y1669-F1685 HydrophobicContact CD2-CD1 4.41Å; Y1669-F1685 HydrophobicContact CD2-CE1 4.18Å; Y1669-F1685 AromaticContact CE2-CD1 3.86Å; Y1669-F1685 HydrophobicContact CE2-CD1 3.86Å; Y1669-F1685 AromaticContact CE2-CE1 3.24Å; Y1669-F1685 HydrophobicContact CE2-CE1 3.24Å; Y1669-F1685 HydrophobicContact CE2-CZ 4.03Å; Y1669-F1685 AromaticContact CZ-CE1 3.47Å; Y1669-F1685 VanDerWaalsContact CZ-CE1 3.47Å; Y1669-F1685 VanDerWaalsContact OH-CE1 3.26Å; Y1669-F1685 WeakPolarHBondContact OH-CE1 3.42Å; E1681-F1685 HydrophobicContact CG-CE2 4.23Å; E1681-F1685 HydrophobicContact CG-CZ 4.17Å; E1681-F1685 PolarHBondContact O-N 3.42Å; M1682-F1685 PolarHBondContact O-N 2.91Å; F1685-R1689 VanDerWaalsContact O-CB 3.26Å; F1685-R1689 WeakPolarHBondContact O-CB 3.25Å; F1685-R1689 PolarHBondContact O-N 3.32Å; F1685-Y1704 AromaticContact CD1-CD1 3.53Å; F1685-Y1704 HydrophobicContact CD1-CD1 3.53Å; F1685-Y1704 AromaticContact CD1-CE1 3.89Å; F1685-Y1704 HydrophobicContact CD1-CE1 3.89Å; F1685-Y1704 AromaticContact CE1-CD1 3.84Å; F1685-Y1704 HydrophobicContact CE1-CD1 3.84Å; F1685-Y1704 AromaticContact CE1-CE1 3.9Å; F1685-Y1704 HydrophobicContact CE1-CE1 3.9Å; F1685-Y1704 HydrophobicContact CG-CD1 4.3Å; F1685-R1707 HydrophobicContact CD2-CB 4.31Å; F1685-R1707 HydrophobicContact CE1-CB 4.44Å; F1685-R1707 HydrophobicContact CE2-CB 3.73Å; F1685-R1707 HydrophobicContact CZ-CB 3.84Å; F1685-L1708 HydrophobicContact CD2-CB 4.31Å; F1685-L1708 HydrophobicContact CD2-CD1 4.36Å; F1685-L1711 HydrophobicContact CD2-CD1 3.55Å; F1685-L1711 HydrophobicContact CE2-CD1 3.27Å; F1685-L1711 HydrophobicContact CE2-CG 3.94Å; F1685-L1711 HydrophobicContact CZ-CD1 4.37Å |
| 1686 | C | 75.1 | Confident | 74.7 | Confident | 12 Ų | 12 | 36.5 Ų | 36.5 | 8% | 0.081 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.4 | -38.5 | 174.2 | -74.3 | 0 | 0 | 0 | 0 | 112.9 | M1682 L1683 A1684 R1689 K1690 I1962 | M1682-C1686 PolarHBondContact O-N 2.83Å; M1682-C1686 VanDerWaalsContact O-N 3.11Å; L1683-C1686 PolarHBondContact O-N 2.84Å; A1684-C1686 VanDerWaalsContact C-N 3.33Å; A1684-C1686 PolarHBondContact O-N 2.74Å; C1686-R1689 PolarHBondContact O-N 2.96Å; C1686-K1690 WeakPolarHBondContact O-CG 3.2Å; C1686-K1690 PolarHBondContact O-N 3.17Å; C1686-I1962 HydrophobicContact CB-CD1 4.36Å; C1686-I1962 WeakPolarHBondContact SG-CG2 3.38Å |
| 1687 | N | 73 | Confident | 75.8 | Confident | 56 Ų | 56 | 33.3 Ų | 33.3 | 30% | 0.299 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -69.6 | -42 | 177.2 | -73.9 | -16.5 | 0 | 0 | 0 | 111.9 | L1683 A1684 R1689 K1690 F1691 M1842 | L1683-N1687 PolarHBondContact O-N 3.03Å; A1684-N1687 PolarHBondContact O-N 2.89Å; N1687-R1689 VanDerWaalsContact C-N 3.34Å; N1687-K1690 PolarHBondContact O-N 3.13Å; N1687-F1691 WeakPolarHBondContact O-CB 3.26Å; N1687-F1691 PolarHBondContact O-N 3.05Å; N1687-M1842 HydrophobicContact CB-SD 3.91Å; N1687-M1842 PolarHBondContact ND2-SD 2.68Å |
| 1688 | L | 77.7 | Confident | 76.4 | Confident | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.016 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61 | -43.7 | 172.1 | -78.1 | 165.9 | 0 | 0 | 0 | 111.1 | C1665 L1666 Y1669 A1684 F1691 Y1692 Y1704 | C1665-L1688 HydrophobicContact CB-CD2 3.77Å; L1666-L1688 HydrophobicContact CD2-CD2 4Å; L1666-L1688 HydrophobicContact CG-CD2 4.46Å; Y1669-L1688 HydrophobicContact CD1-CD1 4.08Å; Y1669-L1688 HydrophobicContact CD2-CD1 4.03Å; Y1669-L1688 HydrophobicContact CG-CD1 3.67Å; A1684-L1688 WeakPolarHBondContact O-CB 3.38Å; A1684-L1688 WeakPolarHBondContact O-CG 3.21Å; A1684-L1688 PolarHBondContact O-N 3.25Å; L1688-F1691 WeakPolarHBondContact O-CB 3.47Å; L1688-F1691 PolarHBondContact O-N 2.61Å; L1688-Y1692 HydrophobicContact CB-CD2 4.35Å; L1688-Y1692 HydrophobicContact CB-CE2 4.21Å; L1688-Y1692 HydrophobicContact CD2-CE2 4.01Å; L1688-Y1692 WeakPolarHBondContact O-CD2 3.26Å; L1688-Y1692 PolarHBondContact O-N 3.41Å; L1688-Y1704 HydrophobicContact CB-CD1 4.49Å; L1688-Y1704 HydrophobicContact CB-CD2 4.46Å; L1688-Y1704 HydrophobicContact CB-CG 4.46Å; L1688-Y1704 HydrophobicContact CD1-CD1 4.16Å; L1688-Y1704 HydrophobicContact CD1-CE1 3.53Å; L1688-Y1704 HydrophobicContact CD1-CE2 4.47Å |
| 1689 | R | 81.9 | Confident | 76.7 | Confident | 39 Ų | 39 | 38.6 Ų | 38.6 | 15% | 0.147 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56.4 | -52.9 | 173.6 | 174.1 | -175.8 | 166.2 | -134.5 | -9.5 | 111.5 | F1685 C1686 N1687 F1691 Y1692 E1693 I1701 | F1685-R1689 VanDerWaalsContact O-CB 3.26Å; F1685-R1689 WeakPolarHBondContact O-CB 3.25Å; F1685-R1689 PolarHBondContact O-N 3.32Å; C1686-R1689 PolarHBondContact O-N 2.96Å; N1687-R1689 VanDerWaalsContact C-N 3.34Å; R1689-F1691 VanDerWaalsContact C-N 3.25Å; R1689-F1691 PolarHBondContact O-N 3Å; R1689-Y1692 PolarHBondContact O-N 3.09Å; R1689-Y1692 VanDerWaalsContact O-N 3.14Å; R1689-E1693 HydrophobicContact CG-CG 4.43Å; R1689-E1693 IonicContact CZ-OE1 2.75Å; R1689-E1693 IonicContact NE-OE1 3.81Å; R1689-E1693 PolarHBondContact NE-OE1 3.3Å; R1689-E1693 IonicContact NH2-OE1 3.74Å; R1689-E1693 PolarHBondContact NH2-OE1 3.36Å; R1689-E1693 IonicContact NH2-OE2 3.07Å; R1689-E1693 WeakPolarHBondContact O-CB 3.31Å; R1689-E1693 WeakPolarHBondContact O-CG 3.37Å; R1689-E1693 PolarHBondContact O-N 2.89Å; R1689-I1701 HydrophobicContact CG-CG2 4.24Å |
| 1690 | K | 78.8 | Confident | 77.2 | Confident | 101 Ų | 101 | 38.5 Ų | 38.5 | 44% | 0.439 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -60 | -37.1 | 179.4 | -74.6 | -179.9 | 178.9 | -176.3 | 0 | 112 | C1686 N1687 S1694 | C1686-K1690 WeakPolarHBondContact O-CG 3.2Å; C1686-K1690 PolarHBondContact O-N 3.17Å; N1687-K1690 PolarHBondContact O-N 3.13Å; K1690-S1694 PolarHBondContact O-N 3.22Å |
| 1691 | F | 79 | Confident | 77.9 | Confident | 18 Ų | 18 | 38.9 Ų | 38.9 | 8% | 0.079 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.8 | -49.7 | 173.1 | 173 | -99.9 | 0 | 0 | 0 | 111.6 | D1658 K1661 Q1662 N1687 L1688 R1689 E1693 S1694 I1695 | D1658-F1691 WeakPolarHBondContact O-CZ 3.37Å; K1661-F1691 HydrophobicContact CB-CD2 4.39Å; K1661-F1691 HydrophobicContact CB-CE2 3.5Å; K1661-F1691 HydrophobicContact CB-CZ 4.07Å; K1661-F1691 HydrophobicContact CD-CE2 4.4Å; Q1662-F1691 HydrophobicContact CB-CE1 3.58Å; Q1662-F1691 HydrophobicContact CB-CZ 3.67Å; Q1662-F1691 HydrophobicContact CG-CE1 3.79Å; Q1662-F1691 HydrophobicContact CG-CZ 4.39Å; N1687-F1691 WeakPolarHBondContact O-CB 3.26Å; N1687-F1691 PolarHBondContact O-N 3.05Å; L1688-F1691 WeakPolarHBondContact O-CB 3.47Å; L1688-F1691 PolarHBondContact O-N 2.61Å; R1689-F1691 VanDerWaalsContact C-N 3.25Å; R1689-F1691 PolarHBondContact O-N 3Å; F1691-E1693 VanDerWaalsContact C-N 3.28Å; F1691-E1693 PolarHBondContact O-N 3.49Å; F1691-S1694 WeakPolarHBondContact O-CA 3.43Å; F1691-S1694 WeakPolarHBondContact O-CB 3.44Å; F1691-S1694 PolarHBondContact O-N 3.49Å; F1691-S1694 PolarHBondContact O-OG 3.28Å; F1691-I1695 HydrophobicContact CE1-CD1 3.96Å; F1691-I1695 HydrophobicContact CE1-CG1 4.49Å; F1691-I1695 HydrophobicContact CE2-CG2 4.3Å; F1691-I1695 HydrophobicContact CZ-CD1 4.25Å; F1691-I1695 HydrophobicContact CZ-CG2 4.15Å; F1691-I1695 PolarHBondContact O-N 2.87Å; F1691-I1695 VanDerWaalsContact O-N 3.16Å |
| 1692 | Y | 82.1 | Confident | 78.4 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.1 | -29.6 | 178.5 | -69.9 | -59 | 0 | 0 | 0 | 113 | V1603 Q1662 L1688 R1689 I1695 N1696 R1697 M1700 Y1704 | V1603-Y1692 HydrophobicContact CG1-CE1 4.02Å; Q1662-Y1692 HydrophobicContact CG-CE1 4.28Å; Q1662-Y1692 PolarHBondContact NE2-OH 3.21Å; L1688-Y1692 HydrophobicContact CB-CD2 4.35Å; L1688-Y1692 HydrophobicContact CB-CE2 4.21Å; L1688-Y1692 HydrophobicContact CD2-CE2 4.01Å; L1688-Y1692 WeakPolarHBondContact O-CD2 3.26Å; L1688-Y1692 PolarHBondContact O-N 3.41Å; R1689-Y1692 PolarHBondContact O-N 3.09Å; R1689-Y1692 VanDerWaalsContact O-N 3.14Å; Y1692-I1695 HydrophobicContact CD1-CD1 3.82Å; Y1692-I1695 HydrophobicContact CD1-CG1 4.19Å; Y1692-I1695 HydrophobicContact CE1-CD1 4.27Å; Y1692-I1695 CarbonylContact O-C 3.59Å; Y1692-I1695 PolarHBondContact O-N 3.26Å; Y1692-N1696 PolarHBondContact O-N 2.88Å; Y1692-R1697 HydrophobicContact CD1-CB 4.25Å; Y1692-R1697 PolarHBondContact O-N 3.44Å; Y1692-M1700 HydrophobicContact CD1-CB 3.59Å; Y1692-M1700 HydrophobicContact CD1-CG 4.04Å; Y1692-M1700 HydrophobicContact CD2-CB 3.79Å; Y1692-M1700 HydrophobicContact CE1-CB 3.87Å; Y1692-M1700 HydrophobicContact CE1-CG 3.92Å; Y1692-M1700 HydrophobicContact CE2-CB 4.06Å; Y1692-M1700 HydrophobicContact CG-CB 3.57Å; Y1692-M1700 HydrophobicContact CG-CG 4.49Å; Y1692-Y1704 AromaticContact CD2-CD2 3.88Å; Y1692-Y1704 HydrophobicContact CD2-CD2 3.88Å; Y1692-Y1704 HydrophobicContact CD2-CE2 4.06Å; Y1692-Y1704 AromaticContact CE2-CD2 3.68Å; Y1692-Y1704 HydrophobicContact CE2-CD2 3.68Å; Y1692-Y1704 AromaticContact CE2-CE2 3.35Å; Y1692-Y1704 HydrophobicContact CE2-CE2 3.35Å |
| 1693 | E | 81.2 | Confident | 78.7 | Confident | 81 Ų | 81 | 40.8 Ų | 40.8 | 38% | 0.379 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -64.3 | -41 | 167.8 | -76.8 | 175 | 174.4 | 0 | 0 | 111.7 | R1689 F1691 I1695 N1696 I1701 | R1689-E1693 HydrophobicContact CG-CG 4.43Å; R1689-E1693 IonicContact CZ-OE1 2.75Å; R1689-E1693 IonicContact NE-OE1 3.81Å; R1689-E1693 PolarHBondContact NE-OE1 3.3Å; R1689-E1693 IonicContact NH2-OE1 3.74Å; R1689-E1693 PolarHBondContact NH2-OE1 3.36Å; R1689-E1693 IonicContact NH2-OE2 3.07Å; R1689-E1693 WeakPolarHBondContact O-CB 3.31Å; R1689-E1693 WeakPolarHBondContact O-CG 3.37Å; R1689-E1693 PolarHBondContact O-N 2.89Å; F1691-E1693 VanDerWaalsContact C-N 3.28Å; F1691-E1693 PolarHBondContact O-N 3.49Å; E1693-I1695 VanDerWaalsContact C-N 3.27Å; E1693-I1695 PolarHBondContact O-N 3.48Å; E1693-N1696 PolarHBondContact O-N 3.06Å; E1693-I1701 HydrophobicContact CB-CD1 4.25Å; E1693-I1701 HydrophobicContact CG-CD1 3.46Å; E1693-I1701 VanDerWaalsContact CG-CD1 3.46Å; E1693-I1701 HydrophobicContact CG-CG1 3.98Å |
| 1694 | S | 78.7 | Confident | 79.1 | Confident | 82 Ų | 82 | 40.1 Ų | 40.1 | 57% | 0.573 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -65 | -29.7 | 178 | 79.6 | 0 | 0 | 0 | 0 | 113.5 | K1690 F1691 | K1690-S1694 PolarHBondContact O-N 3.22Å; F1691-S1694 WeakPolarHBondContact O-CA 3.43Å; F1691-S1694 WeakPolarHBondContact O-CB 3.44Å; F1691-S1694 PolarHBondContact O-N 3.49Å; F1691-S1694 PolarHBondContact O-OG 3.28Å |
| 1695 | I | 78.3 | Confident | 79.9 | Confident | 15 Ų | 15 | 40.2 Ų | 40.2 | 8% | 0.077 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 6.3 | 173.7 | 66.6 | 164.6 | 0 | 0 | 0 | 113.2 | D1658 F1691 Y1692 E1693 R1697 | D1658-I1695 HydrophobicContact CB-CG2 4.09Å; F1691-I1695 HydrophobicContact CE1-CD1 3.96Å; F1691-I1695 HydrophobicContact CE1-CG1 4.49Å; F1691-I1695 HydrophobicContact CE2-CG2 4.3Å; F1691-I1695 HydrophobicContact CZ-CD1 4.25Å; F1691-I1695 HydrophobicContact CZ-CG2 4.15Å; F1691-I1695 PolarHBondContact O-N 2.87Å; F1691-I1695 VanDerWaalsContact O-N 3.16Å; Y1692-I1695 HydrophobicContact CD1-CD1 3.82Å; Y1692-I1695 HydrophobicContact CD1-CG1 4.19Å; Y1692-I1695 HydrophobicContact CE1-CD1 4.27Å; Y1692-I1695 CarbonylContact O-C 3.59Å; Y1692-I1695 PolarHBondContact O-N 3.26Å; E1693-I1695 VanDerWaalsContact C-N 3.27Å; E1693-I1695 PolarHBondContact O-N 3.48Å; I1695-R1697 HydrophobicContact CD1-CB 4.28Å; I1695-R1697 HydrophobicContact CD1-CG 3.63Å; I1695-R1697 HydrophobicContact CG1-CB 4.15Å; I1695-R1697 HydrophobicContact CG1-CG 3.77Å; I1695-R1697 PolarHBondContact O-N 2.85Å |
| 1696 | N | 77.5 | Confident | 80.4 | Confident | 124 Ų | 124 | 40.1 Ų | 40.1 | 66% | 0.663 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 38.1 | 177.5 | -164.3 | 35.3 | 0 | 0 | 0 | 114.8 | Y1692 E1693 | Y1692-N1696 PolarHBondContact O-N 2.88Å; E1693-N1696 PolarHBondContact O-N 3.06Å |
| 1697 | R | 80.1 | Confident | 80.9 | Confident | 17 Ų | 17 | 41.7 Ų | 41.7 | 6% | 0.064 | 20% | 0.201 | C | C | . | . | trans | -98.4 | 88.3 | 179.2 | -73 | -65 | -62.8 | -97.6 | -0.3 | 112.4 | E1599 N1600 Y1692 I1695 D1699 M1700 I1701 | E1599-R1697 PolarHBondContact O-NH1 3.48Å; E1599-R1697 VanDerWaalsContact O-NH1 3.13Å; N1600-R1697 PolarHBondContact OD1-NH1 2.92Å; Y1692-R1697 HydrophobicContact CD1-CB 4.25Å; Y1692-R1697 PolarHBondContact O-N 3.44Å; I1695-R1697 HydrophobicContact CD1-CB 4.28Å; I1695-R1697 HydrophobicContact CD1-CG 3.63Å; I1695-R1697 HydrophobicContact CG1-CB 4.15Å; I1695-R1697 HydrophobicContact CG1-CG 3.77Å; I1695-R1697 PolarHBondContact O-N 2.85Å; R1697-D1699 IonicContact CZ-OD1 3.22Å; R1697-D1699 IonicContact CZ-OD2 3.1Å; R1697-D1699 IonicContact NE-OD1 3.82Å; R1697-D1699 PolarHBondContact NE-OD1 3.01Å; R1697-D1699 IonicContact NE-OD2 3.93Å; R1697-D1699 IonicContact NH2-OD1 2.84Å; R1697-D1699 IonicContact NH2-OD2 2.78Å; R1697-D1699 PolarHBondContact NH2-OD2 3.34Å; R1697-D1699 PolarHBondContact O-N 3.14Å; R1697-M1700 HydrophobicContact CB-CB 4.32Å; R1697-M1700 PolarHBondContact O-N 3.27Å; R1697-I1701 WeakPolarHBondContact O-CD1 3.43Å; R1697-I1701 VanDerWaalsContact O-CG1 3.24Å; R1697-I1701 WeakPolarHBondContact O-CG1 3.47Å; R1697-I1701 PolarHBondContact O-N 3.29Å; R1697-I1701 VanDerWaalsContact O-N 3.12Å | ||
| 1698 | K | 78.4 | Confident | 81.6 | Confident | 136 Ų | 136 | 39.1 Ų | 39.1 | 59% | 0.591 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -63.3 | -36.7 | -176.2 | -65.9 | -173.4 | 179.5 | -176.7 | 0 | 114.2 | I1701 L1702 | K1698-I1701 PolarHBondContact O-N 3.35Å; K1698-L1702 WeakPolarHBondContact O-CB 3.23Å; K1698-L1702 PolarHBondContact O-N 2.62Å |
| 1699 | D | 74.6 | Confident | 82.1 | Confident | 48 Ų | 48 | 39.3 Ų | 39.3 | 26% | 0.257 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -56.8 | -51.9 | 175.3 | 58 | -39.3 | 0 | 0 | 0 | 111.3 | R1697 I1701 L1702 R1703 | R1697-D1699 IonicContact CZ-OD1 3.22Å; R1697-D1699 IonicContact CZ-OD2 3.1Å; R1697-D1699 IonicContact NE-OD1 3.82Å; R1697-D1699 PolarHBondContact NE-OD1 3.01Å; R1697-D1699 IonicContact NE-OD2 3.93Å; R1697-D1699 IonicContact NH2-OD1 2.84Å; R1697-D1699 IonicContact NH2-OD2 2.78Å; R1697-D1699 PolarHBondContact NH2-OD2 3.34Å; R1697-D1699 PolarHBondContact O-N 3.14Å; D1699-I1701 PolarHBondContact O-N 3.44Å; D1699-L1702 PolarHBondContact O-N 3.33Å; D1699-R1703 WeakPolarHBondContact O-CB 3.48Å; D1699-R1703 PolarHBondContact O-N 3.45Å |
| 1700 | M | 80.1 | Confident | 82.2 | Confident | 5 Ų | 5 | 42.1 Ų | 42.1 | 3% | 0.025 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67.8 | -39.3 | 179.4 | -68.1 | -64.2 | 158.4 | 0 | 0 | 112 | V1603 S1604 Y1692 R1697 L1702 R1703 Y1704 | V1603-M1700 HydrophobicContact CG1-CE 4.01Å; V1603-M1700 HydrophobicContact CG1-CG 3.89Å; V1603-M1700 HydrophobicContact CG1-SD 4.39Å; S1604-M1700 VanDerWaalsContact CA-CE 3.48Å; Y1692-M1700 HydrophobicContact CD1-CB 3.59Å; Y1692-M1700 HydrophobicContact CD1-CG 4.04Å; Y1692-M1700 HydrophobicContact CD2-CB 3.79Å; Y1692-M1700 HydrophobicContact CE1-CB 3.87Å; Y1692-M1700 HydrophobicContact CE1-CG 3.92Å; Y1692-M1700 HydrophobicContact CE2-CB 4.06Å; Y1692-M1700 HydrophobicContact CG-CB 3.57Å; Y1692-M1700 HydrophobicContact CG-CG 4.49Å; R1697-M1700 HydrophobicContact CB-CB 4.32Å; R1697-M1700 PolarHBondContact O-N 3.27Å; M1700-L1702 VanDerWaalsContact C-N 3.33Å; M1700-L1702 PolarHBondContact O-N 3.07Å; M1700-R1703 PolarHBondContact O-N 3.37Å; M1700-Y1704 VanDerWaalsContact O-CD2 3.23Å; M1700-Y1704 WeakPolarHBondContact O-CD2 3.37Å; M1700-Y1704 PolarHBondContact O-N 3Å |
| 1701 | I | 83.5 | Confident | 82.4 | Confident | 12 Ų | 12 | 38.2 Ų | 38.2 | 6% | 0.062 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -56.6 | -49.6 | 174.4 | -68.2 | 160.5 | 0 | 0 | 0 | 110.3 | R1689 E1693 R1697 K1698 D1699 R1703 Y1704 L1705 | R1689-I1701 HydrophobicContact CG-CG2 4.24Å; E1693-I1701 HydrophobicContact CB-CD1 4.25Å; E1693-I1701 HydrophobicContact CG-CD1 3.46Å; E1693-I1701 VanDerWaalsContact CG-CD1 3.46Å; E1693-I1701 HydrophobicContact CG-CG1 3.98Å; R1697-I1701 WeakPolarHBondContact O-CD1 3.43Å; R1697-I1701 VanDerWaalsContact O-CG1 3.24Å; R1697-I1701 WeakPolarHBondContact O-CG1 3.47Å; R1697-I1701 PolarHBondContact O-N 3.29Å; R1697-I1701 VanDerWaalsContact O-N 3.12Å; K1698-I1701 PolarHBondContact O-N 3.35Å; D1699-I1701 PolarHBondContact O-N 3.44Å; I1701-R1703 PolarHBondContact O-N 3.16Å; I1701-Y1704 PolarHBondContact O-N 3.37Å; I1701-L1705 HydrophobicContact CG2-CD1 3.83Å; I1701-L1705 HydrophobicContact CG2-CG 4.33Å; I1701-L1705 WeakPolarHBondContact O-CG 3.01Å; I1701-L1705 PolarHBondContact O-N 3.12Å |
| 1702 | L | 85 | Confident | 82.9 | Confident | 17 Ų | 17 | 37.3 Ų | 37.3 | 9% | 0.089 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.9 | -44.4 | -178.8 | -171.4 | 72.4 | 0 | 0 | 0 | 111.5 | K1698 D1699 M1700 Y1704 L1705 Y1706 I1728 Y1732 D1743 | K1698-L1702 WeakPolarHBondContact O-CB 3.23Å; K1698-L1702 PolarHBondContact O-N 2.62Å; D1699-L1702 PolarHBondContact O-N 3.33Å; M1700-L1702 VanDerWaalsContact C-N 3.33Å; M1700-L1702 PolarHBondContact O-N 3.07Å; L1702-Y1704 VanDerWaalsContact C-N 3.32Å; L1702-Y1704 PolarHBondContact O-N 3Å; L1702-L1705 PolarHBondContact O-N 3.41Å; L1702-Y1706 HydrophobicContact CD1-CD2 4.3Å; L1702-Y1706 HydrophobicContact CD1-CE2 3.74Å; L1702-Y1706 HydrophobicContact CD2-CE2 4.01Å; L1702-Y1706 HydrophobicContact CG-CD2 3.92Å; L1702-Y1706 HydrophobicContact CG-CE2 3.59Å; L1702-Y1706 WeakPolarHBondContact O-CD2 3.48Å; L1702-Y1706 PolarHBondContact O-N 3.41Å; L1702-I1728 HydrophobicContact CD1-CG2 3.87Å; L1702-Y1732 HydrophobicContact CD1-CE2 4.27Å; L1702-Y1732 VanDerWaalsContact CD2-OH 3.24Å; L1702-Y1732 WeakPolarHBondContact CD2-OH 3.39Å; L1702-D1743 HydrophobicContact CD2-CB 4.09Å |
| 1703 | R | 82.6 | Confident | 83.1 | Confident | 68 Ų | 68 | 39.5 Ų | 39.5 | 26% | 0.257 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -58.7 | -41.1 | 177.4 | -168.4 | 171.9 | -177.9 | -144.3 | -3.4 | 112.4 | D1607 D1699 M1700 I1701 R1707 | D1607-R1703 IonicContact OD2-CZ 3.33Å; D1607-R1703 IonicContact OD2-NH1 3.87Å; D1607-R1703 PolarHBondContact OD2-NH1 3.34Å; D1607-R1703 IonicContact OD2-NH2 3.75Å; D1699-R1703 WeakPolarHBondContact O-CB 3.48Å; D1699-R1703 PolarHBondContact O-N 3.45Å; M1700-R1703 PolarHBondContact O-N 3.37Å; I1701-R1703 PolarHBondContact O-N 3.16Å; R1703-R1707 WeakPolarHBondContact O-CG 3.24Å; R1703-R1707 PolarHBondContact O-N 2.97Å |
| 1704 | Y | 84.3 | Confident | 83.1 | Confident | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.008 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -76.7 | -31.4 | 177 | -80.2 | -71.6 | 0 | 0 | 0 | 113.5 | D1607 F1685 L1688 Y1692 M1700 I1701 L1702 R1707 L1708 | D1607-Y1704 PolarHBondContact OD1-OH 2.9Å; F1685-Y1704 AromaticContact CD1-CD1 3.53Å; F1685-Y1704 HydrophobicContact CD1-CD1 3.53Å; F1685-Y1704 AromaticContact CD1-CE1 3.89Å; F1685-Y1704 HydrophobicContact CD1-CE1 3.89Å; F1685-Y1704 AromaticContact CE1-CD1 3.84Å; F1685-Y1704 HydrophobicContact CE1-CD1 3.84Å; F1685-Y1704 AromaticContact CE1-CE1 3.9Å; F1685-Y1704 HydrophobicContact CE1-CE1 3.9Å; F1685-Y1704 HydrophobicContact CG-CD1 4.3Å; L1688-Y1704 HydrophobicContact CB-CD1 4.49Å; L1688-Y1704 HydrophobicContact CB-CD2 4.46Å; L1688-Y1704 HydrophobicContact CB-CG 4.46Å; L1688-Y1704 HydrophobicContact CD1-CD1 4.16Å; L1688-Y1704 HydrophobicContact CD1-CE1 3.53Å; L1688-Y1704 HydrophobicContact CD1-CE2 4.47Å; Y1692-Y1704 AromaticContact CD2-CD2 3.88Å; Y1692-Y1704 HydrophobicContact CD2-CD2 3.88Å; Y1692-Y1704 HydrophobicContact CD2-CE2 4.06Å; Y1692-Y1704 AromaticContact CE2-CD2 3.68Å; Y1692-Y1704 HydrophobicContact CE2-CD2 3.68Å; Y1692-Y1704 AromaticContact CE2-CE2 3.35Å; Y1692-Y1704 HydrophobicContact CE2-CE2 3.35Å; M1700-Y1704 VanDerWaalsContact O-CD2 3.23Å; M1700-Y1704 WeakPolarHBondContact O-CD2 3.37Å; M1700-Y1704 PolarHBondContact O-N 3Å; I1701-Y1704 PolarHBondContact O-N 3.37Å; L1702-Y1704 VanDerWaalsContact C-N 3.32Å; L1702-Y1704 PolarHBondContact O-N 3Å; Y1704-R1707 PolarHBondContact O-N 3.32Å; Y1704-L1708 WeakPolarHBondContact O-CB 3.05Å; Y1704-L1708 PolarHBondContact O-N 3.39Å |
| 1705 | L | 88.4 | Confident | 83.1 | Confident | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.6 | -41.9 | 172.2 | -74.5 | 172.8 | 0 | 0 | 0 | 112.2 | I1701 L1702 R1707 L1708 D1709 T1724 L1727 I1728 | I1701-L1705 HydrophobicContact CG2-CD1 3.83Å; I1701-L1705 HydrophobicContact CG2-CG 4.33Å; I1701-L1705 WeakPolarHBondContact O-CG 3.01Å; I1701-L1705 PolarHBondContact O-N 3.12Å; L1702-L1705 PolarHBondContact O-N 3.41Å; L1705-R1707 VanDerWaalsContact C-N 3.31Å; L1705-R1707 PolarHBondContact O-N 3.3Å; L1705-L1708 WeakPolarHBondContact O-CB 3.38Å; L1705-L1708 PolarHBondContact O-N 2.79Å; L1705-L1708 VanDerWaalsContact O-N 3.16Å; L1705-D1709 PolarHBondContact O-N 3.5Å; L1705-T1724 HydrophobicContact CD2-CG2 4.28Å; L1705-L1727 HydrophobicContact CD1-CD2 4.21Å; L1705-L1727 HydrophobicContact CD1-CG 4.26Å; L1705-L1727 HydrophobicContact CD2-CD2 3.66Å; L1705-L1727 HydrophobicContact CD2-CG 4.46Å; L1705-I1728 HydrophobicContact CB-CD1 3.92Å; L1705-I1728 HydrophobicContact CB-CG1 3.56Å; L1705-I1728 HydrophobicContact CD1-CG1 3.94Å; L1705-I1728 HydrophobicContact CG-CG1 4.28Å |
| 1706 | Y | 88.5 | Confident | 83.3 | Confident | 5 Ų | 5 | 42.4 Ų | 42.4 | 2% | 0.02 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.6 | -31.4 | 174 | -78.3 | -57.9 | 0 | 0 | 0 | 112.8 | L1702 R1710 I1728 Y1732 D1743 Y1748 L1763 | L1702-Y1706 HydrophobicContact CD1-CD2 4.3Å; L1702-Y1706 HydrophobicContact CD1-CE2 3.74Å; L1702-Y1706 HydrophobicContact CD2-CE2 4.01Å; L1702-Y1706 HydrophobicContact CG-CD2 3.92Å; L1702-Y1706 HydrophobicContact CG-CE2 3.59Å; L1702-Y1706 WeakPolarHBondContact O-CD2 3.48Å; L1702-Y1706 PolarHBondContact O-N 3.41Å; Y1706-R1710 WeakPolarHBondContact O-CG 3.46Å; Y1706-R1710 PolarHBondContact O-N 2.84Å; Y1706-I1728 HydrophobicContact CD1-CD1 3.95Å; Y1706-I1728 HydrophobicContact CE1-CD1 4.07Å; Y1706-I1728 HydrophobicContact CE1-CG2 3.95Å; Y1706-I1728 HydrophobicContact CE2-CG2 4.35Å; Y1706-I1728 HydrophobicContact CG-CD1 4.48Å; Y1706-Y1732 PolarHBondContact OH-OH 3.47Å; Y1706-Y1732 VanDerWaalsContact OH-OH 3.1Å; Y1706-D1743 VanDerWaalsContact CD2-O 3.23Å; Y1706-D1743 WeakPolarHBondContact CD2-O 3.23Å; Y1706-D1743 WeakPolarHBondContact CE2-O 3.5Å; Y1706-Y1748 AromaticContact CE1-CD2 3.82Å; Y1706-Y1748 HydrophobicContact CE1-CD2 3.82Å; Y1706-Y1748 HydrophobicContact CE1-CE2 4.27Å; Y1706-L1763 HydrophobicContact CE1-CD2 4.49Å |
| 1707 | R | 84.9 | Confident | 83.8 | Confident | 44 Ų | 44 | 38.3 Ų | 38.3 | 17% | 0.166 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.9 | -39.6 | 170.2 | -71.2 | -175.4 | -165.4 | 179.2 | 14.1 | 111.4 | D1607 F1685 R1703 Y1704 L1705 R1710 L1711 | D1607-R1707 IonicContact OD2-NH2 3.63Å; F1685-R1707 HydrophobicContact CD2-CB 4.31Å; F1685-R1707 HydrophobicContact CE1-CB 4.44Å; F1685-R1707 HydrophobicContact CE2-CB 3.73Å; F1685-R1707 HydrophobicContact CZ-CB 3.84Å; R1703-R1707 WeakPolarHBondContact O-CG 3.24Å; R1703-R1707 PolarHBondContact O-N 2.97Å; Y1704-R1707 PolarHBondContact O-N 3.32Å; L1705-R1707 VanDerWaalsContact C-N 3.31Å; L1705-R1707 PolarHBondContact O-N 3.3Å; R1707-R1710 PolarHBondContact O-N 3.34Å; R1707-L1711 PolarHBondContact O-N 3.38Å; R1707-L1711 VanDerWaalsContact O-N 3.11Å |
| 1708 | L | 87.6 | Confident | 84.3 | Confident | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.016 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.3 | -43.9 | 176.5 | -175.6 | 61.9 | 0 | 0 | 0 | 111.9 | M1682 F1685 Y1704 L1705 R1710 L1711 H1712 T1724 I1961 I1962 | M1682-L1708 HydrophobicContact CB-CD1 4.32Å; M1682-L1708 HydrophobicContact CE-CD1 4.5Å; M1682-L1708 HydrophobicContact CG-CD1 4.06Å; F1685-L1708 HydrophobicContact CD2-CB 4.31Å; F1685-L1708 HydrophobicContact CD2-CD1 4.36Å; Y1704-L1708 WeakPolarHBondContact O-CB 3.05Å; Y1704-L1708 PolarHBondContact O-N 3.39Å; L1705-L1708 WeakPolarHBondContact O-CB 3.38Å; L1705-L1708 PolarHBondContact O-N 2.79Å; L1705-L1708 VanDerWaalsContact O-N 3.16Å; L1708-R1710 VanDerWaalsContact C-N 3.29Å; L1708-R1710 PolarHBondContact O-N 2.68Å; L1708-L1711 WeakPolarHBondContact O-CB 3.4Å; L1708-L1711 PolarHBondContact O-N 3.12Å; L1708-H1712 WeakPolarHBondContact CD1-NE2 3.48Å; L1708-H1712 WeakPolarHBondContact CG-NE2 3.23Å; L1708-H1712 PolarHBondContact O-CD2 2.59Å; L1708-H1712 PolarHBondContact O-N 3.43Å; L1708-T1724 HydrophobicContact CB-CG2 4.39Å; L1708-T1724 HydrophobicContact CD2-CG2 4.24Å; L1708-T1724 HydrophobicContact CG-CG2 4.31Å; L1708-I1961 HydrophobicContact CD2-CD1 4.14Å; L1708-I1962 HydrophobicContact CD1-CG2 4.14Å; L1708-I1962 HydrophobicContact CD2-CG2 4.15Å |
| 1709 | D | 88.5 | Confident | 84.9 | Confident | 6 Ų | 6 | 35.1 Ų | 35.1 | 3% | 0.032 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -53.5 | -45.6 | 172.9 | 169.3 | 55.5 | 0 | 0 | 0 | 111.6 | L1705 L1711 H1712 A1713 R1721 T1724 I1728 | L1705-D1709 PolarHBondContact O-N 3.5Å; D1709-L1711 VanDerWaalsContact C-N 3.35Å; D1709-L1711 PolarHBondContact O-N 3.43Å; D1709-H1712 PolarHBondContact O-N 2.86Å; D1709-H1712 VanDerWaalsContact O-N 3.16Å; D1709-A1713 PolarHBondContact O-N 2.82Å; D1709-R1721 WeakPolarHBondContact OD1-CG 3.18Å; D1709-R1721 IonicContact OD1-CZ 3.95Å; D1709-R1721 IonicContact OD1-NE 2.73Å; D1709-R1721 PolarHBondContact OD1-NE 2.85Å; D1709-R1721 IonicContact OD1-NH2 2.65Å; D1709-T1724 HydrophobicContact CB-CG2 4.32Å; D1709-I1728 HydrophobicContact CB-CD1 4.47Å |
| 1710 | R | 84.3 | Confident | 85.8 | Confident | 99 Ų | 99 | 33.1 Ų | 33.1 | 37% | 0.374 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -62.1 | -39.4 | 176.1 | -70.2 | 175.5 | -172.1 | 175 | 5.3 | 112.7 | W1385 Y1706 R1707 L1708 A1713 A1714 S1745 | W1385-R1710 HydrophobicContact CH2-CG 4.28Å; Y1706-R1710 WeakPolarHBondContact O-CG 3.46Å; Y1706-R1710 PolarHBondContact O-N 2.84Å; R1707-R1710 PolarHBondContact O-N 3.34Å; L1708-R1710 VanDerWaalsContact C-N 3.29Å; L1708-R1710 PolarHBondContact O-N 2.68Å; R1710-A1713 PolarHBondContact O-N 3.09Å; R1710-A1714 PolarHBondContact O-N 3.15Å; R1710-S1745 PolarHBondContact NH2-OG 3.19Å |
| 1711 | L | 83.4 | Confident | 86.5 | Confident | 18 Ų | 18 | 34.8 Ų | 34.8 | 9% | 0.094 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.8 | -43 | 173.4 | -72.2 | -179.2 | 0 | 0 | 0 | 111.4 | E1681 M1682 F1685 R1707 L1708 D1709 A1713 A1714 Y1715 | E1681-L1711 HydrophobicContact CB-CD1 4.29Å; E1681-L1711 HydrophobicContact CG-CD1 3.92Å; E1681-L1711 WeakPolarHBondContact OE2-CD2 2.9Å; M1682-L1711 HydrophobicContact CE-CB 3.91Å; M1682-L1711 HydrophobicContact CG-CD1 3.96Å; F1685-L1711 HydrophobicContact CD2-CD1 3.55Å; F1685-L1711 HydrophobicContact CE2-CD1 3.27Å; F1685-L1711 HydrophobicContact CE2-CG 3.94Å; F1685-L1711 HydrophobicContact CZ-CD1 4.37Å; R1707-L1711 PolarHBondContact O-N 3.38Å; R1707-L1711 VanDerWaalsContact O-N 3.11Å; L1708-L1711 WeakPolarHBondContact O-CB 3.4Å; L1708-L1711 PolarHBondContact O-N 3.12Å; D1709-L1711 VanDerWaalsContact C-N 3.35Å; D1709-L1711 PolarHBondContact O-N 3.43Å; L1711-A1713 VanDerWaalsContact C-N 3.3Å; L1711-A1713 PolarHBondContact O-N 3.21Å; L1711-A1714 PolarHBondContact O-N 3.33Å; L1711-Y1715 HydrophobicContact CD2-CE2 3.99Å; L1711-Y1715 WeakPolarHBondContact O-CD2 3.3Å; L1711-Y1715 PolarHBondContact O-N 2.87Å; L1711-Y1715 VanDerWaalsContact O-N 3.09Å |
| 1712 | H | 89.3 | Confident | 87 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.8 | -36.3 | 176.8 | -69.8 | -68.5 | 0 | 0 | 0 | 112.9 | M1682 L1708 D1709 S1716 N1717 E1720 R1721 I1961 | M1682-H1712 WeakPolarHBondContact CE-CE1 3.43Å; M1682-H1712 WeakPolarHBondContact CE-ND1 3.24Å; L1708-H1712 WeakPolarHBondContact CD1-NE2 3.48Å; L1708-H1712 WeakPolarHBondContact CG-NE2 3.23Å; L1708-H1712 PolarHBondContact O-CD2 2.59Å; L1708-H1712 PolarHBondContact O-N 3.43Å; D1709-H1712 PolarHBondContact O-N 2.86Å; D1709-H1712 VanDerWaalsContact O-N 3.16Å; H1712-S1716 PolarHBondContact O-N 2.86Å; H1712-S1716 VanDerWaalsContact O-N 3.07Å; H1712-N1717 HydrophobicContact CB-CB 4.21Å; H1712-N1717 WeakPolarHBondContact ND1-CB 3.25Å; H1712-N1717 PolarHBondContact O-N 3.34Å; H1712-E1720 VanDerWaalsContact CE1-CB 3.42Å; H1712-E1720 WeakPolarHBondContact CE1-CB 3.45Å; H1712-R1721 HydrophobicContact CB-CB 3.68Å; H1712-R1721 HydrophobicContact CB-CG 3.96Å; H1712-I1961 PolarHBondContact CE1-O 3.02Å; H1712-I1961 PolarHBondContact NE2-O 3.36Å |
| 1713 | A | 85.9 | Confident | 87.5 | Confident | 45 Ų | 45 | 33.8 Ų | 33.8 | 37% | 0.372 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -61.2 | -49.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | D1709 R1710 L1711 Y1715 S1716 | D1709-A1713 PolarHBondContact O-N 2.82Å; R1710-A1713 PolarHBondContact O-N 3.09Å; L1711-A1713 VanDerWaalsContact C-N 3.3Å; L1711-A1713 PolarHBondContact O-N 3.21Å; A1713-Y1715 VanDerWaalsContact C-N 3.28Å; A1713-Y1715 PolarHBondContact O-N 2.98Å; A1713-S1716 PolarHBondContact O-N 3.48Å |
| 1714 | A | 81.6 | Confident | 88.1 | Confident | 76 Ų | 76 | 30.6 Ų | 30.6 | 63% | 0.628 | 16% | 0.164 | S | C | * | . | H | α-helix | trans | -61 | -34.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | R1710 L1711 | R1710-A1714 PolarHBondContact O-N 3.15Å; L1711-A1714 PolarHBondContact O-N 3.33Å |
| 1715 | Y | 78.6 | Confident | 88.6 | Confident | 72 Ų | 72 | 30.5 Ų | 30.5 | 28% | 0.282 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101 | 9.6 | -178 | -60.5 | -59.7 | 0 | 0 | 0 | 114.4 | Q1678 M1682 L1711 A1713 N1717 | Q1678-Y1715 HydrophobicContact CB-CE1 4.42Å; Q1678-Y1715 HydrophobicContact CB-CE2 3.98Å; Q1678-Y1715 HydrophobicContact CG-CE1 3.81Å; Q1678-Y1715 HydrophobicContact CG-CE2 4.11Å; Q1678-Y1715 VanDerWaalsContact CG-CZ 3.47Å; Q1678-Y1715 VanDerWaalsContact CG-OH 3.28Å; Q1678-Y1715 WeakPolarHBondContact CG-OH 3.26Å; M1682-Y1715 HydrophobicContact CE-CD2 4.43Å; L1711-Y1715 HydrophobicContact CD2-CE2 3.99Å; L1711-Y1715 WeakPolarHBondContact O-CD2 3.3Å; L1711-Y1715 PolarHBondContact O-N 2.87Å; L1711-Y1715 VanDerWaalsContact O-N 3.09Å; A1713-Y1715 VanDerWaalsContact C-N 3.28Å; A1713-Y1715 PolarHBondContact O-N 2.98Å; Y1715-N1717 PolarHBondContact O-N 2.96Å; Y1715-N1717 VanDerWaalsContact O-N 3.16Å |
| 1716 | S | 81.6 | Confident | 88.9 | Confident | 92 Ų | 92 | 31.4 Ų | 31.4 | 64% | 0.643 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 26.6 | 179.9 | 69.3 | 0 | 0 | 0 | 0 | 115 | H1712 A1713 K1718 | H1712-S1716 PolarHBondContact O-N 2.86Å; H1712-S1716 VanDerWaalsContact O-N 3.07Å; A1713-S1716 PolarHBondContact O-N 3.48Å; S1716-K1718 VanDerWaalsContact C-N 3.25Å; S1716-K1718 PolarHBondContact O-N 3.11Å |
| 1717 | N | 88.1 | Confident | 89.1 | Confident | 38 Ų | 38 | 32.7 Ų | 32.7 | 20% | 0.203 | 18% | 0.175 | C | C | . | . | trans | -79.5 | 70.8 | 177.3 | -71.2 | -28.9 | 0 | 0 | 0 | 110.5 | H1712 Y1715 T1719 E1720 R1721 | H1712-N1717 HydrophobicContact CB-CB 4.21Å; H1712-N1717 WeakPolarHBondContact ND1-CB 3.25Å; H1712-N1717 PolarHBondContact O-N 3.34Å; Y1715-N1717 PolarHBondContact O-N 2.96Å; Y1715-N1717 VanDerWaalsContact O-N 3.16Å; N1717-T1719 PolarHBondContact O-N 3.33Å; N1717-E1720 HydrophobicContact CB-CB 4.42Å; N1717-R1721 WeakPolarHBondContact O-CB 3.44Å; N1717-R1721 PolarHBondContact O-N 2.94Å | ||
| 1718 | K | 91 | Very high | 89.4 | Confident | 82 Ų | 82 | 30.6 Ų | 30.6 | 36% | 0.357 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -63 | -41.2 | -168.5 | -58.1 | -170 | -178.5 | -168.4 | 0 | 113.7 | S1716 R1721 G1722 Q1773 | S1716-K1718 VanDerWaalsContact C-N 3.25Å; S1716-K1718 PolarHBondContact O-N 3.11Å; K1718-R1721 WeakPolarHBondContact O-CB 2.99Å; K1718-G1722 PolarHBondContact O-N 3.33Å; K1718-G1722 VanDerWaalsContact O-N 3.09Å; K1718-Q1773 HydrophobicContact CD-CB 3.65Å |
| 1719 | T | 91.5 | Very high | 89.6 | Confident | 3 Ų | 3 | 30.5 Ų | 30.5 | 2% | 0.018 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.3 | -55 | 179.9 | -53.8 | 0 | 0 | 0 | 0 | 110.3 | N1717 R1721 G1722 Y1723 L1771 G1774 D1776 P1959 | N1717-T1719 PolarHBondContact O-N 3.33Å; T1719-R1721 VanDerWaalsContact C-N 3.27Å; T1719-R1721 PolarHBondContact O-N 3.43Å; T1719-G1722 WeakPolarHBondContact O-CA 3.28Å; T1719-G1722 PolarHBondContact O-N 3.36Å; T1719-Y1723 HydrophobicContact CG2-CD2 4.05Å; T1719-Y1723 HydrophobicContact CG2-CE2 3.7Å; T1719-Y1723 VanDerWaalsContact O-CD2 3.26Å; T1719-Y1723 WeakPolarHBondContact O-CD2 2.98Å; T1719-Y1723 PolarHBondContact O-N 3.11Å; T1719-Y1723 VanDerWaalsContact O-N 3.16Å; T1719-L1771 HydrophobicContact CG2-CD2 4.32Å; T1719-G1774 PolarHBondContact OG1-O 3.43Å; T1719-D1776 HydrophobicContact CG2-CB 4.07Å; T1719-P1959 HydrophobicContact CG2-CB 3.85Å; T1719-P1959 HydrophobicContact CG2-CG 3.97Å |
| 1720 | E | 93.5 | Very high | 89.7 | Confident | 6 Ų | 6 | 34.8 Ų | 34.8 | 3% | 0.028 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.5 | -33.8 | -178.6 | -64.9 | 68.4 | -156.8 | 0 | 0 | 112 | H1712 N1717 Y1723 T1724 R1851 N1960 P1963 | H1712-E1720 VanDerWaalsContact CE1-CB 3.42Å; H1712-E1720 WeakPolarHBondContact CE1-CB 3.45Å; N1717-E1720 HydrophobicContact CB-CB 4.42Å; E1720-Y1723 PolarHBondContact O-N 3.26Å; E1720-T1724 WeakPolarHBondContact O-CB 3.04Å; E1720-T1724 PolarHBondContact O-N 2.92Å; E1720-T1724 PolarHBondContact O-OG1 2.78Å; E1720-R1851 IonicContact OE1-CZ 3.25Å; E1720-R1851 IonicContact OE1-NH1 3.36Å; E1720-R1851 PolarHBondContact OE1-NH1 3.06Å; E1720-N1960 WeakPolarHBondContact CG-O 3.31Å; E1720-P1963 HydrophobicContact CG-CB 4.12Å |
| 1721 | R | 94.3 | Very high | 89.9 | Confident | 40 Ų | 40 | 33.3 Ų | 33.3 | 15% | 0.151 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.6 | -46 | 170.2 | -163.8 | 175.8 | 178.1 | -167.3 | -11.5 | 112.1 | D1709 H1712 N1717 K1718 T1719 Y1723 T1724 L1725 Y1770 | D1709-R1721 WeakPolarHBondContact OD1-CG 3.18Å; D1709-R1721 IonicContact OD1-CZ 3.95Å; D1709-R1721 IonicContact OD1-NE 2.73Å; D1709-R1721 PolarHBondContact OD1-NE 2.85Å; D1709-R1721 IonicContact OD1-NH2 2.65Å; H1712-R1721 HydrophobicContact CB-CB 3.68Å; H1712-R1721 HydrophobicContact CB-CG 3.96Å; N1717-R1721 WeakPolarHBondContact O-CB 3.44Å; N1717-R1721 PolarHBondContact O-N 2.94Å; K1718-R1721 WeakPolarHBondContact O-CB 2.99Å; T1719-R1721 VanDerWaalsContact C-N 3.27Å; T1719-R1721 PolarHBondContact O-N 3.43Å; R1721-Y1723 PolarHBondContact O-N 2.87Å; R1721-T1724 WeakPolarHBondContact O-CB 3.42Å; R1721-T1724 PolarHBondContact O-N 3.48Å; R1721-T1724 VanDerWaalsContact O-N 3.14Å; R1721-L1725 HydrophobicContact CG-CD1 4.34Å; R1721-L1725 WeakPolarHBondContact O-CG 2.85Å; R1721-L1725 PolarHBondContact O-N 3.37Å; R1721-Y1770 HydrophobicContact CG-CD2 4.32Å; R1721-Y1770 VanDerWaalsContact CZ-CE2 3.49Å; R1721-Y1770 PolarHBondContact NH1-OH 3.16Å; R1721-Y1770 PolarHBondContact NH2-OH 2.93Å |
| 1722 | G | 95 | Very high | 90.2 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58 | -46.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | K1718 T1719 T1724 L1725 E1726 S1767 | K1718-G1722 PolarHBondContact O-N 3.33Å; K1718-G1722 VanDerWaalsContact O-N 3.09Å; T1719-G1722 WeakPolarHBondContact O-CA 3.28Å; T1719-G1722 PolarHBondContact O-N 3.36Å; G1722-T1724 VanDerWaalsContact C-N 3.34Å; G1722-T1724 PolarHBondContact O-N 3Å; G1722-L1725 PolarHBondContact O-N 3.38Å; G1722-E1726 PolarHBondContact O-N 3.45Å; G1722-S1767 PolarHBondContact O-OG 3.33Å |
| 1723 | Y | 95.1 | Very high | 90.1 | Very high | 9 Ų | 9 | 35.5 Ų | 35.5 | 4% | 0.035 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.9 | -40 | 173.5 | -77.8 | -84.7 | 0 | 0 | 0 | 112.2 | T1719 E1720 R1721 E1726 L1727 L1771 D1776 H1779 R1923 P1959 | T1719-Y1723 HydrophobicContact CG2-CD2 4.05Å; T1719-Y1723 HydrophobicContact CG2-CE2 3.7Å; T1719-Y1723 VanDerWaalsContact O-CD2 3.26Å; T1719-Y1723 WeakPolarHBondContact O-CD2 2.98Å; T1719-Y1723 PolarHBondContact O-N 3.11Å; T1719-Y1723 VanDerWaalsContact O-N 3.16Å; E1720-Y1723 PolarHBondContact O-N 3.26Å; R1721-Y1723 PolarHBondContact O-N 2.87Å; Y1723-E1726 PolarHBondContact O-N 3.2Å; Y1723-L1727 WeakPolarHBondContact O-CB 3.45Å; Y1723-L1727 PolarHBondContact O-N 2.81Å; Y1723-L1771 HydrophobicContact CD2-CD2 4.03Å; Y1723-L1771 HydrophobicContact CE2-CD2 3.83Å; Y1723-D1776 WeakPolarHBondContact CE2-OD2 3.4Å; Y1723-D1776 PolarHBondContact OH-OD2 2.96Å; Y1723-H1779 AromaticContact CD1-CD2 3.86Å; Y1723-H1779 AromaticContact CD1-NE2 3.64Å; Y1723-H1779 AromaticContact CE1-CD2 3.22Å; Y1723-H1779 WeakPolarHBondContact CE1-CD2 3.47Å; Y1723-H1779 AromaticContact CE1-NE2 3.23Å; Y1723-H1779 WeakPolarHBondContact CE1-NE2 3.46Å; Y1723-H1779 AromaticContact CE2-CD2 3.93Å; Y1723-H1779 AromaticContact CZ-CD2 3.23Å; Y1723-H1779 AromaticContact CZ-CG 3.91Å; Y1723-H1779 AromaticContact CZ-NE2 3.79Å; Y1723-H1779 PolarHBondContact OH-CD2 3.29Å; Y1723-R1923 VanDerWaalsContact OH-CZ 3.25Å; Y1723-R1923 PolarHBondContact OH-NH2 3.22Å; Y1723-P1959 HydrophobicContact CE2-CB 3.94Å; Y1723-P1959 HydrophobicContact CE2-CG 3.81Å |
| 1724 | T | 94.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.4 | -43.9 | 178.8 | -57.8 | 0 | 0 | 0 | 0 | 111.4 | L1705 L1708 D1709 E1720 R1721 G1722 L1727 I1728 I1961 | L1705-T1724 HydrophobicContact CD2-CG2 4.28Å; L1708-T1724 HydrophobicContact CB-CG2 4.39Å; L1708-T1724 HydrophobicContact CD2-CG2 4.24Å; L1708-T1724 HydrophobicContact CG-CG2 4.31Å; D1709-T1724 HydrophobicContact CB-CG2 4.32Å; E1720-T1724 WeakPolarHBondContact O-CB 3.04Å; E1720-T1724 PolarHBondContact O-N 2.92Å; E1720-T1724 PolarHBondContact O-OG1 2.78Å; R1721-T1724 WeakPolarHBondContact O-CB 3.42Å; R1721-T1724 PolarHBondContact O-N 3.48Å; R1721-T1724 VanDerWaalsContact O-N 3.14Å; G1722-T1724 VanDerWaalsContact C-N 3.34Å; G1722-T1724 PolarHBondContact O-N 3Å; T1724-L1727 PolarHBondContact O-N 2.97Å; T1724-I1728 HydrophobicContact CG2-CD1 4.13Å; T1724-I1728 VanDerWaalsContact O-CG1 3.26Å; T1724-I1728 WeakPolarHBondContact O-CG1 3.36Å; T1724-I1728 PolarHBondContact O-N 3.29Å; T1724-I1961 PolarHBondContact OG1-O 3.4Å |
| 1725 | L | 94.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.8 | -36.8 | 177.2 | -69.9 | 171.7 | 0 | 0 | 0 | 112.7 | R1721 G1722 I1728 S1729 Y1748 L1763 D1766 Y1770 | R1721-L1725 HydrophobicContact CG-CD1 4.34Å; R1721-L1725 WeakPolarHBondContact O-CG 2.85Å; R1721-L1725 PolarHBondContact O-N 3.37Å; G1722-L1725 PolarHBondContact O-N 3.38Å; L1725-I1728 HydrophobicContact CD2-CD1 4.22Å; L1725-I1728 PolarHBondContact O-N 3.43Å; L1725-S1729 WeakPolarHBondContact O-CB 3.47Å; L1725-S1729 PolarHBondContact O-N 3.23Å; L1725-Y1748 HydrophobicContact CD2-CE2 4.2Å; L1725-L1763 HydrophobicContact CD2-CD2 3.92Å; L1725-D1766 HydrophobicContact CD1-CB 4.06Å; L1725-Y1770 HydrophobicContact CD1-CD2 3.59Å; L1725-Y1770 HydrophobicContact CD1-CE2 3.79Å |
| 1726 | E | 95.6 | Very high | 90.7 | Very high | 22 Ų | 22 | 38.6 Ų | 38.6 | 10% | 0.103 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59 | -49.7 | 171.6 | -179.5 | -169.9 | -153.9 | 0 | 0 | 110.2 | G1722 Y1723 I1728 S1729 E1730 H1779 I1783 K1786 | G1722-E1726 PolarHBondContact O-N 3.45Å; Y1723-E1726 PolarHBondContact O-N 3.2Å; E1726-I1728 VanDerWaalsContact C-N 3.31Å; E1726-I1728 PolarHBondContact O-N 3.25Å; E1726-S1729 WeakPolarHBondContact O-CA 3.4Å; E1726-S1729 WeakPolarHBondContact O-CB 3.26Å; E1726-S1729 PolarHBondContact O-N 2.92Å; E1726-S1729 PolarHBondContact O-OG 3.31Å; E1726-E1730 PolarHBondContact O-N 3.35Å; E1726-H1779 IonicContact OE1-CE1 2.65Å; E1726-H1779 IonicContact OE1-NE2 2.87Å; E1726-H1779 IonicContact OE2-CE1 2.97Å; E1726-H1779 IonicContact OE2-NE2 2.73Å; E1726-H1779 PolarHBondContact OE2-NE2 2.99Å; E1726-I1783 HydrophobicContact CB-CD1 4.07Å; E1726-I1783 VanDerWaalsContact CD-CD1 3.42Å; E1726-I1783 HydrophobicContact CG-CD1 3.6Å; E1726-I1783 VanDerWaalsContact OE1-CD1 3.23Å; E1726-I1783 WeakPolarHBondContact OE1-CD1 3.11Å; E1726-K1786 IonicContact OE1-NZ 3Å; E1726-K1786 PolarHBondContact OE1-NZ 3.06Å |
| 1727 | L | 91.6 | Very high | 90.8 | Very high | 32 Ų | 32 | 38.2 Ų | 38.2 | 17% | 0.168 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62 | -37.9 | 178.5 | -178.8 | 68 | 0 | 0 | 0 | 112.3 | L1705 Y1723 T1724 S1729 E1730 N1731 I1961 | L1705-L1727 HydrophobicContact CD1-CD2 4.21Å; L1705-L1727 HydrophobicContact CD1-CG 4.26Å; L1705-L1727 HydrophobicContact CD2-CD2 3.66Å; L1705-L1727 HydrophobicContact CD2-CG 4.46Å; Y1723-L1727 WeakPolarHBondContact O-CB 3.45Å; Y1723-L1727 PolarHBondContact O-N 2.81Å; T1724-L1727 PolarHBondContact O-N 2.97Å; L1727-S1729 VanDerWaalsContact C-N 3.32Å; L1727-E1730 PolarHBondContact O-N 3.18Å; L1727-N1731 PolarHBondContact O-ND2 2.82Å; L1727-I1961 HydrophobicContact CB-CG2 4.4Å; L1727-I1961 HydrophobicContact CD2-CD1 4.34Å; L1727-I1961 HydrophobicContact CD2-CG2 3.92Å |
| 1728 | I | 91.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.4 | -45.1 | 172.2 | -70.3 | 164.5 | 0 | 0 | 0 | 110 | L1702 L1705 Y1706 D1709 T1724 L1725 E1726 E1730 N1731 Y1732 L1763 | L1702-I1728 HydrophobicContact CD1-CG2 3.87Å; L1705-I1728 HydrophobicContact CB-CD1 3.92Å; L1705-I1728 HydrophobicContact CB-CG1 3.56Å; L1705-I1728 HydrophobicContact CD1-CG1 3.94Å; L1705-I1728 HydrophobicContact CG-CG1 4.28Å; Y1706-I1728 HydrophobicContact CD1-CD1 3.95Å; Y1706-I1728 HydrophobicContact CE1-CD1 4.07Å; Y1706-I1728 HydrophobicContact CE1-CG2 3.95Å; Y1706-I1728 HydrophobicContact CE2-CG2 4.35Å; Y1706-I1728 HydrophobicContact CG-CD1 4.48Å; D1709-I1728 HydrophobicContact CB-CD1 4.47Å; T1724-I1728 HydrophobicContact CG2-CD1 4.13Å; T1724-I1728 VanDerWaalsContact O-CG1 3.26Å; T1724-I1728 WeakPolarHBondContact O-CG1 3.36Å; T1724-I1728 PolarHBondContact O-N 3.29Å; L1725-I1728 HydrophobicContact CD2-CD1 4.22Å; L1725-I1728 PolarHBondContact O-N 3.43Å; E1726-I1728 VanDerWaalsContact C-N 3.31Å; E1726-I1728 PolarHBondContact O-N 3.25Å; I1728-E1730 PolarHBondContact O-N 3.33Å; I1728-N1731 WeakPolarHBondContact O-CB 3.41Å; I1728-N1731 PolarHBondContact O-N 2.79Å; I1728-N1731 VanDerWaalsContact O-N 3.14Å; I1728-N1731 PolarHBondContact O-ND2 2.9Å; I1728-Y1732 HydrophobicContact CG2-CE2 3.96Å; I1728-L1763 HydrophobicContact CG2-CD1 3.83Å; I1728-L1763 HydrophobicContact CG2-CD2 4.15Å |
| 1729 | S | 93 | Very high | 89.9 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.1 | -28.8 | -178.8 | 85.2 | 0 | 0 | 0 | 0 | 113.1 | L1725 E1726 L1727 N1731 Y1732 R1760 L1764 | L1725-S1729 WeakPolarHBondContact O-CB 3.47Å; L1725-S1729 PolarHBondContact O-N 3.23Å; E1726-S1729 WeakPolarHBondContact O-CA 3.4Å; E1726-S1729 WeakPolarHBondContact O-CB 3.26Å; E1726-S1729 PolarHBondContact O-N 2.92Å; E1726-S1729 PolarHBondContact O-OG 3.31Å; L1727-S1729 VanDerWaalsContact C-N 3.32Å; S1729-N1731 PolarHBondContact O-N 3.43Å; S1729-Y1732 PolarHBondContact O-N 3.36Å; S1729-R1760 WeakPolarHBondContact O-CD 3.46Å; S1729-R1760 PolarHBondContact O-NH1 2.86Å; S1729-L1764 WeakPolarHBondContact OG-CD2 3.48Å |
| 1730 | E | 90.2 | Very high | 89 | Confident | 97 Ų | 97 | 43.5 Ų | 43.5 | 45% | 0.453 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -19.8 | -180 | -69.6 | -178.1 | 168 | 0 | 0 | 113.4 | E1726 L1727 I1728 Y1732 K1786 | E1726-E1730 PolarHBondContact O-N 3.35Å; L1727-E1730 PolarHBondContact O-N 3.18Å; I1728-E1730 PolarHBondContact O-N 3.33Å; E1730-Y1732 VanDerWaalsContact C-N 3.32Å; E1730-Y1732 PolarHBondContact O-N 2.83Å; E1730-K1786 IonicContact OE1-NZ 3.62Å; E1730-K1786 PolarHBondContact OE1-NZ 3.36Å |
| 1731 | N | 87.2 | Confident | 88.2 | Confident | 67 Ų | 67 | 44.5 Ų | 44.5 | 36% | 0.358 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -11.2 | 177.8 | -66.1 | -66.6 | 0 | 0 | 0 | 114.3 | L1727 I1728 S1729 | L1727-N1731 PolarHBondContact O-ND2 2.82Å; I1728-N1731 WeakPolarHBondContact O-CB 3.41Å; I1728-N1731 PolarHBondContact O-N 2.79Å; I1728-N1731 VanDerWaalsContact O-N 3.14Å; I1728-N1731 PolarHBondContact O-ND2 2.9Å; S1729-N1731 PolarHBondContact O-N 3.43Å |
| 1732 | Y | 90 | Very high | 87 | Confident | 17 Ų | 17 | 49.5 Ų | 49.5 | 7% | 0.067 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -106.3 | 147 | -177.9 | -60.2 | -65.7 | 0 | 0 | 0 | 111.2 | L1702 Y1706 I1728 S1729 E1730 V1739 L1759 R1760 L1763 | L1702-Y1732 HydrophobicContact CD1-CE2 4.27Å; L1702-Y1732 VanDerWaalsContact CD2-OH 3.24Å; L1702-Y1732 WeakPolarHBondContact CD2-OH 3.39Å; Y1706-Y1732 PolarHBondContact OH-OH 3.47Å; Y1706-Y1732 VanDerWaalsContact OH-OH 3.1Å; I1728-Y1732 HydrophobicContact CG2-CE2 3.96Å; S1729-Y1732 PolarHBondContact O-N 3.36Å; E1730-Y1732 VanDerWaalsContact C-N 3.32Å; E1730-Y1732 PolarHBondContact O-N 2.83Å; Y1732-V1739 HydrophobicContact CD1-CG1 4.08Å; Y1732-V1739 HydrophobicContact CD1-CG2 4.14Å; Y1732-V1739 HydrophobicContact CE1-CG1 3.61Å; Y1732-V1739 HydrophobicContact CE1-CG2 4.45Å; Y1732-L1759 HydrophobicContact CD1-CD2 3.98Å; Y1732-L1759 HydrophobicContact CD2-CD2 4.18Å; Y1732-L1759 HydrophobicContact CD2-CG 4.3Å; Y1732-L1759 HydrophobicContact CE1-CD2 3.62Å; Y1732-L1759 HydrophobicContact CE2-CD2 3.81Å; Y1732-L1759 HydrophobicContact CE2-CG 4.17Å; Y1732-L1759 HydrophobicContact CG-CD2 4.24Å; Y1732-L1759 VanDerWaalsContact CZ-CD2 3.49Å; Y1732-R1760 WeakPolarHBondContact O-CD 3.48Å; Y1732-R1760 PolarHBondContact O-NH1 2.78Å; Y1732-L1763 HydrophobicContact CD2-CD1 3.77Å; Y1732-L1763 HydrophobicContact CE2-CD1 3.61Å |
| 1733 | S | 87.9 | Confident | 85.7 | Confident | 47 Ų | 47 | 52.1 Ų | 52.1 | 33% | 0.329 | 28% | 0.282 | S | S | . | . | trans | -89.8 | 167.4 | 173.7 | 71.7 | 0 | 0 | 0 | 0 | 111.4 | D1735 S1756 R1757 | S1733-D1735 VanDerWaalsContact CB-OD2 3.25Å; S1733-D1735 WeakPolarHBondContact CB-OD2 3.35Å; S1733-D1735 PolarHBondContact O-N 3.01Å; S1733-D1735 WeakPolarHBondContact OG-CB 3.37Å; S1733-D1735 VanDerWaalsContact OG-CG 3.3Å; S1733-D1735 PolarHBondContact OG-N 3Å; S1733-D1735 PolarHBondContact OG-OD2 3.07Å; S1733-S1756 PolarHBondContact N-OG 2.93Å; S1733-S1756 CarbonylContact O-C 3.44Å; S1733-S1756 PolarHBondContact O-OG 3.38Å; S1733-R1757 PolarHBondContact O-N 2.91Å | ||
| 1734 | W | 89.3 | Confident | 85 | Confident | 47 Ų | 47 | 52.1 Ų | 52.1 | 18% | 0.178 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -83.1 | 13.6 | 173.5 | -67 | 121.5 | 0 | 0 | 0 | 113.5 | R1757 R1760 E1761 L1764 L1790 I1794 | W1734-R1757 HydrophobicContact CE3-CG 3.81Å; W1734-R1757 HydrophobicContact CZ3-CG 4.44Å; W1734-R1757 WeakPolarHBondContact O-CB 3.45Å; W1734-R1760 HydrophobicContact CD2-CG 4.38Å; W1734-R1760 HydrophobicContact CE3-CB 4.08Å; W1734-R1760 HydrophobicContact CE3-CG 3.99Å; W1734-R1760 HydrophobicContact CH2-CB 4.49Å; W1734-R1760 HydrophobicContact CH2-CG 3.83Å; W1734-R1760 HydrophobicContact CZ2-CG 4.16Å; W1734-R1760 HydrophobicContact CZ3-CB 3.89Å; W1734-R1760 HydrophobicContact CZ3-CG 3.7Å; W1734-E1761 HydrophobicContact CZ3-CB 4.31Å; W1734-L1764 HydrophobicContact CH2-CD1 3.43Å; W1734-L1764 VanDerWaalsContact CH2-CD1 3.43Å; W1734-L1764 HydrophobicContact CZ2-CD1 3.71Å; W1734-L1790 HydrophobicContact CD2-CD1 4.11Å; W1734-L1790 HydrophobicContact CE3-CD1 3.59Å; W1734-L1790 HydrophobicContact CE3-CD2 4.36Å; W1734-L1790 HydrophobicContact CE3-CG 4.43Å; W1734-L1790 HydrophobicContact CH2-CB 3.96Å; W1734-L1790 HydrophobicContact CH2-CD1 4.16Å; W1734-L1790 HydrophobicContact CH2-CD2 3.75Å; W1734-L1790 HydrophobicContact CH2-CG 4.16Å; W1734-L1790 HydrophobicContact CZ2-CB 4.26Å; W1734-L1790 HydrophobicContact CZ3-CB 4.29Å; W1734-L1790 HydrophobicContact CZ3-CD1 3.62Å; W1734-L1790 HydrophobicContact CZ3-CD2 3.53Å; W1734-L1790 HydrophobicContact CZ3-CG 3.99Å; W1734-I1794 HydrophobicContact CB-CD1 3.8Å; W1734-I1794 HydrophobicContact CB-CG2 4.04Å; W1734-I1794 HydrophobicContact CD2-CD1 4.01Å; W1734-I1794 HydrophobicContact CG-CD1 3.45Å; W1734-I1794 VanDerWaalsContact CG-CD1 3.45Å |
| 1735 | D | 85.4 | Confident | 84.2 | Confident | 96 Ų | 96 | 52.3 Ų | 52.3 | 51% | 0.513 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -83.1 | 160.1 | -178.6 | -51.1 | -46 | 0 | 0 | 0 | 111.5 | S1733 T1737 R1757 | S1733-D1735 VanDerWaalsContact CB-OD2 3.25Å; S1733-D1735 WeakPolarHBondContact CB-OD2 3.35Å; S1733-D1735 PolarHBondContact O-N 3.01Å; S1733-D1735 WeakPolarHBondContact OG-CB 3.37Å; S1733-D1735 VanDerWaalsContact OG-CG 3.3Å; S1733-D1735 PolarHBondContact OG-N 3Å; S1733-D1735 PolarHBondContact OG-OD2 3.07Å; D1735-T1737 HydrophobicContact CB-CG2 4.38Å; D1735-T1737 PolarHBondContact O-N 3.09Å; D1735-R1757 PolarHBondContact O-N 3.1Å |
| 1736 | E | 83.8 | Confident | 83.4 | Confident | 116 Ų | 116 | 56 Ų | 56 | 54% | 0.542 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -79.9 | 10.1 | 179.2 | -67.5 | -78.9 | -149.2 | 0 | 0 | 113.8 | S1755 R1757 | E1736-S1755 VanDerWaalsContact OE2-CB 3.3Å; E1736-S1755 WeakPolarHBondContact OE2-CB 3.4Å; E1736-S1755 PolarHBondContact OE2-OG 2.77Å; E1736-R1757 IonicContact OE1-CZ 3.69Å; E1736-R1757 IonicContact OE1-NH1 2.66Å; E1736-R1757 PolarHBondContact OE1-NH1 3.25Å; E1736-R1757 IonicContact OE1-NH2 3.62Å; E1736-R1757 PolarHBondContact OE1-NH2 3.14Å; E1736-R1757 IonicContact OE2-CZ 3.15Å; E1736-R1757 IonicContact OE2-NE 2.6Å; E1736-R1757 IonicContact OE2-NH1 2.72Å; E1736-R1757 IonicContact OE2-NH2 3.7Å; E1736-R1757 PolarHBondContact OE2-NH2 3.4Å |
| 1737 | T | 84.6 | Confident | 82.6 | Confident | 83 Ų | 83 | 59.6 Ų | 59.6 | 51% | 0.509 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -70.3 | 132.5 | 180 | 52.9 | 0 | 0 | 0 | 0 | 110.1 | D1735 S1756 | D1735-T1737 HydrophobicContact CB-CG2 4.38Å; D1735-T1737 PolarHBondContact O-N 3.09Å; T1737-S1756 WeakPolarHBondContact O-CB 3.28Å; T1737-S1756 PolarHBondContact O-N 3.34Å |
| 1738 | S | 78.7 | Confident | 82.4 | Confident | 91 Ų | 91 | 58.2 Ų | 58.2 | 64% | 0.636 | 32% | 0.317 | S | S | * | . | P | Polyproline II helix | trans | -59 | 139 | 170.1 | 55.7 | 0 | 0 | 0 | 0 | 110.3 | ||
| 1739 | V | 81 | Confident | 82 | Confident | 25 Ų | 25 | 59.3 Ų | 59.3 | 15% | 0.152 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -93 | 147 | 178.3 | 178.4 | 0 | 0 | 0 | 0 | 109.4 | Y1732 V1741 V1744 G1752 S1756 L1759 | Y1732-V1739 HydrophobicContact CD1-CG1 4.08Å; Y1732-V1739 HydrophobicContact CD1-CG2 4.14Å; Y1732-V1739 HydrophobicContact CE1-CG1 3.61Å; Y1732-V1739 HydrophobicContact CE1-CG2 4.45Å; V1739-V1741 WeakPolarHBondContact O-CG2 3.48Å; V1739-V1741 PolarHBondContact O-N 3.3Å; V1739-V1744 HydrophobicContact CG1-CG2 4.41Å; V1739-G1752 PolarHBondContact N-O 3.27Å; V1739-G1752 VanDerWaalsContact N-O 3.09Å; V1739-S1756 VanDerWaalsContact CG2-CB 3.45Å; V1739-L1759 HydrophobicContact CB-CD2 4.42Å; V1739-L1759 HydrophobicContact CG1-CD2 4.18Å; V1739-L1759 HydrophobicContact CG2-CD2 4.3Å |
| 1740 | D | 72.7 | Confident | 81.6 | Confident | 118 Ų | 118 | 62.4 Ų | 62.4 | 63% | 0.631 | 34% | 0.338 | S | S | * | . | P | Polyproline II helix | trans | -67.1 | 117.6 | 167.1 | -171.6 | -5.4 | 0 | 0 | 0 | 109.8 | D1742 | D1740-D1742 PolarHBondContact OD1-N 3.02Š|
| 1741 | V | 76.8 | Confident | 81.4 | Confident | 27 Ų | 27 | 60.1 Ų | 60.1 | 16% | 0.164 | 33% | 0.326 | C | S | . | . | trans | -93.1 | -4.4 | -164.5 | -156.2 | 0 | 0 | 0 | 0 | 112.2 | V1739 D1743 V1744 V1749 K1753 | V1739-V1741 WeakPolarHBondContact O-CG2 3.48Å; V1739-V1741 PolarHBondContact O-N 3.3Å; V1741-D1743 VanDerWaalsContact C-N 3.29Å; V1741-D1743 PolarHBondContact O-N 3.27Å; V1741-V1744 HydrophobicContact CG1-CB 4.05Å; V1741-V1744 HydrophobicContact CG1-CG2 4.38Å; V1741-V1744 PolarHBondContact O-N 3.42Å; V1741-V1749 HydrophobicContact CG1-CB 3.66Å; V1741-V1749 HydrophobicContact CG1-CG1 3.43Å; V1741-V1749 VanDerWaalsContact CG1-CG1 3.43Å; V1741-V1749 HydrophobicContact CG1-CG2 3.69Å; V1741-K1753 HydrophobicContact CG2-CG 3.77Å | ||
| 1742 | D | 69 | Low | 81.1 | Confident | 145 Ų | 145 | 57 Ų | 57 | 78% | 0.775 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -34 | -174 | -75.7 | -8.7 | 0 | 0 | 0 | 113 | D1740 | D1740-D1742 PolarHBondContact OD1-N 3.02Š|
| 1743 | D | 66.4 | Low | 80.8 | Confident | 56 Ų | 56 | 62.1 Ų | 62.1 | 30% | 0.299 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -4 | 179 | -71.7 | -43.5 | 0 | 0 | 0 | 114.1 | L1702 Y1706 V1741 | L1702-D1743 HydrophobicContact CD2-CB 4.09Å; Y1706-D1743 VanDerWaalsContact CD2-O 3.23Å; Y1706-D1743 WeakPolarHBondContact CD2-O 3.23Å; Y1706-D1743 WeakPolarHBondContact CE2-O 3.5Å; V1741-D1743 VanDerWaalsContact C-N 3.29Å; V1741-D1743 PolarHBondContact O-N 3.27Å |
| 1744 | V | 80.4 | Confident | 80.7 | Confident | 9 Ų | 9 | 63.1 Ų | 63.1 | 6% | 0.055 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -80.1 | 133.8 | -177.3 | -179.6 | 0 | 0 | 0 | 0 | 110.2 | V1739 V1741 V1749 L1759 | V1739-V1744 HydrophobicContact CG1-CG2 4.41Å; V1741-V1744 HydrophobicContact CG1-CB 4.05Å; V1741-V1744 HydrophobicContact CG1-CG2 4.38Å; V1741-V1744 PolarHBondContact O-N 3.42Å; V1744-V1749 HydrophobicContact CB-CG2 4.5Å; V1744-V1749 HydrophobicContact CG1-CG2 4.45Å; V1744-L1759 HydrophobicContact CG1-CD1 4.33Å; V1744-L1759 HydrophobicContact CG1-CD2 4.48Å; V1744-L1759 HydrophobicContact CG2-CD2 4.23Å |
| 1745 | S | 78 | Confident | 80.6 | Confident | 4 Ų | 4 | 61 Ų | 61 | 3% | 0.028 | 33% | 0.33 | C | S | . | . | trans | -57.4 | 138.8 | 175.9 | -171.5 | 0 | 0 | 0 | 0 | 110.8 | R1710 H1747 Y1748 V1749 | R1710-S1745 PolarHBondContact NH2-OG 3.19Å; S1745-H1747 PolarHBondContact O-N 3.05Å; S1745-Y1748 WeakPolarHBondContact O-CA 3.36Å; S1745-Y1748 PolarHBondContact O-N 3.33Å; S1745-V1749 PolarHBondContact O-N 2.87Å | ||
| 1746 | P | 77.1 | Confident | 80.7 | Confident | 77 Ų | 77 | 56.6 Ų | 56.6 | 50% | 0.5 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -47.4 | -37.1 | -174.2 | -31.1 | 35.7 | 0 | 0 | 0 | 115 | Y1748 V1749 | P1746-Y1748 PolarHBondContact O-N 3.16Å; P1746-V1749 PolarHBondContact O-N 2.88Å |
| 1747 | H | 79.7 | Confident | 81.1 | Confident | 98 Ų | 98 | 53 Ų | 53 | 45% | 0.454 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -60 | -27.7 | 177.7 | -168.8 | 71.6 | 0 | 0 | 0 | 113.5 | S1745 | S1745-H1747 PolarHBondContact O-N 3.05Š|
| 1748 | Y | 86.6 | Confident | 81.3 | Confident | 3 Ų | 3 | 52.3 Ų | 52.3 | 1% | 0.012 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -104.6 | -10.2 | -175.8 | -64.5 | -63.5 | 0 | 0 | 0 | 114.4 | Y1706 L1725 S1745 P1746 Q1750 Y1751 G1752 L1759 R1762 L1763 D1766 | Y1706-Y1748 AromaticContact CE1-CD2 3.82Å; Y1706-Y1748 HydrophobicContact CE1-CD2 3.82Å; Y1706-Y1748 HydrophobicContact CE1-CE2 4.27Å; L1725-Y1748 HydrophobicContact CD2-CE2 4.2Å; S1745-Y1748 WeakPolarHBondContact O-CA 3.36Å; S1745-Y1748 PolarHBondContact O-N 3.33Å; P1746-Y1748 PolarHBondContact O-N 3.16Å; Y1748-Q1750 VanDerWaalsContact C-N 3.29Å; Y1748-Q1750 PolarHBondContact O-N 3.16Å; Y1748-Y1751 HydrophobicContact CD1-CD2 4.44Å; Y1748-Y1751 PolarHBondContact O-N 3.38Å; Y1748-G1752 PolarHBondContact O-N 3.24Å; Y1748-L1759 HydrophobicContact CD1-CD1 4.44Å; Y1748-L1759 HydrophobicContact CG-CD1 4.28Å; Y1748-R1762 HydrophobicContact CD1-CG 3.96Å; Y1748-R1762 HydrophobicContact CE1-CG 3.94Å; Y1748-L1763 HydrophobicContact CD1-CD2 3.98Å; Y1748-L1763 HydrophobicContact CD1-CG 4.41Å; Y1748-L1763 HydrophobicContact CD2-CD2 3.95Å; Y1748-L1763 HydrophobicContact CE1-CD2 3.8Å; Y1748-L1763 HydrophobicContact CE1-CG 4.42Å; Y1748-L1763 HydrophobicContact CE2-CD2 3.77Å; Y1748-L1763 HydrophobicContact CG-CD2 4.08Å; Y1748-D1766 WeakPolarHBondContact CE1-OD2 3.26Å; Y1748-D1766 PolarHBondContact OH-OD2 3.23Å |
| 1749 | V | 84.2 | Confident | 82 | Confident | 22 Ų | 22 | 48 Ų | 48 | 13% | 0.133 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -53.7 | -42.3 | -175.7 | 166.1 | 0 | 0 | 0 | 0 | 112.5 | V1741 V1744 S1745 P1746 Y1751 G1752 K1753 I2366 | V1741-V1749 HydrophobicContact CG1-CB 3.66Å; V1741-V1749 HydrophobicContact CG1-CG1 3.43Å; V1741-V1749 VanDerWaalsContact CG1-CG1 3.43Å; V1741-V1749 HydrophobicContact CG1-CG2 3.69Å; V1744-V1749 HydrophobicContact CB-CG2 4.5Å; V1744-V1749 HydrophobicContact CG1-CG2 4.45Å; S1745-V1749 PolarHBondContact O-N 2.87Å; P1746-V1749 PolarHBondContact O-N 2.88Å; V1749-Y1751 VanDerWaalsContact C-N 3.25Å; V1749-Y1751 PolarHBondContact O-N 2.91Å; V1749-G1752 PolarHBondContact O-N 3.42Å; V1749-K1753 HydrophobicContact CG1-CD 4.43Å; V1749-K1753 WeakPolarHBondContact O-CG 3.24Å; V1749-K1753 PolarHBondContact O-N 2.94Å; V1749-I2366 HydrophobicContact CG1-CD1 3.92Å |
| 1750 | Q | 84.2 | Confident | 82.6 | Confident | 66 Ų | 66 | 48.5 Ų | 48.5 | 31% | 0.308 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.4 | -34.2 | -178.3 | 65 | -174.7 | -4.4 | 0 | 0 | 112.8 | Y1748 S1754 | Y1748-Q1750 VanDerWaalsContact C-N 3.29Å; Y1748-Q1750 PolarHBondContact O-N 3.16Å; Q1750-S1754 PolarHBondContact O-OG 3.34Å |
| 1751 | Y | 86 | Confident | 83.7 | Confident | 49 Ų | 49 | 43.4 Ų | 43.4 | 19% | 0.192 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -79.8 | -37.7 | 179.9 | -51.9 | -77.7 | 0 | 0 | 0 | 111.2 | Y1748 V1749 S1754 S1755 E1758 R1762 | Y1748-Y1751 HydrophobicContact CD1-CD2 4.44Å; Y1748-Y1751 PolarHBondContact O-N 3.38Å; V1749-Y1751 VanDerWaalsContact C-N 3.25Å; V1749-Y1751 PolarHBondContact O-N 2.91Å; Y1751-S1754 WeakPolarHBondContact O-CB 3.1Å; Y1751-S1754 PolarHBondContact O-N 2.83Å; Y1751-S1755 PolarHBondContact O-N 2.7Å; Y1751-S1755 VanDerWaalsContact O-O 3.07Å; Y1751-E1758 HydrophobicContact CD1-CG 3.97Å; Y1751-R1762 HydrophobicContact CD1-CB 4.31Å; Y1751-R1762 HydrophobicContact CD1-CG 4.39Å; Y1751-R1762 HydrophobicContact CD2-CB 4.21Å; Y1751-R1762 HydrophobicContact CD2-CG 3.77Å; Y1751-R1762 HydrophobicContact CE1-CG 4.24Å; Y1751-R1762 HydrophobicContact CE2-CB 4.46Å; Y1751-R1762 HydrophobicContact CE2-CG 3.62Å; Y1751-R1762 HydrophobicContact CG-CB 4.12Å; Y1751-R1762 HydrophobicContact CG-CG 4.16Å |
| 1752 | G | 82.4 | Confident | 84.5 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.1 | -34.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114 | V1739 Y1748 V1749 S1754 | V1739-G1752 PolarHBondContact N-O 3.27Å; V1739-G1752 VanDerWaalsContact N-O 3.09Å; Y1748-G1752 PolarHBondContact O-N 3.24Å; V1749-G1752 PolarHBondContact O-N 3.42Å; G1752-S1754 VanDerWaalsContact C-N 3.28Å; G1752-S1754 PolarHBondContact O-N 2.96Å |
| 1753 | K | 82.9 | Confident | 85.8 | Confident | 125 Ų | 125 | 38.4 Ų | 38.4 | 54% | 0.543 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -62 | -36 | 172.3 | -76.1 | -175 | 179.1 | -176.1 | 0 | 112.4 | V1741 V1749 | V1741-K1753 HydrophobicContact CG2-CG 3.77Å; V1749-K1753 HydrophobicContact CG1-CD 4.43Å; V1749-K1753 WeakPolarHBondContact O-CG 3.24Å; V1749-K1753 PolarHBondContact O-N 2.94Å |
| 1754 | S | 84.7 | Confident | 87.3 | Confident | 69 Ų | 69 | 35.8 Ų | 35.8 | 48% | 0.483 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -73.7 | -60.7 | 178.4 | -58.7 | 0 | 0 | 0 | 0 | 111.4 | Q1750 Y1751 G1752 E1758 | Q1750-S1754 PolarHBondContact O-OG 3.34Å; Y1751-S1754 WeakPolarHBondContact O-CB 3.1Å; Y1751-S1754 PolarHBondContact O-N 2.83Å; G1752-S1754 VanDerWaalsContact C-N 3.28Å; G1752-S1754 PolarHBondContact O-N 2.96Å; S1754-E1758 WeakPolarHBondContact CB-OE2 3.49Å; S1754-E1758 PolarHBondContact OG-OE2 3.3Å |
| 1755 | S | 87.3 | Confident | 88 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.007 | 18% | 0.184 | C | C | . | . | trans | -165.3 | 153.5 | 179.4 | 62 | 0 | 0 | 0 | 0 | 112.8 | E1736 Y1751 R1757 E1758 L1759 | E1736-S1755 VanDerWaalsContact OE2-CB 3.3Å; E1736-S1755 WeakPolarHBondContact OE2-CB 3.4Å; E1736-S1755 PolarHBondContact OE2-OG 2.77Å; Y1751-S1755 PolarHBondContact O-N 2.7Å; Y1751-S1755 VanDerWaalsContact O-O 3.07Å; S1755-R1757 VanDerWaalsContact C-N 3.26Å; S1755-R1757 PolarHBondContact O-N 3.45Å; S1755-E1758 PolarHBondContact O-N 3.27Å; S1755-E1758 WeakPolarHBondContact OG-CB 3.45Å; S1755-E1758 PolarHBondContact OG-N 3.2Å; S1755-L1759 PolarHBondContact O-N 3.23Å; S1755-L1759 VanDerWaalsContact O-N 3.11Å | ||
| 1756 | S | 88.5 | Confident | 88.8 | Confident | 5 Ų | 5 | 38.1 Ų | 38.1 | 4% | 0.035 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -56.6 | -41 | 170.5 | 178.9 | 0 | 0 | 0 | 0 | 112 | S1733 T1737 V1739 L1759 R1760 | S1733-S1756 PolarHBondContact N-OG 2.93Å; S1733-S1756 CarbonylContact O-C 3.44Å; S1733-S1756 PolarHBondContact O-OG 3.38Å; T1737-S1756 WeakPolarHBondContact O-CB 3.28Å; T1737-S1756 PolarHBondContact O-N 3.34Å; V1739-S1756 VanDerWaalsContact CG2-CB 3.45Å; S1756-L1759 PolarHBondContact O-N 3.31Å; S1756-R1760 WeakPolarHBondContact O-CB 3.37Å; S1756-R1760 PolarHBondContact O-N 3.05Å |
| 1757 | R | 91.7 | Very high | 89.8 | Confident | 41 Ų | 41 | 34.4 Ų | 34.4 | 16% | 0.155 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.7 | -49.7 | 175 | -174.1 | -160.1 | 55.7 | -150 | -16 | 112.7 | S1733 W1734 D1735 E1736 S1755 L1759 R1760 E1761 L1790 | S1733-R1757 PolarHBondContact O-N 2.91Å; W1734-R1757 HydrophobicContact CE3-CG 3.81Å; W1734-R1757 HydrophobicContact CZ3-CG 4.44Å; W1734-R1757 WeakPolarHBondContact O-CB 3.45Å; D1735-R1757 PolarHBondContact O-N 3.1Å; E1736-R1757 IonicContact OE1-CZ 3.69Å; E1736-R1757 IonicContact OE1-NH1 2.66Å; E1736-R1757 PolarHBondContact OE1-NH1 3.25Å; E1736-R1757 IonicContact OE1-NH2 3.62Å; E1736-R1757 PolarHBondContact OE1-NH2 3.14Å; E1736-R1757 IonicContact OE2-CZ 3.15Å; E1736-R1757 IonicContact OE2-NE 2.6Å; E1736-R1757 IonicContact OE2-NH1 2.72Å; E1736-R1757 IonicContact OE2-NH2 3.7Å; E1736-R1757 PolarHBondContact OE2-NH2 3.4Å; S1755-R1757 VanDerWaalsContact C-N 3.26Å; S1755-R1757 PolarHBondContact O-N 3.45Å; R1757-L1759 VanDerWaalsContact C-N 3.34Å; R1757-L1759 PolarHBondContact O-N 3.07Å; R1757-R1760 PolarHBondContact O-N 3.49Å; R1757-E1761 WeakPolarHBondContact O-CB 3.25Å; R1757-E1761 PolarHBondContact O-N 3.06Å; R1757-L1790 HydrophobicContact CG-CD1 4.06Å |
| 1758 | E | 90.1 | Very high | 90.6 | Very high | 67 Ų | 67 | 30 Ų | 30 | 31% | 0.313 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -65.9 | -38.1 | -177.4 | -170.2 | 178.5 | 172.3 | 0 | 0 | 111.5 | Y1751 S1754 S1755 R1762 | Y1751-E1758 HydrophobicContact CD1-CG 3.97Å; S1754-E1758 WeakPolarHBondContact CB-OE2 3.49Å; S1754-E1758 PolarHBondContact OG-OE2 3.3Å; S1755-E1758 PolarHBondContact O-N 3.27Å; S1755-E1758 WeakPolarHBondContact OG-CB 3.45Å; S1755-E1758 PolarHBondContact OG-N 3.2Å; E1758-R1762 WeakPolarHBondContact O-CB 3.47Å; E1758-R1762 PolarHBondContact O-N 3.36Å |
| 1759 | L | 92.5 | Very high | 91 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61 | -48.8 | 171.6 | 176.8 | 57.4 | 0 | 0 | 0 | 111.8 | Y1732 V1739 V1744 Y1748 S1755 S1756 R1757 E1761 R1762 L1763 | Y1732-L1759 HydrophobicContact CD1-CD2 3.98Å; Y1732-L1759 HydrophobicContact CD2-CD2 4.18Å; Y1732-L1759 HydrophobicContact CD2-CG 4.3Å; Y1732-L1759 HydrophobicContact CE1-CD2 3.62Å; Y1732-L1759 HydrophobicContact CE2-CD2 3.81Å; Y1732-L1759 HydrophobicContact CE2-CG 4.17Å; Y1732-L1759 HydrophobicContact CG-CD2 4.24Å; Y1732-L1759 VanDerWaalsContact CZ-CD2 3.49Å; V1739-L1759 HydrophobicContact CB-CD2 4.42Å; V1739-L1759 HydrophobicContact CG1-CD2 4.18Å; V1739-L1759 HydrophobicContact CG2-CD2 4.3Å; V1744-L1759 HydrophobicContact CG1-CD1 4.33Å; V1744-L1759 HydrophobicContact CG1-CD2 4.48Å; V1744-L1759 HydrophobicContact CG2-CD2 4.23Å; Y1748-L1759 HydrophobicContact CD1-CD1 4.44Å; Y1748-L1759 HydrophobicContact CG-CD1 4.28Å; S1755-L1759 PolarHBondContact O-N 3.23Å; S1755-L1759 VanDerWaalsContact O-N 3.11Å; S1756-L1759 PolarHBondContact O-N 3.31Å; R1757-L1759 VanDerWaalsContact C-N 3.34Å; R1757-L1759 PolarHBondContact O-N 3.07Å; L1759-E1761 PolarHBondContact O-N 3.31Å; L1759-R1762 PolarHBondContact O-N 3.22Å; L1759-L1763 HydrophobicContact CD1-CD1 3.96Å; L1759-L1763 HydrophobicContact CD1-CG 4.2Å; L1759-L1763 HydrophobicContact CG-CD1 3.98Å; L1759-L1763 VanDerWaalsContact O-CG 3.29Å; L1759-L1763 WeakPolarHBondContact O-CG 3.46Å; L1759-L1763 PolarHBondContact O-N 3.46Å |
| 1760 | R | 94.5 | Very high | 91.5 | Very high | 36 Ų | 36 | 34.1 Ų | 34.1 | 14% | 0.136 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.5 | -42.4 | 179.1 | -175.2 | 170.1 | 174.8 | 127.3 | 8.6 | 112 | S1729 Y1732 W1734 S1756 R1757 L1763 L1764 | S1729-R1760 WeakPolarHBondContact O-CD 3.46Å; S1729-R1760 PolarHBondContact O-NH1 2.86Å; Y1732-R1760 WeakPolarHBondContact O-CD 3.48Å; Y1732-R1760 PolarHBondContact O-NH1 2.78Å; W1734-R1760 HydrophobicContact CD2-CG 4.38Å; W1734-R1760 HydrophobicContact CE3-CB 4.08Å; W1734-R1760 HydrophobicContact CE3-CG 3.99Å; W1734-R1760 HydrophobicContact CH2-CB 4.49Å; W1734-R1760 HydrophobicContact CH2-CG 3.83Å; W1734-R1760 HydrophobicContact CZ2-CG 4.16Å; W1734-R1760 HydrophobicContact CZ3-CB 3.89Å; W1734-R1760 HydrophobicContact CZ3-CG 3.7Å; S1756-R1760 WeakPolarHBondContact O-CB 3.37Å; S1756-R1760 PolarHBondContact O-N 3.05Å; R1757-R1760 PolarHBondContact O-N 3.49Å; R1760-L1763 PolarHBondContact O-N 3.22Å; R1760-L1764 HydrophobicContact CG-CD1 4.09Å; R1760-L1764 WeakPolarHBondContact O-CG 3.26Å; R1760-L1764 PolarHBondContact O-N 3.41Å; R1760-L1764 VanDerWaalsContact O-N 3.08Å |
| 1761 | E | 94.3 | Very high | 92 | Very high | 12 Ų | 12 | 31 Ų | 31 | 6% | 0.056 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58 | -50.5 | 174.7 | -179.1 | -176.2 | 173.5 | 0 | 0 | 110.8 | W1734 R1757 L1759 L1763 L1764 L1765 L1790 Y1791 R1800 | W1734-E1761 HydrophobicContact CZ3-CB 4.31Å; R1757-E1761 WeakPolarHBondContact O-CB 3.25Å; R1757-E1761 PolarHBondContact O-N 3.06Å; L1759-E1761 PolarHBondContact O-N 3.31Å; E1761-L1763 PolarHBondContact O-N 3.23Å; E1761-L1764 PolarHBondContact O-N 3.08Å; E1761-L1765 HydrophobicContact CG-CD1 4.04Å; E1761-L1765 WeakPolarHBondContact O-CG 3Å; E1761-L1765 PolarHBondContact O-N 3.36Å; E1761-L1790 HydrophobicContact CB-CD2 3.83Å; E1761-L1790 HydrophobicContact CG-CD2 3.64Å; E1761-Y1791 HydrophobicContact CG-CE1 4.45Å; E1761-Y1791 VanDerWaalsContact OE1-CE1 3.28Å; E1761-Y1791 WeakPolarHBondContact OE1-CE1 3.42Å; E1761-Y1791 PolarHBondContact OE1-OH 2.81Å; E1761-R1800 IonicContact OE1-CZ 3.07Å; E1761-R1800 IonicContact OE1-NE 3.89Å; E1761-R1800 IonicContact OE1-NH1 2.82Å; E1761-R1800 PolarHBondContact OE1-NH1 3.09Å; E1761-R1800 IonicContact OE2-NH1 2.89Å; E1761-R1800 PolarHBondContact OE2-NH1 2.87Å |
| 1762 | R | 94.9 | Very high | 92.3 | Very high | 67 Ų | 67 | 31.6 Ų | 31.6 | 25% | 0.253 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -61.4 | -43.3 | -179.4 | -179.4 | 65.1 | -173.7 | 145.1 | 13.1 | 112.5 | Y1748 Y1751 E1758 L1759 L1764 L1765 D1766 | Y1748-R1762 HydrophobicContact CD1-CG 3.96Å; Y1748-R1762 HydrophobicContact CE1-CG 3.94Å; Y1751-R1762 HydrophobicContact CD1-CB 4.31Å; Y1751-R1762 HydrophobicContact CD1-CG 4.39Å; Y1751-R1762 HydrophobicContact CD2-CB 4.21Å; Y1751-R1762 HydrophobicContact CD2-CG 3.77Å; Y1751-R1762 HydrophobicContact CE1-CG 4.24Å; Y1751-R1762 HydrophobicContact CE2-CB 4.46Å; Y1751-R1762 HydrophobicContact CE2-CG 3.62Å; Y1751-R1762 HydrophobicContact CG-CB 4.12Å; Y1751-R1762 HydrophobicContact CG-CG 4.16Å; E1758-R1762 WeakPolarHBondContact O-CB 3.47Å; E1758-R1762 PolarHBondContact O-N 3.36Å; L1759-R1762 PolarHBondContact O-N 3.22Å; R1762-L1764 VanDerWaalsContact C-N 3.33Å; R1762-L1764 PolarHBondContact O-N 3.18Å; R1762-L1765 PolarHBondContact O-N 2.89Å; R1762-D1766 IonicContact CZ-OD1 2.61Å; R1762-D1766 IonicContact CZ-OD2 3.84Å; R1762-D1766 IonicContact NE-OD1 3.73Å; R1762-D1766 IonicContact NE-OD2 3.84Å; R1762-D1766 IonicContact NH1-OD1 2.72Å; R1762-D1766 PolarHBondContact NH1-OD1 3.09Å; R1762-D1766 VanDerWaalsContact NH1-OD1 3.15Å; R1762-D1766 IonicContact NH2-OD1 2.58Å; R1762-D1766 PolarHBondContact NH2-OD1 3.06Å; R1762-D1766 IonicContact NH2-OD2 3.13Å; R1762-D1766 PolarHBondContact NH2-OD2 3.44Å; R1762-D1766 PolarHBondContact O-N 2.88Å |
| 1763 | L | 95.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.8 | -40.4 | 177.5 | -72 | 164.6 | 0 | 0 | 0 | 112.1 | Y1706 L1725 I1728 Y1732 Y1748 L1759 R1760 E1761 S1767 | Y1706-L1763 HydrophobicContact CE1-CD2 4.49Å; L1725-L1763 HydrophobicContact CD2-CD2 3.92Å; I1728-L1763 HydrophobicContact CG2-CD1 3.83Å; I1728-L1763 HydrophobicContact CG2-CD2 4.15Å; Y1732-L1763 HydrophobicContact CD2-CD1 3.77Å; Y1732-L1763 HydrophobicContact CE2-CD1 3.61Å; Y1748-L1763 HydrophobicContact CD1-CD2 3.98Å; Y1748-L1763 HydrophobicContact CD1-CG 4.41Å; Y1748-L1763 HydrophobicContact CD2-CD2 3.95Å; Y1748-L1763 HydrophobicContact CE1-CD2 3.8Å; Y1748-L1763 HydrophobicContact CE1-CG 4.42Å; Y1748-L1763 HydrophobicContact CE2-CD2 3.77Å; Y1748-L1763 HydrophobicContact CG-CD2 4.08Å; L1759-L1763 HydrophobicContact CD1-CD1 3.96Å; L1759-L1763 HydrophobicContact CD1-CG 4.2Å; L1759-L1763 HydrophobicContact CG-CD1 3.98Å; L1759-L1763 VanDerWaalsContact O-CG 3.29Å; L1759-L1763 WeakPolarHBondContact O-CG 3.46Å; L1759-L1763 PolarHBondContact O-N 3.46Å; R1760-L1763 PolarHBondContact O-N 3.22Å; E1761-L1763 PolarHBondContact O-N 3.23Å; L1763-S1767 WeakPolarHBondContact O-CB 3.27Å; L1763-S1767 PolarHBondContact O-N 3.45Å |
| 1764 | L | 96.9 | Very high | 93 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -70.6 | -36.3 | 177 | -74.1 | 166.5 | 0 | 0 | 0 | 112.4 | S1729 W1734 R1760 E1761 R1762 S1767 F1768 I1783 K1786 L1787 | S1729-L1764 WeakPolarHBondContact OG-CD2 3.48Å; W1734-L1764 HydrophobicContact CH2-CD1 3.43Å; W1734-L1764 VanDerWaalsContact CH2-CD1 3.43Å; W1734-L1764 HydrophobicContact CZ2-CD1 3.71Å; R1760-L1764 HydrophobicContact CG-CD1 4.09Å; R1760-L1764 WeakPolarHBondContact O-CG 3.26Å; R1760-L1764 PolarHBondContact O-N 3.41Å; R1760-L1764 VanDerWaalsContact O-N 3.08Å; E1761-L1764 PolarHBondContact O-N 3.08Å; R1762-L1764 VanDerWaalsContact C-N 3.33Å; R1762-L1764 PolarHBondContact O-N 3.18Å; L1764-S1767 PolarHBondContact O-N 2.83Å; L1764-F1768 VanDerWaalsContact O-CB 3.32Å; L1764-F1768 WeakPolarHBondContact O-CB 3.06Å; L1764-F1768 PolarHBondContact O-N 2.99Å; L1764-I1783 HydrophobicContact CB-CG2 4.3Å; L1764-I1783 HydrophobicContact CD2-CD1 4.25Å; L1764-I1783 HydrophobicContact CD2-CG2 4.08Å; L1764-I1783 WeakPolarHBondContact O-CG2 3.06Å; L1764-K1786 HydrophobicContact CD2-CD 4.27Å; L1764-L1787 HydrophobicContact CB-CD2 3.82Å; L1764-L1787 HydrophobicContact CB-CG 4.2Å |
| 1765 | L | 96.2 | Very high | 93.2 | Very high | 50 Ų | 50 | 26.6 Ų | 26.6 | 26% | 0.262 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -63.5 | -42.7 | 173.5 | -73.5 | 169.3 | 0 | 0 | 0 | 111.8 | E1761 R1762 F1768 E1769 L1787 | E1761-L1765 HydrophobicContact CG-CD1 4.04Å; E1761-L1765 WeakPolarHBondContact O-CG 3Å; E1761-L1765 PolarHBondContact O-N 3.36Å; R1762-L1765 PolarHBondContact O-N 2.89Å; L1765-F1768 WeakPolarHBondContact O-CB 3.32Å; L1765-F1768 PolarHBondContact O-N 3.14Å; L1765-E1769 PolarHBondContact O-N 2.8Å; L1765-E1769 VanDerWaalsContact O-N 3.09Å; L1765-L1787 HydrophobicContact CD2-CD1 3.8Å; L1765-L1787 HydrophobicContact CD2-CD2 4.36Å; L1765-L1787 HydrophobicContact CG-CD1 4.37Å; L1765-L1787 HydrophobicContact CG-CD2 4.28Å |
| 1766 | D | 95.7 | Very high | 93.4 | Very high | 12 Ų | 12 | 26.7 Ų | 26.7 | 6% | 0.064 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -68.7 | -40.6 | 176 | -74.4 | -15.3 | 0 | 0 | 0 | 111.7 | L1725 Y1748 R1762 F1768 E1769 Y1770 | L1725-D1766 HydrophobicContact CD1-CB 4.06Å; Y1748-D1766 WeakPolarHBondContact CE1-OD2 3.26Å; Y1748-D1766 PolarHBondContact OH-OD2 3.23Å; R1762-D1766 IonicContact CZ-OD1 2.61Å; R1762-D1766 IonicContact CZ-OD2 3.84Å; R1762-D1766 IonicContact NE-OD1 3.73Å; R1762-D1766 IonicContact NE-OD2 3.84Å; R1762-D1766 IonicContact NH1-OD1 2.72Å; R1762-D1766 PolarHBondContact NH1-OD1 3.09Å; R1762-D1766 VanDerWaalsContact NH1-OD1 3.15Å; R1762-D1766 IonicContact NH2-OD1 2.58Å; R1762-D1766 PolarHBondContact NH2-OD1 3.06Å; R1762-D1766 IonicContact NH2-OD2 3.13Å; R1762-D1766 PolarHBondContact NH2-OD2 3.44Å; R1762-D1766 PolarHBondContact O-N 2.88Å; D1766-F1768 VanDerWaalsContact C-N 3.31Å; D1766-F1768 PolarHBondContact O-N 2.78Å; D1766-E1769 PolarHBondContact O-N 3.05Å; D1766-Y1770 HydrophobicContact CB-CD2 4.42Å; D1766-Y1770 HydrophobicContact CB-CE2 4.21Å; D1766-Y1770 WeakPolarHBondContact O-CD2 3.42Å; D1766-Y1770 PolarHBondContact O-N 2.92Å |
| 1767 | S | 96.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -56.7 | -45.7 | 172.6 | 177.5 | 0 | 0 | 0 | 0 | 111.4 | G1722 L1763 L1764 E1769 Y1770 L1771 | G1722-S1767 PolarHBondContact O-OG 3.33Å; L1763-S1767 WeakPolarHBondContact O-CB 3.27Å; L1763-S1767 PolarHBondContact O-N 3.45Å; L1764-S1767 PolarHBondContact O-N 2.83Å; S1767-E1769 PolarHBondContact O-N 2.87Å; S1767-Y1770 PolarHBondContact O-N 3.16Å; S1767-L1771 WeakPolarHBondContact O-CB 3.47Å; S1767-L1771 VanDerWaalsContact O-CG 3.28Å; S1767-L1771 WeakPolarHBondContact O-CG 3.37Å; S1767-L1771 PolarHBondContact O-N 2.91Å |
| 1768 | F | 97 | Very high | 93.5 | Very high | 4 Ų | 4 | 26 Ų | 26 | 2% | 0.018 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -56.9 | -48.7 | 176.1 | 178.3 | -102.2 | 0 | 0 | 0 | 112.1 | L1764 L1765 D1766 L1771 K1772 A1780 I1783 I1804 E1807 L1811 | L1764-F1768 VanDerWaalsContact O-CB 3.32Å; L1764-F1768 WeakPolarHBondContact O-CB 3.06Å; L1764-F1768 PolarHBondContact O-N 2.99Å; L1765-F1768 WeakPolarHBondContact O-CB 3.32Å; L1765-F1768 PolarHBondContact O-N 3.14Å; D1766-F1768 VanDerWaalsContact C-N 3.31Å; D1766-F1768 PolarHBondContact O-N 2.78Å; F1768-L1771 PolarHBondContact O-N 3.14Å; F1768-K1772 WeakPolarHBondContact O-CB 3.42Å; F1768-K1772 PolarHBondContact O-N 3.12Å; F1768-A1780 HydrophobicContact CD2-CB 4.05Å; F1768-A1780 VanDerWaalsContact CD2-O 3.27Å; F1768-A1780 WeakPolarHBondContact CD2-O 3.38Å; F1768-A1780 HydrophobicContact CE2-CB 4.09Å; F1768-A1780 WeakPolarHBondContact CE2-O 3.48Å; F1768-I1783 HydrophobicContact CB-CG2 3.91Å; F1768-I1804 HydrophobicContact CE1-CD1 4.37Å; F1768-I1804 HydrophobicContact CZ-CD1 4.38Å; F1768-E1807 HydrophobicContact CE1-CB 4.22Å; F1768-E1807 HydrophobicContact CE1-CG 4.47Å; F1768-E1807 HydrophobicContact CZ-CB 3.99Å; F1768-L1811 HydrophobicContact CE2-CD1 3.53Å; F1768-L1811 HydrophobicContact CZ-CD1 3.66Å |
| 1769 | E | 95.3 | Very high | 93.7 | Very high | 67 Ų | 67 | 23.3 Ų | 23.3 | 31% | 0.313 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -66.7 | -41.2 | 179.2 | -76.1 | -58.7 | 141 | 0 | 0 | 112.9 | L1765 D1766 S1767 K1772 Q1773 | L1765-E1769 PolarHBondContact O-N 2.8Å; L1765-E1769 VanDerWaalsContact O-N 3.09Å; D1766-E1769 PolarHBondContact O-N 3.05Å; S1767-E1769 PolarHBondContact O-N 2.87Å; E1769-K1772 WeakPolarHBondContact O-CB 3.42Å; E1769-K1772 PolarHBondContact O-N 2.77Å; E1769-K1772 IonicContact OE1-NZ 3.46Å; E1769-K1772 PolarHBondContact OE1-NZ 2.95Å; E1769-K1772 VanDerWaalsContact OE2-CE 3.31Å; E1769-K1772 WeakPolarHBondContact OE2-CE 3.41Å; E1769-K1772 IonicContact OE2-NZ 3.81Å; E1769-K1772 PolarHBondContact OE2-NZ 2.81Å; E1769-Q1773 VanDerWaalsContact O-CG 3.31Å; E1769-Q1773 WeakPolarHBondContact O-CG 3.48Å; E1769-Q1773 PolarHBondContact O-N 3.32Å |
| 1770 | Y | 95.3 | Very high | 93.7 | Very high | 46 Ų | 46 | 23.3 Ų | 23.3 | 18% | 0.18 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -67.7 | -36.2 | 177.5 | -71.9 | -53.8 | 0 | 0 | 0 | 112.9 | R1721 L1725 D1766 S1767 Q1773 G1774 | R1721-Y1770 HydrophobicContact CG-CD2 4.32Å; R1721-Y1770 VanDerWaalsContact CZ-CE2 3.49Å; R1721-Y1770 PolarHBondContact NH1-OH 3.16Å; R1721-Y1770 PolarHBondContact NH2-OH 2.93Å; L1725-Y1770 HydrophobicContact CD1-CD2 3.59Å; L1725-Y1770 HydrophobicContact CD1-CE2 3.79Å; D1766-Y1770 HydrophobicContact CB-CD2 4.42Å; D1766-Y1770 HydrophobicContact CB-CE2 4.21Å; D1766-Y1770 WeakPolarHBondContact O-CD2 3.42Å; D1766-Y1770 PolarHBondContact O-N 2.92Å; S1767-Y1770 PolarHBondContact O-N 3.16Å; Y1770-Q1773 PolarHBondContact O-N 3.4Å; Y1770-G1774 PolarHBondContact O-N 2.87Å |
| 1771 | L | 94.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -67.4 | -38.5 | 173.2 | -69.7 | 169.5 | 0 | 0 | 0 | 111.9 | T1719 Y1723 S1767 F1768 G1774 T1775 D1776 H1779 A1780 I1783 | T1719-L1771 HydrophobicContact CG2-CD2 4.32Å; Y1723-L1771 HydrophobicContact CD2-CD2 4.03Å; Y1723-L1771 HydrophobicContact CE2-CD2 3.83Å; S1767-L1771 WeakPolarHBondContact O-CB 3.47Å; S1767-L1771 VanDerWaalsContact O-CG 3.28Å; S1767-L1771 WeakPolarHBondContact O-CG 3.37Å; S1767-L1771 PolarHBondContact O-N 2.91Å; F1768-L1771 PolarHBondContact O-N 3.14Å; L1771-G1774 CarbonylContact O-C 3.55Å; L1771-G1774 PolarHBondContact O-N 3.22Å; L1771-T1775 PolarHBondContact O-N 2.78Å; L1771-T1775 VanDerWaalsContact O-N 3.17Å; L1771-D1776 HydrophobicContact CD2-CB 4.19Å; L1771-D1776 PolarHBondContact O-N 3.41Å; L1771-H1779 HydrophobicContact CD1-CB 4.41Å; L1771-A1780 HydrophobicContact CB-CB 3.93Å; L1771-I1783 HydrophobicContact CD1-CG1 3.66Å |
| 1772 | K | 92.2 | Very high | 93.7 | Very high | 61 Ų | 61 | 25 Ų | 25 | 27% | 0.265 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -59.4 | -48.8 | 173.4 | -170.8 | 168.7 | 91.2 | -163 | 0 | 111.1 | F1768 E1769 G1774 T1775 W1777 E1807 L1811 | F1768-K1772 WeakPolarHBondContact O-CB 3.42Å; F1768-K1772 PolarHBondContact O-N 3.12Å; E1769-K1772 WeakPolarHBondContact O-CB 3.42Å; E1769-K1772 PolarHBondContact O-N 2.77Å; E1769-K1772 IonicContact OE1-NZ 3.46Å; E1769-K1772 PolarHBondContact OE1-NZ 2.95Å; E1769-K1772 VanDerWaalsContact OE2-CE 3.31Å; E1769-K1772 WeakPolarHBondContact OE2-CE 3.41Å; E1769-K1772 IonicContact OE2-NZ 3.81Å; E1769-K1772 PolarHBondContact OE2-NZ 2.81Å; K1772-G1774 VanDerWaalsContact C-N 3.31Å; K1772-G1774 PolarHBondContact O-N 2.92Å; K1772-T1775 PolarHBondContact O-N 3.41Å; K1772-W1777 PolarHBondContact O-NE1 2.97Å; K1772-E1807 IonicContact NZ-OE2 3.36Å; K1772-E1807 PolarHBondContact NZ-OE2 3.27Å; K1772-L1811 HydrophobicContact CD-CD2 4.25Å; K1772-L1811 HydrophobicContact CG-CD2 4.17Å |
| 1773 | Q | 90 | Very high | 93.7 | Very high | 68 Ų | 68 | 21.8 Ų | 21.8 | 32% | 0.318 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -67 | -30.6 | 176.2 | -66.6 | 178.1 | 33.3 | 0 | 0 | 113.1 | K1718 E1769 Y1770 T1775 | K1718-Q1773 HydrophobicContact CD-CB 3.65Å; E1769-Q1773 VanDerWaalsContact O-CG 3.31Å; E1769-Q1773 WeakPolarHBondContact O-CG 3.48Å; E1769-Q1773 PolarHBondContact O-N 3.32Å; Y1770-Q1773 PolarHBondContact O-N 3.4Å; Q1773-T1775 VanDerWaalsContact C-N 3.25Å; Q1773-T1775 PolarHBondContact O-N 3.44Å |
| 1774 | G | 89.5 | Confident | 93.7 | Very high | 2 Ų | 2 | 21.8 Ų | 21.8 | 2% | 0.021 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | 1.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | T1719 Y1770 L1771 K1772 D1776 | T1719-G1774 PolarHBondContact OG1-O 3.43Å; Y1770-G1774 PolarHBondContact O-N 2.87Å; L1771-G1774 CarbonylContact O-C 3.55Å; L1771-G1774 PolarHBondContact O-N 3.22Å; K1772-G1774 VanDerWaalsContact C-N 3.31Å; K1772-G1774 PolarHBondContact O-N 2.92Å; G1774-D1776 PolarHBondContact O-N 2.92Å |
| 1775 | T | 89.1 | Confident | 93.6 | Very high | 20 Ų | 20 | 25.2 Ų | 25.2 | 12% | 0.123 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | 21.6 | -177.3 | 69.1 | 0 | 0 | 0 | 0 | 115.4 | L1771 K1772 Q1773 W1777 R1822 L1823 | L1771-T1775 PolarHBondContact O-N 2.78Å; L1771-T1775 VanDerWaalsContact O-N 3.17Å; K1772-T1775 PolarHBondContact O-N 3.41Å; Q1773-T1775 VanDerWaalsContact C-N 3.25Å; Q1773-T1775 PolarHBondContact O-N 3.44Å; T1775-W1777 HydrophobicContact CG2-CZ2 4.34Å; T1775-W1777 PolarHBondContact O-N 3.32Å; T1775-R1822 PolarHBondContact O-NH1 2.68Å; T1775-L1823 HydrophobicContact CG2-CD1 4.15Å; T1775-L1823 HydrophobicContact CG2-CG 3.93Å; T1775-L1823 PolarHBondContact OG1-N 3.46Å |
| 1776 | D | 90.8 | Very high | 93.5 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.011 | 12% | 0.123 | C | C | . | . | trans | -98.3 | 61.5 | 175 | -164.8 | 7.1 | 0 | 0 | 0 | 110.8 | T1719 Y1723 L1771 G1774 E1778 H1779 A1780 Y1918 | T1719-D1776 HydrophobicContact CG2-CB 4.07Å; Y1723-D1776 WeakPolarHBondContact CE2-OD2 3.4Å; Y1723-D1776 PolarHBondContact OH-OD2 2.96Å; L1771-D1776 HydrophobicContact CD2-CB 4.19Å; L1771-D1776 PolarHBondContact O-N 3.41Å; G1774-D1776 PolarHBondContact O-N 2.92Å; D1776-E1778 VanDerWaalsContact C-N 3.34Å; D1776-E1778 PolarHBondContact O-N 3.49Å; D1776-H1779 PolarHBondContact O-N 3.43Å; D1776-A1780 PolarHBondContact O-N 3.42Å; D1776-Y1918 WeakPolarHBondContact OD1-CE2 3.48Å; D1776-Y1918 VanDerWaalsContact OD1-CZ 3.27Å; D1776-Y1918 PolarHBondContact OD1-OH 2.82Å | ||
| 1777 | W | 92.1 | Very high | 93.5 | Very high | 12 Ų | 12 | 25.1 Ų | 25.1 | 5% | 0.045 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.7 | -33.5 | -171.7 | -53.4 | -40.7 | 0 | 0 | 0 | 113.6 | K1772 T1775 H1779 A1780 I1781 L1811 T1814 I1815 H1820 R1822 | K1772-W1777 PolarHBondContact O-NE1 2.97Å; T1775-W1777 HydrophobicContact CG2-CZ2 4.34Å; T1775-W1777 PolarHBondContact O-N 3.32Å; W1777-H1779 VanDerWaalsContact C-N 3.3Å; W1777-H1779 PolarHBondContact O-N 2.74Å; W1777-A1780 PolarHBondContact O-N 3.33Å; W1777-I1781 VanDerWaalsContact O-CG1 3.28Å; W1777-I1781 WeakPolarHBondContact O-CG1 3.47Å; W1777-I1781 PolarHBondContact O-N 3.14Å; W1777-L1811 HydrophobicContact CB-CD2 4.18Å; W1777-L1811 HydrophobicContact CG-CD2 4.11Å; W1777-T1814 HydrophobicContact CD2-CG2 4.31Å; W1777-T1814 HydrophobicContact CE3-CG2 4.18Å; W1777-T1814 HydrophobicContact CH2-CG2 3.77Å; W1777-T1814 HydrophobicContact CZ2-CG2 3.87Å; W1777-T1814 HydrophobicContact CZ3-CG2 3.92Å; W1777-I1815 HydrophobicContact CB-CD1 4.13Å; W1777-I1815 HydrophobicContact CB-CG1 4.09Å; W1777-I1815 HydrophobicContact CE3-CG1 3.81Å; W1777-H1820 HydrophobicContact CH2-CB 4.1Å; W1777-H1820 WeakPolarHBondContact CH2-O 3.26Å; W1777-H1820 HydrophobicContact CZ2-CB 4.07Å; W1777-R1822 VanDerWaalsContact CE3-CZ 3.41Å; W1777-R1822 HydrophobicContact CH2-CG 3.89Å; W1777-R1822 HydrophobicContact CZ3-CG 3.87Å |
| 1778 | E | 91.2 | Very high | 93.4 | Very high | 21 Ų | 21 | 25.8 Ų | 25.8 | 10% | 0.098 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.6 | -44.5 | 175.9 | -74.7 | 76.5 | -177.9 | 0 | 0 | 110.9 | D1776 I1781 D1782 R1822 Y1918 | D1776-E1778 VanDerWaalsContact C-N 3.34Å; D1776-E1778 PolarHBondContact O-N 3.49Å; E1778-I1781 WeakPolarHBondContact O-CB 3.5Å; E1778-I1781 PolarHBondContact O-N 2.93Å; E1778-D1782 PolarHBondContact O-N 3.48Å; E1778-R1822 IonicContact OE1-CZ 2.89Å; E1778-R1822 IonicContact OE1-NH1 3.86Å; E1778-R1822 IonicContact OE1-NH2 2.61Å; E1778-R1822 PolarHBondContact OE1-NH2 2.87Å; E1778-R1822 IonicContact OE2-CZ 3.57Å; E1778-R1822 VanDerWaalsContact OE2-CZ 3.29Å; E1778-R1822 IonicContact OE2-NH1 3.81Å; E1778-R1822 PolarHBondContact OE2-NH1 3.43Å; E1778-R1822 IonicContact OE2-NH2 3.82Å; E1778-R1822 PolarHBondContact OE2-NH2 3.39Å; E1778-Y1918 HydrophobicContact CB-CD1 4.18Å; E1778-Y1918 HydrophobicContact CB-CD2 4.46Å; E1778-Y1918 HydrophobicContact CB-CE1 3.79Å; E1778-Y1918 HydrophobicContact CB-CE2 4.07Å; E1778-Y1918 HydrophobicContact CB-CG 4.5Å; E1778-Y1918 HydrophobicContact CG-CD1 3.7Å; E1778-Y1918 HydrophobicContact CG-CD2 4.03Å; E1778-Y1918 HydrophobicContact CG-CE1 3.86Å; E1778-Y1918 HydrophobicContact CG-CE2 4.15Å; E1778-Y1918 HydrophobicContact CG-CG 3.79Å; E1778-Y1918 WeakPolarHBondContact OE1-CB 3.26Å; E1778-Y1918 WeakPolarHBondContact OE2-CD2 3.38Å; E1778-Y1918 VanDerWaalsContact OE2-CE2 3.27Å; E1778-Y1918 WeakPolarHBondContact OE2-CE2 3.19Å |
| 1779 | H | 92.8 | Very high | 93.3 | Very high | 9 Ų | 9 | 29.7 Ų | 29.7 | 4% | 0.042 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -77.9 | -32.4 | 177.1 | -163.6 | 42.3 | 0 | 0 | 0 | 113 | Y1723 E1726 L1771 D1776 W1777 I1781 D1782 I1783 R1923 | Y1723-H1779 AromaticContact CD1-CD2 3.86Å; Y1723-H1779 AromaticContact CD1-NE2 3.64Å; Y1723-H1779 AromaticContact CE1-CD2 3.22Å; Y1723-H1779 WeakPolarHBondContact CE1-CD2 3.47Å; Y1723-H1779 AromaticContact CE1-NE2 3.23Å; Y1723-H1779 WeakPolarHBondContact CE1-NE2 3.46Å; Y1723-H1779 AromaticContact CE2-CD2 3.93Å; Y1723-H1779 AromaticContact CZ-CD2 3.23Å; Y1723-H1779 AromaticContact CZ-CG 3.91Å; Y1723-H1779 AromaticContact CZ-NE2 3.79Å; Y1723-H1779 PolarHBondContact OH-CD2 3.29Å; E1726-H1779 IonicContact OE1-CE1 2.65Å; E1726-H1779 IonicContact OE1-NE2 2.87Å; E1726-H1779 IonicContact OE2-CE1 2.97Å; E1726-H1779 IonicContact OE2-NE2 2.73Å; E1726-H1779 PolarHBondContact OE2-NE2 2.99Å; L1771-H1779 HydrophobicContact CD1-CB 4.41Å; D1776-H1779 PolarHBondContact O-N 3.43Å; W1777-H1779 VanDerWaalsContact C-N 3.3Å; W1777-H1779 PolarHBondContact O-N 2.74Å; H1779-I1781 PolarHBondContact O-N 3Å; H1779-D1782 IonicContact CE1-OD2 3.34Å; H1779-D1782 IonicContact CG-OD2 3.42Å; H1779-D1782 IonicContact ND1-OD2 2.68Å; H1779-D1782 PolarHBondContact ND1-OD2 3.46Å; H1779-D1782 WeakPolarHBondContact O-CA 3.17Å; H1779-D1782 WeakPolarHBondContact O-CB 3.25Å; H1779-D1782 PolarHBondContact O-N 2.74Å; H1779-I1783 PolarHBondContact O-N 3.25Å; H1779-R1923 PolarHBondContact CE1-NH2 2.7Å; H1779-R1923 PolarHBondContact ND1-NH2 3.13Å |
| 1780 | A | 94.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -57.8 | -34.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | F1768 L1771 D1776 W1777 I1783 S1784 L1811 | F1768-A1780 HydrophobicContact CD2-CB 4.05Å; F1768-A1780 VanDerWaalsContact CD2-O 3.27Å; F1768-A1780 WeakPolarHBondContact CD2-O 3.38Å; F1768-A1780 HydrophobicContact CE2-CB 4.09Å; F1768-A1780 WeakPolarHBondContact CE2-O 3.48Å; L1771-A1780 HydrophobicContact CB-CB 3.93Å; D1776-A1780 PolarHBondContact O-N 3.42Å; W1777-A1780 PolarHBondContact O-N 3.33Å; A1780-I1783 PolarHBondContact O-N 3.18Å; A1780-S1784 WeakPolarHBondContact O-CB 3.46Å; A1780-S1784 PolarHBondContact O-N 3.03Å; A1780-L1811 HydrophobicContact CB-CD1 3.95Å |
| 1781 | I | 94.2 | Very high | 93.1 | Very high | 11 Ų | 11 | 24.6 Ų | 24.6 | 6% | 0.056 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65 | -40.5 | 172.5 | -71.3 | 160.8 | 0 | 0 | 0 | 111.1 | W1777 E1778 H1779 I1783 S1784 N1785 L1811 Y1812 I1815 | W1777-I1781 VanDerWaalsContact O-CG1 3.28Å; W1777-I1781 WeakPolarHBondContact O-CG1 3.47Å; W1777-I1781 PolarHBondContact O-N 3.14Å; E1778-I1781 WeakPolarHBondContact O-CB 3.5Å; E1778-I1781 PolarHBondContact O-N 2.93Å; H1779-I1781 PolarHBondContact O-N 3Å; I1781-I1783 VanDerWaalsContact C-N 3.33Å; I1781-I1783 PolarHBondContact O-N 2.6Å; I1781-S1784 WeakPolarHBondContact CA-OG 3.44Å; I1781-S1784 PolarHBondContact O-N 3.25Å; I1781-S1784 PolarHBondContact O-OG 2.94Å; I1781-N1785 PolarHBondContact O-N 2.91Å; I1781-N1785 PolarHBondContact O-ND2 3.43Å; I1781-L1811 HydrophobicContact CD1-CB 4.19Å; I1781-L1811 HydrophobicContact CG1-CB 4.04Å; I1781-L1811 HydrophobicContact CG1-CD1 4.08Å; I1781-Y1812 HydrophobicContact CD1-CD1 3.83Å; I1781-Y1812 HydrophobicContact CD1-CE1 3.71Å; I1781-Y1812 HydrophobicContact CD1-CG 4.34Å; I1781-Y1812 HydrophobicContact CG2-CE1 4.28Å; I1781-Y1812 HydrophobicContact CG2-CE2 4.43Å; I1781-Y1812 WeakPolarHBondContact CG2-OH 3.38Å; I1781-I1815 HydrophobicContact CD1-CD1 3.56Å |
| 1782 | D | 93.5 | Very high | 93.1 | Very high | 72 Ų | 72 | 31 Ų | 31 | 39% | 0.385 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -59.7 | -43.4 | 173.7 | -58.7 | -34 | 0 | 0 | 0 | 111.9 | E1778 H1779 N1785 K1786 R1923 | E1778-D1782 PolarHBondContact O-N 3.48Å; H1779-D1782 IonicContact CE1-OD2 3.34Å; H1779-D1782 IonicContact CG-OD2 3.42Å; H1779-D1782 IonicContact ND1-OD2 2.68Å; H1779-D1782 PolarHBondContact ND1-OD2 3.46Å; H1779-D1782 WeakPolarHBondContact O-CA 3.17Å; H1779-D1782 WeakPolarHBondContact O-CB 3.25Å; H1779-D1782 PolarHBondContact O-N 2.74Å; D1782-N1785 WeakPolarHBondContact O-CB 3.46Å; D1782-N1785 PolarHBondContact O-N 3Å; D1782-K1786 PolarHBondContact O-N 3.48Å; D1782-R1923 IonicContact OD2-NH2 3.32Å |
| 1783 | I | 95.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.5 | -42.5 | 174.5 | -58.2 | -55.3 | 0 | 0 | 0 | 110.9 | E1726 L1764 F1768 L1771 H1779 A1780 I1781 N1785 K1786 L1787 | E1726-I1783 HydrophobicContact CB-CD1 4.07Å; E1726-I1783 VanDerWaalsContact CD-CD1 3.42Å; E1726-I1783 HydrophobicContact CG-CD1 3.6Å; E1726-I1783 VanDerWaalsContact OE1-CD1 3.23Å; E1726-I1783 WeakPolarHBondContact OE1-CD1 3.11Å; L1764-I1783 HydrophobicContact CB-CG2 4.3Å; L1764-I1783 HydrophobicContact CD2-CD1 4.25Å; L1764-I1783 HydrophobicContact CD2-CG2 4.08Å; L1764-I1783 WeakPolarHBondContact O-CG2 3.06Å; F1768-I1783 HydrophobicContact CB-CG2 3.91Å; L1771-I1783 HydrophobicContact CD1-CG1 3.66Å; H1779-I1783 PolarHBondContact O-N 3.25Å; A1780-I1783 PolarHBondContact O-N 3.18Å; I1781-I1783 VanDerWaalsContact C-N 3.33Å; I1781-I1783 PolarHBondContact O-N 2.6Å; I1783-N1785 PolarHBondContact O-N 3.06Å; I1783-K1786 HydrophobicContact CD1-CD 4.41Å; I1783-K1786 WeakPolarHBondContact O-CB 3.44Å; I1783-K1786 PolarHBondContact O-N 3.11Å; I1783-L1787 HydrophobicContact CG2-CD1 4.36Å; I1783-L1787 PolarHBondContact O-N 3.28Å |
| 1784 | S | 94.9 | Very high | 93 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.5 | -34.4 | 176 | 77.7 | 0 | 0 | 0 | 0 | 112 | A1780 I1781 L1787 I1788 Q1808 | A1780-S1784 WeakPolarHBondContact O-CB 3.46Å; A1780-S1784 PolarHBondContact O-N 3.03Å; I1781-S1784 WeakPolarHBondContact CA-OG 3.44Å; I1781-S1784 PolarHBondContact O-N 3.25Å; I1781-S1784 PolarHBondContact O-OG 2.94Å; S1784-L1787 PolarHBondContact O-N 2.98Å; S1784-I1788 WeakPolarHBondContact O-CB 3.15Å; S1784-I1788 WeakPolarHBondContact O-CD1 3.42Å; S1784-I1788 WeakPolarHBondContact O-CG1 3.42Å; S1784-I1788 PolarHBondContact O-N 3.35Å; S1784-Q1808 PolarHBondContact OG-NE2 3.31Å |
| 1785 | N | 95.3 | Very high | 92.8 | Very high | 73 Ų | 73 | 33.5 Ų | 33.5 | 39% | 0.39 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -67.6 | -38.6 | 174.8 | -68.5 | -37.5 | 0 | 0 | 0 | 112.1 | I1781 D1782 I1783 L1787 I1788 H1789 Q1808 | I1781-N1785 PolarHBondContact O-N 2.91Å; I1781-N1785 PolarHBondContact O-ND2 3.43Å; D1782-N1785 WeakPolarHBondContact O-CB 3.46Å; D1782-N1785 PolarHBondContact O-N 3Å; I1783-N1785 PolarHBondContact O-N 3.06Å; N1785-L1787 VanDerWaalsContact C-N 3.33Å; N1785-I1788 PolarHBondContact O-N 3.49Å; N1785-H1789 PolarHBondContact O-N 3.49Å; N1785-Q1808 PolarHBondContact OD1-NE2 2.8Å |
| 1786 | K | 94.5 | Very high | 92.7 | Very high | 59 Ų | 59 | 36.5 Ų | 36.5 | 26% | 0.257 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -61.5 | -40.9 | 172 | -67.3 | 179.4 | 173.7 | -179.3 | 0 | 111.2 | E1726 E1730 L1764 D1782 I1783 L1790 | E1726-K1786 IonicContact OE1-NZ 3Å; E1726-K1786 PolarHBondContact OE1-NZ 3.06Å; E1730-K1786 IonicContact OE1-NZ 3.62Å; E1730-K1786 PolarHBondContact OE1-NZ 3.36Å; L1764-K1786 HydrophobicContact CD2-CD 4.27Å; D1782-K1786 PolarHBondContact O-N 3.48Å; I1783-K1786 HydrophobicContact CD1-CD 4.41Å; I1783-K1786 WeakPolarHBondContact O-CB 3.44Å; I1783-K1786 PolarHBondContact O-N 3.11Å; K1786-L1790 PolarHBondContact O-N 3.39Å |
| 1787 | L | 94.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -71.3 | -36.3 | 175.6 | -70.5 | 169 | 0 | 0 | 0 | 113.1 | L1764 L1765 I1783 S1784 N1785 H1789 L1790 Y1791 I1804 | L1764-L1787 HydrophobicContact CB-CD2 3.82Å; L1764-L1787 HydrophobicContact CB-CG 4.2Å; L1765-L1787 HydrophobicContact CD2-CD1 3.8Å; L1765-L1787 HydrophobicContact CD2-CD2 4.36Å; L1765-L1787 HydrophobicContact CG-CD1 4.37Å; L1765-L1787 HydrophobicContact CG-CD2 4.28Å; I1783-L1787 HydrophobicContact CG2-CD1 4.36Å; I1783-L1787 PolarHBondContact O-N 3.28Å; S1784-L1787 PolarHBondContact O-N 2.98Å; N1785-L1787 VanDerWaalsContact C-N 3.33Å; L1787-H1789 VanDerWaalsContact C-N 3.35Å; L1787-L1790 WeakPolarHBondContact O-CB 3.4Å; L1787-L1790 PolarHBondContact O-N 3.07Å; L1787-Y1791 HydrophobicContact CB-CE2 4.27Å; L1787-Y1791 VanDerWaalsContact O-CD2 3.31Å; L1787-Y1791 WeakPolarHBondContact O-CD2 3.33Å; L1787-Y1791 PolarHBondContact O-N 2.65Å; L1787-I1804 HydrophobicContact CB-CG1 4.16Å; L1787-I1804 HydrophobicContact CD1-CD1 3.85Å; L1787-I1804 HydrophobicContact CD1-CG1 4.4Å |
| 1788 | I | 94.8 | Very high | 92.7 | Very high | 15 Ų | 15 | 46.2 Ų | 46.2 | 8% | 0.077 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.8 | -43.6 | 173.9 | -74.7 | 161.9 | 0 | 0 | 0 | 110.4 | S1784 N1785 L1790 Y1791 R1792 L1801 I1804 L1805 | S1784-I1788 WeakPolarHBondContact O-CB 3.15Å; S1784-I1788 WeakPolarHBondContact O-CD1 3.42Å; S1784-I1788 WeakPolarHBondContact O-CG1 3.42Å; S1784-I1788 PolarHBondContact O-N 3.35Å; N1785-I1788 PolarHBondContact O-N 3.49Å; I1788-L1790 VanDerWaalsContact C-N 3.28Å; I1788-L1790 PolarHBondContact O-N 3.28Å; I1788-Y1791 PolarHBondContact O-N 2.69Å; I1788-R1792 WeakPolarHBondContact O-CB 3.5Å; I1788-R1792 PolarHBondContact O-N 3.38Å; I1788-L1801 HydrophobicContact CB-CD1 4.22Å; I1788-L1801 HydrophobicContact CG1-CD1 4.08Å; I1788-L1801 HydrophobicContact CG2-CD1 3.87Å; I1788-I1804 HydrophobicContact CD1-CG2 4.47Å; I1788-I1804 HydrophobicContact CG1-CG2 3.58Å; I1788-L1805 HydrophobicContact CD1-CD2 3.66Å; I1788-L1805 HydrophobicContact CD1-CG 4.41Å; I1788-L1805 HydrophobicContact CG1-CD2 4.21Å |
| 1789 | H | 93.9 | Very high | 92.8 | Very high | 86 Ų | 86 | 51.9 Ų | 51.9 | 40% | 0.398 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.1 | -41 | 174 | 178.3 | -90.2 | 0 | 0 | 0 | 111.5 | N1785 L1787 D1793 I1794 | N1785-H1789 PolarHBondContact O-N 3.49Å; L1787-H1789 VanDerWaalsContact C-N 3.35Å; H1789-D1793 IonicContact CD2-OD2 2.68Å; H1789-D1793 PolarHBondContact CD2-OD2 3.04Å; H1789-D1793 IonicContact CG-OD2 3.83Å; H1789-D1793 IonicContact NE2-OD2 3.28Å; H1789-D1793 WeakPolarHBondContact O-CB 3.35Å; H1789-D1793 PolarHBondContact O-N 3.49Å; H1789-I1794 PolarHBondContact O-N 3.26Å |
| 1790 | L | 92.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | I | π-helix | trans | -58.2 | -56.3 | 172.2 | 173.9 | 67.5 | 0 | 0 | 0 | 111.3 | W1734 R1757 E1761 K1786 L1787 I1788 R1792 I1794 M1795 | W1734-L1790 HydrophobicContact CD2-CD1 4.11Å; W1734-L1790 HydrophobicContact CE3-CD1 3.59Å; W1734-L1790 HydrophobicContact CE3-CD2 4.36Å; W1734-L1790 HydrophobicContact CE3-CG 4.43Å; W1734-L1790 HydrophobicContact CH2-CB 3.96Å; W1734-L1790 HydrophobicContact CH2-CD1 4.16Å; W1734-L1790 HydrophobicContact CH2-CD2 3.75Å; W1734-L1790 HydrophobicContact CH2-CG 4.16Å; W1734-L1790 HydrophobicContact CZ2-CB 4.26Å; W1734-L1790 HydrophobicContact CZ3-CB 4.29Å; W1734-L1790 HydrophobicContact CZ3-CD1 3.62Å; W1734-L1790 HydrophobicContact CZ3-CD2 3.53Å; W1734-L1790 HydrophobicContact CZ3-CG 3.99Å; R1757-L1790 HydrophobicContact CG-CD1 4.06Å; E1761-L1790 HydrophobicContact CB-CD2 3.83Å; E1761-L1790 HydrophobicContact CG-CD2 3.64Å; K1786-L1790 PolarHBondContact O-N 3.39Å; L1787-L1790 WeakPolarHBondContact O-CB 3.4Å; L1787-L1790 PolarHBondContact O-N 3.07Å; I1788-L1790 VanDerWaalsContact C-N 3.28Å; I1788-L1790 PolarHBondContact O-N 3.28Å; L1790-R1792 VanDerWaalsContact C-N 3.29Å; L1790-R1792 PolarHBondContact O-N 3.48Å; L1790-I1794 HydrophobicContact CD1-CB 4.1Å; L1790-I1794 HydrophobicContact CD1-CG2 4.04Å; L1790-I1794 PolarHBondContact O-N 2.69Å; L1790-M1795 HydrophobicContact CD1-CB 4.28Å; L1790-M1795 CarbonylContact O-C 3.58Å; L1790-M1795 PolarHBondContact O-N 3.42Å |
| 1791 | Y | 95.3 | Very high | 92.7 | Very high | 6 Ų | 6 | 57 Ų | 57 | 2% | 0.024 | 27% | 0.268 | C | S | . | . | I | π-helix | trans | -76.1 | -12.6 | -172.9 | -57.7 | -40.2 | 0 | 0 | 0 | 115.1 | E1761 L1787 I1788 M1795 P1796 N1797 R1800 I1804 | E1761-Y1791 HydrophobicContact CG-CE1 4.45Å; E1761-Y1791 VanDerWaalsContact OE1-CE1 3.28Å; E1761-Y1791 WeakPolarHBondContact OE1-CE1 3.42Å; E1761-Y1791 PolarHBondContact OE1-OH 2.81Å; L1787-Y1791 HydrophobicContact CB-CE2 4.27Å; L1787-Y1791 VanDerWaalsContact O-CD2 3.31Å; L1787-Y1791 WeakPolarHBondContact O-CD2 3.33Å; L1787-Y1791 PolarHBondContact O-N 2.65Å; I1788-Y1791 PolarHBondContact O-N 2.69Å; Y1791-M1795 CarbonylContact C-O 3.47Å; Y1791-M1795 WeakPolarHBondContact CA-O 3.1Å; Y1791-M1795 HydrophobicContact CD1-CE 4.22Å; Y1791-M1795 HydrophobicContact CE1-CE 4.26Å; Y1791-P1796 CarbonylContact O-C 3.57Å; Y1791-P1796 VanDerWaalsContact O-CA 3.26Å; Y1791-P1796 WeakPolarHBondContact O-CA 3.44Å; Y1791-N1797 HydrophobicContact CD1-CB 4.44Å; Y1791-N1797 PolarHBondContact O-N 3.45Å; Y1791-R1800 HydrophobicContact CD1-CB 4Å; Y1791-R1800 HydrophobicContact CD2-CB 3.86Å; Y1791-R1800 HydrophobicContact CE1-CB 3.96Å; Y1791-R1800 HydrophobicContact CE1-CG 4.43Å; Y1791-R1800 HydrophobicContact CE2-CB 3.81Å; Y1791-R1800 HydrophobicContact CG-CB 3.96Å; Y1791-I1804 HydrophobicContact CD2-CB 4.5Å; Y1791-I1804 HydrophobicContact CD2-CG2 3.98Å; Y1791-I1804 HydrophobicContact CE2-CB 4.39Å; Y1791-I1804 HydrophobicContact CE2-CG2 4.36Å |
| 1792 | R | 93.5 | Very high | 92.7 | Very high | 133 Ų | 133 | 58.8 Ų | 58.8 | 50% | 0.502 | 28% | 0.281 | S | S | . | . | I | π-helix | trans | -101.7 | -47.8 | 178.6 | -170.6 | -175.3 | 67.9 | -161.8 | -7.1 | 112.4 | I1788 L1790 L1801 | I1788-R1792 WeakPolarHBondContact O-CB 3.5Å; I1788-R1792 PolarHBondContact O-N 3.38Å; L1790-R1792 VanDerWaalsContact C-N 3.29Å; L1790-R1792 PolarHBondContact O-N 3.48Å; R1792-L1801 HydrophobicContact CB-CD1 4.45Å; R1792-L1801 HydrophobicContact CB-CD2 4.2Å; R1792-L1801 HydrophobicContact CG-CD2 4.41Å |
| 1793 | D | 92.4 | Very high | 92.8 | Very high | 80 Ų | 80 | 60.4 Ų | 60.4 | 43% | 0.428 | 29% | 0.286 | S | S | . | . | I | π-helix | trans | -106.4 | -37.1 | -164.2 | -54.7 | -36.3 | 0 | 0 | 0 | 112.3 | H1789 | H1789-D1793 IonicContact CD2-OD2 2.68Å; H1789-D1793 PolarHBondContact CD2-OD2 3.04Å; H1789-D1793 IonicContact CG-OD2 3.83Å; H1789-D1793 IonicContact NE2-OD2 3.28Å; H1789-D1793 WeakPolarHBondContact O-CB 3.35Å; H1789-D1793 PolarHBondContact O-N 3.49Å |
| 1794 | I | 87.8 | Confident | 92.7 | Very high | 64 Ų | 64 | 60.9 Ų | 60.9 | 33% | 0.328 | 29% | 0.289 | S | S | . | . | I | π-helix | trans | -94.2 | -50 | -175.7 | -60.6 | 175 | 0 | 0 | 0 | 111.8 | W1734 H1789 L1790 | W1734-I1794 HydrophobicContact CB-CD1 3.8Å; W1734-I1794 HydrophobicContact CB-CG2 4.04Å; W1734-I1794 HydrophobicContact CD2-CD1 4.01Å; W1734-I1794 HydrophobicContact CG-CD1 3.45Å; W1734-I1794 VanDerWaalsContact CG-CD1 3.45Å; H1789-I1794 PolarHBondContact O-N 3.26Å; L1790-I1794 HydrophobicContact CD1-CB 4.1Å; L1790-I1794 HydrophobicContact CD1-CG2 4.04Å; L1790-I1794 PolarHBondContact O-N 2.69Å |
| 1795 | M | 85.4 | Confident | 92.7 | Very high | 41 Ų | 41 | 64.5 Ų | 64.5 | 20% | 0.202 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -131.6 | 83.8 | -179.7 | -173.9 | -176.6 | 74.4 | 0 | 0 | 108.7 | L1790 Y1791 N1797 | L1790-M1795 HydrophobicContact CD1-CB 4.28Å; L1790-M1795 CarbonylContact O-C 3.58Å; L1790-M1795 PolarHBondContact O-N 3.42Å; Y1791-M1795 CarbonylContact C-O 3.47Å; Y1791-M1795 WeakPolarHBondContact CA-O 3.1Å; Y1791-M1795 HydrophobicContact CD1-CE 4.22Å; Y1791-M1795 HydrophobicContact CE1-CE 4.26Å; M1795-N1797 PolarHBondContact O-N 2.94Å |
| 1796 | P | 87.9 | Confident | 92.7 | Very high | 83 Ų | 83 | 67.6 Ų | 67.6 | 54% | 0.539 | 32% | 0.318 | S | S | . | . | trans | -54.8 | 100.2 | -178.3 | -27.2 | 36 | 0 | 0 | 0 | 112.1 | Y1791 | Y1791-P1796 CarbonylContact O-C 3.57Å; Y1791-P1796 VanDerWaalsContact O-CA 3.26Å; Y1791-P1796 WeakPolarHBondContact O-CA 3.44Å | ||
| 1797 | N | 90.8 | Very high | 92.7 | Very high | 44 Ų | 44 | 67.6 Ų | 67.6 | 24% | 0.235 | 32% | 0.319 | C | S | . | . | trans | -129.8 | 90.2 | 177.1 | -175.1 | -28.6 | 0 | 0 | 0 | 107.9 | Y1791 M1795 E1799 R1800 L1801 | Y1791-N1797 HydrophobicContact CD1-CB 4.44Å; Y1791-N1797 PolarHBondContact O-N 3.45Å; M1795-N1797 PolarHBondContact O-N 2.94Å; N1797-E1799 PolarHBondContact O-N 2.96Å; N1797-E1799 PolarHBondContact OD1-N 3.31Å; N1797-R1800 HydrophobicContact CB-CB 4.34Å; N1797-R1800 PolarHBondContact O-N 2.87Å; N1797-R1800 PolarHBondContact OD1-N 3.2Å; N1797-L1801 WeakPolarHBondContact O-CB 2.92Å; N1797-L1801 PolarHBondContact O-N 2.82Å | ||
| 1798 | Y | 91.5 | Very high | 92.7 | Very high | 174 Ų | 174 | 68.5 Ų | 68.5 | 68% | 0.682 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -65.6 | -24.4 | -174.9 | -63.6 | -68.6 | 0 | 0 | 0 | 113.5 | L1801 S1802 | Y1798-L1801 HydrophobicContact CD1-CD2 4.13Å; Y1798-S1802 WeakPolarHBondContact O-CB 3.2Å; Y1798-S1802 PolarHBondContact O-N 2.63Å |
| 1799 | E | 93.3 | Very high | 92.6 | Very high | 140 Ų | 140 | 70.6 Ų | 70.6 | 65% | 0.654 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -69.7 | -56.4 | 175.9 | -174.5 | 171.8 | -160.9 | 0 | 0 | 110.5 | N1797 L1801 S1802 E1803 | N1797-E1799 PolarHBondContact O-N 2.96Å; N1797-E1799 PolarHBondContact OD1-N 3.31Å; E1799-L1801 VanDerWaalsContact C-N 3.28Å; E1799-L1801 PolarHBondContact O-N 3.31Å; E1799-S1802 WeakPolarHBondContact O-CA 3.18Å; E1799-S1802 WeakPolarHBondContact O-CB 3.35Å; E1799-S1802 PolarHBondContact O-N 2.86Å; E1799-S1802 PolarHBondContact O-OG 2.85Å; E1799-E1803 PolarHBondContact O-N 3.14Å |
| 1800 | R | 92.2 | Very high | 92.5 | Very high | 99 Ų | 99 | 70.6 Ų | 70.6 | 37% | 0.374 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.3 | -36.8 | 174.6 | -71.1 | -170.7 | -179.7 | 168 | 3.3 | 112.3 | E1761 Y1791 N1797 S1802 E1803 I1804 | E1761-R1800 IonicContact OE1-CZ 3.07Å; E1761-R1800 IonicContact OE1-NE 3.89Å; E1761-R1800 IonicContact OE1-NH1 2.82Å; E1761-R1800 PolarHBondContact OE1-NH1 3.09Å; E1761-R1800 IonicContact OE2-NH1 2.89Å; E1761-R1800 PolarHBondContact OE2-NH1 2.87Å; Y1791-R1800 HydrophobicContact CD1-CB 4Å; Y1791-R1800 HydrophobicContact CD2-CB 3.86Å; Y1791-R1800 HydrophobicContact CE1-CB 3.96Å; Y1791-R1800 HydrophobicContact CE1-CG 4.43Å; Y1791-R1800 HydrophobicContact CE2-CB 3.81Å; Y1791-R1800 HydrophobicContact CG-CB 3.96Å; N1797-R1800 HydrophobicContact CB-CB 4.34Å; N1797-R1800 PolarHBondContact O-N 2.87Å; N1797-R1800 PolarHBondContact OD1-N 3.2Å; R1800-S1802 VanDerWaalsContact C-N 3.3Å; R1800-S1802 PolarHBondContact O-N 2.93Å; R1800-E1803 PolarHBondContact O-N 3.33Å; R1800-I1804 PolarHBondContact O-N 2.82Å |
| 1801 | L | 93.7 | Very high | 92.4 | Very high | 18 Ų | 18 | 70.8 Ų | 70.8 | 9% | 0.094 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.5 | -41.4 | 173 | -178 | 61.1 | 0 | 0 | 0 | 111 | I1788 R1792 N1797 Y1798 E1799 E1803 I1804 L1805 | I1788-L1801 HydrophobicContact CB-CD1 4.22Å; I1788-L1801 HydrophobicContact CG1-CD1 4.08Å; I1788-L1801 HydrophobicContact CG2-CD1 3.87Å; R1792-L1801 HydrophobicContact CB-CD1 4.45Å; R1792-L1801 HydrophobicContact CB-CD2 4.2Å; R1792-L1801 HydrophobicContact CG-CD2 4.41Å; N1797-L1801 WeakPolarHBondContact O-CB 2.92Å; N1797-L1801 PolarHBondContact O-N 2.82Å; Y1798-L1801 HydrophobicContact CD1-CD2 4.13Å; E1799-L1801 VanDerWaalsContact C-N 3.28Å; E1799-L1801 PolarHBondContact O-N 3.31Å; L1801-E1803 VanDerWaalsContact C-N 3.35Å; L1801-I1804 HydrophobicContact CD1-CG2 4.34Å; L1801-I1804 WeakPolarHBondContact O-CG2 3.18Å; L1801-L1805 HydrophobicContact CD1-CD1 4Å; L1801-L1805 HydrophobicContact CD1-CG 4.19Å; L1801-L1805 HydrophobicContact CG-CD1 3.87Å; L1801-L1805 HydrophobicContact CG-CG 4.47Å; L1801-L1805 VanDerWaalsContact O-CB 3.28Å; L1801-L1805 WeakPolarHBondContact O-CB 3.44Å; L1801-L1805 WeakPolarHBondContact O-CD1 3.33Å; L1801-L1805 WeakPolarHBondContact O-CG 3.29Å; L1801-L1805 PolarHBondContact O-N 2.86Å |
| 1802 | S | 94.1 | Very high | 92.2 | Very high | 48 Ų | 48 | 76.2 Ų | 76.2 | 34% | 0.336 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66 | -37.7 | 177 | 83.6 | 0 | 0 | 0 | 0 | 112.3 | Y1798 E1799 R1800 K1806 | Y1798-S1802 WeakPolarHBondContact O-CB 3.2Å; Y1798-S1802 PolarHBondContact O-N 2.63Å; E1799-S1802 WeakPolarHBondContact O-CA 3.18Å; E1799-S1802 WeakPolarHBondContact O-CB 3.35Å; E1799-S1802 PolarHBondContact O-N 2.86Å; E1799-S1802 PolarHBondContact O-OG 2.85Å; R1800-S1802 VanDerWaalsContact C-N 3.3Å; R1800-S1802 PolarHBondContact O-N 2.93Å; S1802-K1806 WeakPolarHBondContact O-CB 3.41Å; S1802-K1806 VanDerWaalsContact O-CG 3.25Å; S1802-K1806 WeakPolarHBondContact O-CG 3.32Å; S1802-K1806 PolarHBondContact O-N 2.97Å |
| 1803 | E | 94.1 | Very high | 91.9 | Very high | 105 Ų | 105 | 78 Ų | 78 | 49% | 0.491 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66.8 | -49.9 | 177.7 | -68.4 | 175.7 | 166.5 | 0 | 0 | 111.3 | E1799 R1800 L1801 L1805 K1806 E1807 | E1799-E1803 PolarHBondContact O-N 3.14Å; R1800-E1803 PolarHBondContact O-N 3.33Å; L1801-E1803 VanDerWaalsContact C-N 3.35Å; E1803-L1805 VanDerWaalsContact C-N 3.31Å; E1803-L1805 PolarHBondContact O-N 2.78Å; E1803-K1806 WeakPolarHBondContact O-CB 3.46Å; E1803-K1806 PolarHBondContact O-N 2.93Å; E1803-K1806 VanDerWaalsContact O-N 3.14Å; E1803-E1807 PolarHBondContact O-N 2.95Å |
| 1804 | I | 95.3 | Very high | 91.6 | Very high | 10 Ų | 10 | 75 Ų | 75 | 5% | 0.051 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66.4 | -34.7 | -179.8 | -160.1 | 66.2 | 0 | 0 | 0 | 111.7 | F1768 L1787 I1788 Y1791 R1800 L1801 E1807 Q1808 | F1768-I1804 HydrophobicContact CE1-CD1 4.37Å; F1768-I1804 HydrophobicContact CZ-CD1 4.38Å; L1787-I1804 HydrophobicContact CB-CG1 4.16Å; L1787-I1804 HydrophobicContact CD1-CD1 3.85Å; L1787-I1804 HydrophobicContact CD1-CG1 4.4Å; I1788-I1804 HydrophobicContact CD1-CG2 4.47Å; I1788-I1804 HydrophobicContact CG1-CG2 3.58Å; Y1791-I1804 HydrophobicContact CD2-CB 4.5Å; Y1791-I1804 HydrophobicContact CD2-CG2 3.98Å; Y1791-I1804 HydrophobicContact CE2-CB 4.39Å; Y1791-I1804 HydrophobicContact CE2-CG2 4.36Å; R1800-I1804 PolarHBondContact O-N 2.82Å; L1801-I1804 HydrophobicContact CD1-CG2 4.34Å; L1801-I1804 WeakPolarHBondContact O-CG2 3.18Å; I1804-E1807 PolarHBondContact O-N 2.82Å; I1804-Q1808 VanDerWaalsContact O-CB 3.28Å; I1804-Q1808 WeakPolarHBondContact O-CB 3.08Å; I1804-Q1808 PolarHBondContact O-N 2.84Å |
| 1805 | L | 95 | Very high | 91.6 | Very high | 77 Ų | 77 | 72.5 Ų | 72.5 | 40% | 0.403 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67.8 | -35.2 | 174.3 | -75.2 | 170.7 | 0 | 0 | 0 | 112 | I1788 L1801 E1803 A1809 | I1788-L1805 HydrophobicContact CD1-CD2 3.66Å; I1788-L1805 HydrophobicContact CD1-CG 4.41Å; I1788-L1805 HydrophobicContact CG1-CD2 4.21Å; L1801-L1805 HydrophobicContact CD1-CD1 4Å; L1801-L1805 HydrophobicContact CD1-CG 4.19Å; L1801-L1805 HydrophobicContact CG-CD1 3.87Å; L1801-L1805 HydrophobicContact CG-CG 4.47Å; L1801-L1805 VanDerWaalsContact O-CB 3.28Å; L1801-L1805 WeakPolarHBondContact O-CB 3.44Å; L1801-L1805 WeakPolarHBondContact O-CD1 3.33Å; L1801-L1805 WeakPolarHBondContact O-CG 3.29Å; L1801-L1805 PolarHBondContact O-N 2.86Å; E1803-L1805 VanDerWaalsContact C-N 3.31Å; E1803-L1805 PolarHBondContact O-N 2.78Å; L1805-A1809 WeakPolarHBondContact O-CB 3.48Å; L1805-A1809 PolarHBondContact O-N 2.88Å |
| 1806 | K | 95.3 | Very high | 91.4 | Very high | 137 Ų | 137 | 73.7 Ų | 73.7 | 60% | 0.596 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -64.9 | -48 | 172.1 | -76.8 | 168.6 | -176.2 | 170.2 | 0 | 111 | S1802 E1803 Q1808 A1809 I1810 | S1802-K1806 WeakPolarHBondContact O-CB 3.41Å; S1802-K1806 VanDerWaalsContact O-CG 3.25Å; S1802-K1806 WeakPolarHBondContact O-CG 3.32Å; S1802-K1806 PolarHBondContact O-N 2.97Å; E1803-K1806 WeakPolarHBondContact O-CB 3.46Å; E1803-K1806 PolarHBondContact O-N 2.93Å; E1803-K1806 VanDerWaalsContact O-N 3.14Å; K1806-Q1808 VanDerWaalsContact C-N 3.32Å; K1806-Q1808 PolarHBondContact O-N 2.84Å; K1806-A1809 WeakPolarHBondContact O-CB 3.48Å; K1806-A1809 PolarHBondContact O-N 2.78Å; K1806-I1810 VanDerWaalsContact O-CG1 3.32Å; K1806-I1810 WeakPolarHBondContact O-CG1 3.41Å; K1806-I1810 PolarHBondContact O-N 2.6Å |
| 1807 | E | 94.1 | Very high | 91 | Very high | 60 Ų | 60 | 72.2 Ų | 72.2 | 28% | 0.28 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.1 | -43.6 | 175.2 | -75.8 | -65.3 | 122.6 | 0 | 0 | 111.2 | F1768 K1772 E1803 I1804 A1809 I1810 L1811 | F1768-E1807 HydrophobicContact CE1-CB 4.22Å; F1768-E1807 HydrophobicContact CE1-CG 4.47Å; F1768-E1807 HydrophobicContact CZ-CB 3.99Å; K1772-E1807 IonicContact NZ-OE2 3.36Å; K1772-E1807 PolarHBondContact NZ-OE2 3.27Å; E1803-E1807 PolarHBondContact O-N 2.95Å; I1804-E1807 PolarHBondContact O-N 2.82Å; E1807-A1809 VanDerWaalsContact C-N 3.35Å; E1807-A1809 PolarHBondContact O-N 2.77Å; E1807-I1810 WeakPolarHBondContact O-CB 3.48Å; E1807-I1810 PolarHBondContact O-N 3.43Å; E1807-I1810 VanDerWaalsContact O-N 3.15Å; E1807-L1811 WeakPolarHBondContact O-CG 3.41Å; E1807-L1811 PolarHBondContact O-N 2.81Å |
| 1808 | Q | 93.7 | Very high | 89.8 | Confident | 19 Ų | 19 | 74.3 Ų | 74.3 | 9% | 0.089 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.2 | -42.6 | 176.3 | -167.4 | -175.9 | 48.6 | 0 | 0 | 111.7 | S1784 N1785 I1804 K1806 I1810 L1811 Y1812 | S1784-Q1808 PolarHBondContact OG-NE2 3.31Å; N1785-Q1808 PolarHBondContact OD1-NE2 2.8Å; I1804-Q1808 VanDerWaalsContact O-CB 3.28Å; I1804-Q1808 WeakPolarHBondContact O-CB 3.08Å; I1804-Q1808 PolarHBondContact O-N 2.84Å; K1806-Q1808 VanDerWaalsContact C-N 3.32Å; K1806-Q1808 PolarHBondContact O-N 2.84Å; Q1808-I1810 VanDerWaalsContact C-N 3.33Å; Q1808-I1810 PolarHBondContact O-N 3.05Å; Q1808-L1811 PolarHBondContact O-N 2.92Å; Q1808-Y1812 HydrophobicContact CG-CD2 4Å; Q1808-Y1812 HydrophobicContact CG-CE2 3.61Å; Q1808-Y1812 WeakPolarHBondContact O-CD2 3.33Å; Q1808-Y1812 PolarHBondContact O-N 2.79Å |
| 1809 | A | 92.6 | Very high | 88.6 | Confident | 59 Ų | 59 | 72.6 Ų | 72.6 | 49% | 0.488 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63 | -38.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1805 K1806 E1807 R1813 | L1805-A1809 WeakPolarHBondContact O-CB 3.48Å; L1805-A1809 PolarHBondContact O-N 2.88Å; K1806-A1809 WeakPolarHBondContact O-CB 3.48Å; K1806-A1809 PolarHBondContact O-N 2.78Å; E1807-A1809 VanDerWaalsContact C-N 3.35Å; E1807-A1809 PolarHBondContact O-N 2.77Å; A1809-R1813 WeakPolarHBondContact O-CB 3.37Å; A1809-R1813 PolarHBondContact O-N 3.12Å |
| 1810 | I | 91.7 | Very high | 87.4 | Confident | 86 Ų | 86 | 71.3 Ų | 71.3 | 44% | 0.441 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.3 | -43.6 | 173.9 | -68.2 | 164.2 | 0 | 0 | 0 | 110.5 | K1806 E1807 Q1808 R1813 T1814 | K1806-I1810 VanDerWaalsContact O-CG1 3.32Å; K1806-I1810 WeakPolarHBondContact O-CG1 3.41Å; K1806-I1810 PolarHBondContact O-N 2.6Å; E1807-I1810 WeakPolarHBondContact O-CB 3.48Å; E1807-I1810 PolarHBondContact O-N 3.43Å; E1807-I1810 VanDerWaalsContact O-N 3.15Å; Q1808-I1810 VanDerWaalsContact C-N 3.33Å; Q1808-I1810 PolarHBondContact O-N 3.05Å; I1810-R1813 PolarHBondContact O-N 3.19Å; I1810-T1814 WeakPolarHBondContact O-CB 3.46Å; I1810-T1814 PolarHBondContact O-N 3.22Å; I1810-T1814 PolarHBondContact O-OG1 3.3Å |
| 1811 | L | 90.9 | Very high | 86.4 | Confident | 4 Ų | 4 | 71.6 Ų | 71.6 | 2% | 0.021 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.2 | -48.1 | 177 | -70.3 | 177.5 | 0 | 0 | 0 | 111.8 | F1768 K1772 W1777 A1780 I1781 E1807 Q1808 R1813 T1814 I1815 | F1768-L1811 HydrophobicContact CE2-CD1 3.53Å; F1768-L1811 HydrophobicContact CZ-CD1 3.66Å; K1772-L1811 HydrophobicContact CD-CD2 4.25Å; K1772-L1811 HydrophobicContact CG-CD2 4.17Å; W1777-L1811 HydrophobicContact CB-CD2 4.18Å; W1777-L1811 HydrophobicContact CG-CD2 4.11Å; A1780-L1811 HydrophobicContact CB-CD1 3.95Å; I1781-L1811 HydrophobicContact CD1-CB 4.19Å; I1781-L1811 HydrophobicContact CG1-CB 4.04Å; I1781-L1811 HydrophobicContact CG1-CD1 4.08Å; E1807-L1811 WeakPolarHBondContact O-CG 3.41Å; E1807-L1811 PolarHBondContact O-N 2.81Å; Q1808-L1811 PolarHBondContact O-N 2.92Å; L1811-R1813 VanDerWaalsContact C-N 3.29Å; L1811-R1813 PolarHBondContact O-N 3.02Å; L1811-T1814 WeakPolarHBondContact O-CB 2.9Å; L1811-T1814 PolarHBondContact O-N 2.84Å; L1811-T1814 VanDerWaalsContact O-N 3.13Å; L1811-I1815 WeakPolarHBondContact O-CG1 3.19Å; L1811-I1815 PolarHBondContact O-N 3.16Å |
| 1812 | Y | 90.2 | Very high | 85.8 | Confident | 119 Ų | 119 | 73.6 Ų | 73.6 | 47% | 0.467 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -57.9 | -42.7 | 174.8 | -78 | -58.3 | 0 | 0 | 0 | 112.1 | I1781 Q1808 I1815 V1816 | I1781-Y1812 HydrophobicContact CD1-CD1 3.83Å; I1781-Y1812 HydrophobicContact CD1-CE1 3.71Å; I1781-Y1812 HydrophobicContact CD1-CG 4.34Å; I1781-Y1812 HydrophobicContact CG2-CE1 4.28Å; I1781-Y1812 HydrophobicContact CG2-CE2 4.43Å; I1781-Y1812 WeakPolarHBondContact CG2-OH 3.38Å; Q1808-Y1812 HydrophobicContact CG-CD2 4Å; Q1808-Y1812 HydrophobicContact CG-CE2 3.61Å; Q1808-Y1812 WeakPolarHBondContact O-CD2 3.33Å; Q1808-Y1812 PolarHBondContact O-N 2.79Å; Y1812-I1815 PolarHBondContact O-N 3Å; Y1812-V1816 WeakPolarHBondContact O-CG2 3.3Å; Y1812-V1816 PolarHBondContact O-N 3.34Å |
| 1813 | R | 88 | Confident | 85.1 | Confident | 170 Ų | 170 | 75 Ų | 75 | 64% | 0.642 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -62 | -45.3 | 175.6 | -173.9 | 179.3 | -178.6 | 115.3 | -2 | 111.1 | A1809 I1810 L1811 I1815 V1816 T1817 | A1809-R1813 WeakPolarHBondContact O-CB 3.37Å; A1809-R1813 PolarHBondContact O-N 3.12Å; I1810-R1813 PolarHBondContact O-N 3.19Å; L1811-R1813 VanDerWaalsContact C-N 3.29Å; L1811-R1813 PolarHBondContact O-N 3.02Å; R1813-I1815 VanDerWaalsContact C-N 3.34Å; R1813-I1815 PolarHBondContact O-N 3.09Å; R1813-V1816 PolarHBondContact O-N 2.7Å; R1813-V1816 VanDerWaalsContact O-N 3.1Å; R1813-T1817 HydrophobicContact CG-CG2 3.79Å; R1813-T1817 WeakPolarHBondContact O-CG2 3.25Å; R1813-T1817 PolarHBondContact O-N 3.29Å; R1813-T1817 PolarHBondContact O-OG1 3.47Å; R1813-T1817 VanDerWaalsContact O-OG1 3.08Å |
| 1814 | T | 87.2 | Confident | 84.4 | Confident | 17 Ų | 17 | 73.7 Ų | 73.7 | 10% | 0.104 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.1 | -40.7 | -178.5 | -57.3 | 0 | 0 | 0 | 0 | 111.9 | W1777 I1810 L1811 V1816 N1818 H1820 | W1777-T1814 HydrophobicContact CD2-CG2 4.31Å; W1777-T1814 HydrophobicContact CE3-CG2 4.18Å; W1777-T1814 HydrophobicContact CH2-CG2 3.77Å; W1777-T1814 HydrophobicContact CZ2-CG2 3.87Å; W1777-T1814 HydrophobicContact CZ3-CG2 3.92Å; I1810-T1814 WeakPolarHBondContact O-CB 3.46Å; I1810-T1814 PolarHBondContact O-N 3.22Å; I1810-T1814 PolarHBondContact O-OG1 3.3Å; L1811-T1814 WeakPolarHBondContact O-CB 2.9Å; L1811-T1814 PolarHBondContact O-N 2.84Å; L1811-T1814 VanDerWaalsContact O-N 3.13Å; T1814-V1816 VanDerWaalsContact C-N 3.27Å; T1814-V1816 PolarHBondContact O-N 3.46Å; T1814-N1818 PolarHBondContact O-N 2.95Å; T1814-N1818 VanDerWaalsContact O-N 3.12Å; T1814-H1820 HydrophobicContact CG2-CB 4.34Å |
| 1815 | I | 86 | Confident | 84 | Confident | 13 Ų | 13 | 74.6 Ų | 74.6 | 7% | 0.067 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -58.9 | -38.5 | 175.3 | -68.1 | 165.4 | 0 | 0 | 0 | 111.4 | W1777 I1781 L1811 Y1812 R1813 I1915 | W1777-I1815 HydrophobicContact CB-CD1 4.13Å; W1777-I1815 HydrophobicContact CB-CG1 4.09Å; W1777-I1815 HydrophobicContact CE3-CG1 3.81Å; I1781-I1815 HydrophobicContact CD1-CD1 3.56Å; L1811-I1815 WeakPolarHBondContact O-CG1 3.19Å; L1811-I1815 PolarHBondContact O-N 3.16Å; Y1812-I1815 PolarHBondContact O-N 3Å; R1813-I1815 VanDerWaalsContact C-N 3.34Å; R1813-I1815 PolarHBondContact O-N 3.09Å; I1815-I1915 HydrophobicContact CG2-CG1 4.21Å |
| 1816 | V | 82.3 | Confident | 83.7 | Confident | 65 Ų | 65 | 74.6 Ų | 74.6 | 39% | 0.394 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -87.7 | -40.4 | -176 | -179.3 | 0 | 0 | 0 | 0 | 112.4 | Y1812 R1813 T1814 K1914 | Y1812-V1816 WeakPolarHBondContact O-CG2 3.3Å; Y1812-V1816 PolarHBondContact O-N 3.34Å; R1813-V1816 PolarHBondContact O-N 2.7Å; R1813-V1816 VanDerWaalsContact O-N 3.1Å; T1814-V1816 VanDerWaalsContact C-N 3.27Å; T1814-V1816 PolarHBondContact O-N 3.46Å; V1816-K1914 VanDerWaalsContact O-CD 3.24Å; V1816-K1914 WeakPolarHBondContact O-CD 3.49Å; V1816-K1914 PolarHBondContact O-NZ 2.88Å |
| 1817 | T | 78.3 | Confident | 83.5 | Confident | 52 Ų | 52 | 68.2 Ų | 68.2 | 32% | 0.319 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -75.9 | -30.8 | -176.6 | 59.2 | 0 | 0 | 0 | 0 | 112.5 | R1813 E1819 | R1813-T1817 HydrophobicContact CG-CG2 3.79Å; R1813-T1817 WeakPolarHBondContact O-CG2 3.25Å; R1813-T1817 PolarHBondContact O-N 3.29Å; R1813-T1817 PolarHBondContact O-OG1 3.47Å; R1813-T1817 VanDerWaalsContact O-OG1 3.08Å; T1817-E1819 PolarHBondContact O-N 3.36Å |
| 1818 | N | 66.8 | Low | 83.4 | Confident | 89 Ų | 89 | 65.7 Ų | 65.7 | 48% | 0.476 | 33% | 0.333 | S | S | . | . | trans | 62.7 | 27 | -178.7 | -139.7 | 46.6 | 0 | 0 | 0 | 113.3 | T1814 H1820 K1914 | T1814-N1818 PolarHBondContact O-N 2.95Å; T1814-N1818 VanDerWaalsContact O-N 3.12Å; N1818-H1820 PolarHBondContact O-N 2.93Å; N1818-K1914 HydrophobicContact CB-CD 4.5Å | ||
| 1819 | E | 66.3 | Low | 83.3 | Confident | 137 Ų | 137 | 64.8 Ų | 64.8 | 64% | 0.64 | 33% | 0.329 | S | S | * | . | trans | -60.3 | -28.7 | 175.8 | -74.2 | 170.9 | -158.9 | 0 | 0 | 112 | T1817 | T1817-E1819 PolarHBondContact O-N 3.36Š| ||
| 1820 | H | 67.1 | Low | 83.1 | Confident | 113 Ų | 113 | 62 Ų | 62 | 52% | 0.523 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -111.8 | 125.6 | 177.5 | -58.6 | 85.9 | 0 | 0 | 0 | 109.2 | W1777 T1814 N1818 | W1777-H1820 HydrophobicContact CH2-CB 4.1Å; W1777-H1820 WeakPolarHBondContact CH2-O 3.26Å; W1777-H1820 HydrophobicContact CZ2-CB 4.07Å; T1814-H1820 HydrophobicContact CG2-CB 4.34Å; N1818-H1820 PolarHBondContact O-N 2.93Å |
| 1821 | S | 71.7 | Confident | 82.7 | Confident | 106 Ų | 106 | 58.2 Ų | 58.2 | 74% | 0.741 | 29% | 0.286 | S | S | * | . | P | Polyproline II helix | trans | -74.8 | 131.2 | 175.5 | 57.3 | 0 | 0 | 0 | 0 | 110.7 | ||
| 1822 | R | 81 | Confident | 82.3 | Confident | 60 Ų | 60 | 58.3 Ų | 58.3 | 23% | 0.226 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 151.7 | 172.9 | -66.5 | -175.2 | -175.8 | -107.3 | 9.5 | 112 | T1775 W1777 E1778 | T1775-R1822 PolarHBondContact O-NH1 2.68Å; W1777-R1822 VanDerWaalsContact CE3-CZ 3.41Å; W1777-R1822 HydrophobicContact CH2-CG 3.89Å; W1777-R1822 HydrophobicContact CZ3-CG 3.87Å; E1778-R1822 IonicContact OE1-CZ 2.89Å; E1778-R1822 IonicContact OE1-NH1 3.86Å; E1778-R1822 IonicContact OE1-NH2 2.61Å; E1778-R1822 PolarHBondContact OE1-NH2 2.87Å; E1778-R1822 IonicContact OE2-CZ 3.57Å; E1778-R1822 VanDerWaalsContact OE2-CZ 3.29Å; E1778-R1822 IonicContact OE2-NH1 3.81Å; E1778-R1822 PolarHBondContact OE2-NH1 3.43Å; E1778-R1822 IonicContact OE2-NH2 3.82Å; E1778-R1822 PolarHBondContact OE2-NH2 3.39Å |
| 1823 | L | 79.4 | Confident | 81.6 | Confident | 78 Ų | 78 | 53.6 Ų | 53.6 | 41% | 0.408 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 130.9 | 176.3 | -69.6 | 168.3 | 0 | 0 | 0 | 110.9 | T1775 F1825 T1853 | T1775-L1823 HydrophobicContact CG2-CD1 4.15Å; T1775-L1823 HydrophobicContact CG2-CG 3.93Å; T1775-L1823 PolarHBondContact OG1-N 3.46Å; L1823-F1825 VanDerWaalsContact C-N 3.34Å; L1823-F1825 HydrophobicContact CB-CD2 4.1Å; L1823-F1825 HydrophobicContact CB-CE2 3.61Å; L1823-F1825 HydrophobicContact CB-CZ 4.07Å; L1823-F1825 HydrophobicContact CD1-CE2 4.33Å; L1823-F1825 HydrophobicContact CD1-CZ 4.14Å; L1823-F1825 WeakPolarHBondContact O-CD2 3.44Å; L1823-F1825 PolarHBondContact O-N 3.43Å; L1823-T1853 HydrophobicContact CB-CG2 4.22Å |
| 1824 | P | 79.5 | Confident | 80.6 | Confident | 76 Ų | 76 | 48 Ų | 48 | 49% | 0.494 | 25% | 0.249 | S | C | . | . | trans | -83.8 | 72.1 | -174.5 | 34.2 | -36 | 0 | 0 | 0 | 111.9 | ||||
| 1825 | F | 86.4 | Confident | 79.5 | Confident | 29 Ų | 29 | 48.1 Ų | 48.1 | 13% | 0.127 | 25% | 0.251 | C | S | . | . | trans | -62.2 | 142.2 | 178.3 | -67.6 | -81.2 | 0 | 0 | 0 | 112.9 | L1823 R1851 T1853 | L1823-F1825 VanDerWaalsContact C-N 3.34Å; L1823-F1825 HydrophobicContact CB-CD2 4.1Å; L1823-F1825 HydrophobicContact CB-CE2 3.61Å; L1823-F1825 HydrophobicContact CB-CZ 4.07Å; L1823-F1825 HydrophobicContact CD1-CE2 4.33Å; L1823-F1825 HydrophobicContact CD1-CZ 4.14Å; L1823-F1825 WeakPolarHBondContact O-CD2 3.44Å; L1823-F1825 PolarHBondContact O-N 3.43Å; F1825-R1851 HydrophobicContact CB-CG 4.35Å; F1825-R1851 HydrophobicContact CD1-CG 4.06Å; F1825-R1851 HydrophobicContact CG-CG 4.47Å; F1825-T1853 HydrophobicContact CD1-CG2 3.78Å; F1825-T1853 HydrophobicContact CE1-CG2 3.69Å; F1825-T1853 HydrophobicContact CG-CG2 4.36Å; F1825-T1853 HydrophobicContact CZ-CG2 4.21Å | ||
| 1826 | R | 88.5 | Confident | 78.1 | Confident | 77 Ų | 77 | 54.9 Ų | 54.9 | 29% | 0.291 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 154.4 | 178.6 | -63.1 | -176.1 | -176.8 | 112.7 | -22.3 | 110.1 | Y1828 R1851 T1852 T1853 D1855 N1895 | R1826-Y1828 HydrophobicContact CB-CE2 3.91Å; R1826-Y1828 WeakPolarHBondContact CD-OH 3.37Å; R1826-R1851 WeakPolarHBondContact O-CA 3.33Å; R1826-T1852 PolarHBondContact N-O 3Å; R1826-T1852 PolarHBondContact O-N 3.42Å; R1826-T1853 PolarHBondContact NH1-O 2.92Å; R1826-D1855 IonicContact CZ-OD1 2.68Å; R1826-D1855 IonicContact NE-OD1 3.51Å; R1826-D1855 IonicContact NH1-OD1 2.88Å; R1826-D1855 PolarHBondContact NH1-OD1 3.23Å; R1826-D1855 IonicContact NH2-OD1 3.29Å; R1826-D1855 PolarHBondContact NH2-OD1 3.44Å; R1826-N1895 WeakPolarHBondContact CA-OD1 3.5Å; R1826-N1895 WeakPolarHBondContact CB-OD1 3.39Å |
| 1827 | Y | 92.6 | Very high | 76.4 | Confident | 3 Ų | 3 | 57.8 Ų | 57.8 | 1% | 0.012 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 120.3 | -176.4 | -64.4 | -80.9 | 0 | 0 | 0 | 110.3 | I1849 Y1850 R1851 N1895 L1896 K1921 F1927 M1958 | Y1827-I1849 HydrophobicContact CD1-CG2 4.15Å; Y1827-Y1850 CarbonylContact C-O 3.51Å; Y1827-Y1850 VanDerWaalsContact CA-O 3.31Å; Y1827-Y1850 WeakPolarHBondContact CA-O 3.46Å; Y1827-R1851 HydrophobicContact CD1-CB 3.94Å; Y1827-R1851 HydrophobicContact CD1-CG 4.23Å; Y1827-R1851 HydrophobicContact CE1-CB 3.7Å; Y1827-R1851 HydrophobicContact CE1-CG 3.62Å; Y1827-N1895 PolarHBondContact N-OD1 2.78Å; Y1827-N1895 CarbonylContact O-C 3.59Å; Y1827-N1895 WeakPolarHBondContact O-CA 3.46Å; Y1827-N1895 PolarHBondContact O-OD1 3.35Å; Y1827-L1896 PolarHBondContact O-N 3.33Å; Y1827-K1921 WeakPolarHBondContact CE2-O 3.19Å; Y1827-K1921 PolarHBondContact OH-O 3.28Å; Y1827-F1927 HydrophobicContact CD1-CD1 4.35Å; Y1827-F1927 AromaticContact CD1-CE1 3.43Å; Y1827-F1927 HydrophobicContact CD1-CE1 3.43Å; Y1827-F1927 VanDerWaalsContact CD1-CE1 3.43Å; Y1827-F1927 AromaticContact CD1-CZ 3.89Å; Y1827-F1927 HydrophobicContact CD1-CZ 3.89Å; Y1827-F1927 HydrophobicContact CD2-CD1 4.39Å; Y1827-F1927 AromaticContact CD2-CE1 3.79Å; Y1827-F1927 HydrophobicContact CD2-CE1 3.79Å; Y1827-F1927 AromaticContact CE1-CE1 3.78Å; Y1827-F1927 HydrophobicContact CE1-CE1 3.78Å; Y1827-F1927 AromaticContact CE1-CZ 3.98Å; Y1827-F1927 HydrophobicContact CE1-CZ 3.98Å; Y1827-F1927 HydrophobicContact CE2-CE1 4.12Å; Y1827-F1927 HydrophobicContact CG-CD1 4.02Å; Y1827-F1927 AromaticContact CG-CE1 3.44Å; Y1827-F1927 HydrophobicContact CG-CE1 3.44Å; Y1827-F1927 VanDerWaalsContact CG-CE1 3.44Å; Y1827-F1927 HydrophobicContact CG-CZ 4.35Å; Y1827-M1958 HydrophobicContact CE1-CB 4.39Å; Y1827-M1958 HydrophobicContact CE1-SD 4.48Å |
| 1828 | Y | 92.2 | Very high | 74.6 | Confident | 7 Ų | 7 | 57.9 Ų | 57.9 | 3% | 0.027 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 135.9 | -179.9 | -58.1 | -74 | 0 | 0 | 0 | 110.7 | R1826 I1849 Y1850 T1852 S1854 L1856 V1859 N1895 | R1826-Y1828 HydrophobicContact CB-CE2 3.91Å; R1826-Y1828 WeakPolarHBondContact CD-OH 3.37Å; Y1828-I1849 WeakPolarHBondContact O-CA 3.37Å; Y1828-Y1850 PolarHBondContact N-O 3.15Å; Y1828-Y1850 PolarHBondContact O-N 2.94Å; Y1828-T1852 HydrophobicContact CD2-CG2 3.9Å; Y1828-T1852 HydrophobicContact CE2-CG2 3.64Å; Y1828-S1854 WeakPolarHBondContact CE2-O 3.16Å; Y1828-S1854 PolarHBondContact OH-O 2.81Å; Y1828-L1856 HydrophobicContact CD1-CD1 3.84Å; Y1828-L1856 HydrophobicContact CE1-CB 3.85Å; Y1828-L1856 HydrophobicContact CE1-CD1 3.98Å; Y1828-L1856 HydrophobicContact CE1-CG 4.46Å; Y1828-L1856 PolarHBondContact OH-N 3.1Å; Y1828-L1856 VanDerWaalsContact OH-N 3.09Å; Y1828-V1859 HydrophobicContact CD2-CG2 3.91Å; Y1828-V1859 HydrophobicContact CE2-CG2 3.77Å; Y1828-N1895 HydrophobicContact CE1-CB 4.17Å |
| 1829 | L | 90.6 | Very high | 73.6 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 124.3 | 167.4 | -175.8 | 74.3 | 0 | 0 | 0 | 108.8 | E1831 K1847 L1848 I1849 A1892 S1893 L1896 Y1952 V1967 | L1829-E1831 HydrophobicContact CD2-CG 3.92Å; L1829-E1831 WeakPolarHBondContact CD2-OE1 3.32Å; L1829-E1831 HydrophobicContact CG-CG 3.98Å; L1829-K1847 HydrophobicContact CD1-CB 4.2Å; L1829-L1848 WeakPolarHBondContact CA-O 3.35Å; L1829-I1849 HydrophobicContact CD1-CG1 4.42Å; L1829-A1892 CarbonylContact O-C 3.56Å; L1829-A1892 WeakPolarHBondContact O-CA 2.99Å; L1829-S1893 VanDerWaalsContact CB-OG 3.25Å; L1829-S1893 WeakPolarHBondContact CB-OG 3.32Å; L1829-S1893 PolarHBondContact N-OG 2.92Å; L1829-S1893 PolarHBondContact O-N 3.35Å; L1829-L1896 HydrophobicContact CB-CD1 4.08Å; L1829-L1896 HydrophobicContact CB-CD2 4.26Å; L1829-L1896 HydrophobicContact CB-CG 4.46Å; L1829-Y1952 HydrophobicContact CD1-CD1 3.92Å; L1829-Y1952 HydrophobicContact CD1-CE1 3.83Å; L1829-Y1952 HydrophobicContact CD1-CG 4.41Å; L1829-Y1952 HydrophobicContact CD2-CD1 4.49Å; L1829-Y1952 HydrophobicContact CD2-CE1 3.62Å; L1829-Y1952 HydrophobicContact CD2-CE2 4.09Å; L1829-Y1952 WeakPolarHBondContact CD2-OH 3.4Å; L1829-Y1952 HydrophobicContact CG-CE1 4.39Å; L1829-V1967 HydrophobicContact CD1-CG2 4.25Å |
| 1830 | I | 87.9 | Confident | 72.7 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 120.9 | 173.6 | -50.4 | 175.8 | 0 | 0 | 0 | 107.7 | M1679 F1832 L1848 Y1850 L1863 I1890 | M1679-I1830 HydrophobicContact CE-CD1 4.46Å; M1679-I1830 HydrophobicContact SD-CD1 4.49Å; I1830-F1832 HydrophobicContact CB-CE2 4.09Å; I1830-F1832 HydrophobicContact CG2-CD2 4.11Å; I1830-F1832 HydrophobicContact CG2-CE1 4.31Å; I1830-F1832 HydrophobicContact CG2-CE2 3.36Å; I1830-F1832 HydrophobicContact CG2-CZ 3.5Å; I1830-F1832 VanDerWaalsContact CG2-CZ 3.5Å; I1830-L1848 PolarHBondContact N-O 3.44Å; I1830-L1848 PolarHBondContact O-N 2.65Å; I1830-Y1850 HydrophobicContact CD1-CD1 4.2Å; I1830-Y1850 HydrophobicContact CD1-CG 4.19Å; I1830-L1863 HydrophobicContact CD1-CD1 4.26Å; I1830-L1863 HydrophobicContact CD1-CD2 4.36Å; I1830-L1863 HydrophobicContact CG2-CD1 4.18Å; I1830-L1863 HydrophobicContact CG2-CD2 4.37Å; I1830-I1890 HydrophobicContact CG2-CG2 4Å |
| 1831 | E | 85.1 | Confident | 71.7 | Confident | 8 Ų | 8 | 52.3 Ų | 52.3 | 4% | 0.037 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 128.2 | 177.5 | -52.7 | -171.9 | 153 | 0 | 0 | 110.6 | L1829 Y1833 R1846 K1847 P1876 F1891 | L1829-E1831 HydrophobicContact CD2-CG 3.92Å; L1829-E1831 WeakPolarHBondContact CD2-OE1 3.32Å; L1829-E1831 HydrophobicContact CG-CG 3.98Å; E1831-Y1833 HydrophobicContact CB-CE2 3.77Å; E1831-Y1833 PolarHBondContact OE2-OH 3.32Å; E1831-R1846 VanDerWaalsContact CA-O 3.25Å; E1831-R1846 WeakPolarHBondContact CA-O 3.4Å; E1831-K1847 HydrophobicContact CG-CG 4.07Å; E1831-K1847 VanDerWaalsContact OE1-CE 3.25Å; E1831-K1847 WeakPolarHBondContact OE1-CE 3.31Å; E1831-K1847 IonicContact OE1-NZ 2.95Å; E1831-P1876 WeakPolarHBondContact OE2-CB 3.42Å; E1831-F1891 HydrophobicContact CB-CB 4.29Å; E1831-F1891 HydrophobicContact CB-CD1 4.24Å; E1831-F1891 HydrophobicContact CG-CD1 4.01Å; E1831-F1891 PolarHBondContact N-O 2.93Å; E1831-F1891 PolarHBondContact O-N 3.42Å |
| 1832 | F | 81 | Confident | 70.5 | Confident | 6 Ų | 6 | 48.6 Ų | 48.6 | 3% | 0.026 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 132 | -179.6 | -64.1 | -92.1 | 0 | 0 | 0 | 110.5 | M1679 I1830 I1843 R1846 L1848 F1867 F1888 I1890 | M1679-F1832 HydrophobicContact CE-CZ 3.72Å; I1830-F1832 HydrophobicContact CB-CE2 4.09Å; I1830-F1832 HydrophobicContact CG2-CD2 4.11Å; I1830-F1832 HydrophobicContact CG2-CE1 4.31Å; I1830-F1832 HydrophobicContact CG2-CE2 3.36Å; I1830-F1832 HydrophobicContact CG2-CZ 3.5Å; I1830-F1832 VanDerWaalsContact CG2-CZ 3.5Å; F1832-I1843 HydrophobicContact CB-CD1 3.85Å; F1832-I1843 HydrophobicContact CB-CG2 4.41Å; F1832-I1843 HydrophobicContact CD1-CD1 3.67Å; F1832-I1843 HydrophobicContact CD2-CD1 3.39Å; F1832-I1843 HydrophobicContact CD2-CG2 4.02Å; F1832-I1843 HydrophobicContact CE1-CD1 3.98Å; F1832-I1843 HydrophobicContact CE2-CD1 3.73Å; F1832-I1843 HydrophobicContact CG-CD1 3.33Å; F1832-I1843 HydrophobicContact CG-CG2 4.48Å; F1832-I1843 HydrophobicContact CZ-CD1 4Å; F1832-R1846 PolarHBondContact N-O 2.93Å; F1832-L1848 HydrophobicContact CD2-CD1 4.35Å; F1832-L1848 HydrophobicContact CE2-CD1 3.78Å; F1832-L1848 HydrophobicContact CE2-CG 4.4Å; F1832-F1867 HydrophobicContact CE1-CD2 4.48Å; F1832-F1867 AromaticContact CE1-CE2 3.93Å; F1832-F1867 HydrophobicContact CE1-CE2 3.93Å; F1832-F1867 HydrophobicContact CE1-CZ 4.07Å; F1832-F1867 HydrophobicContact CZ-CE2 4.42Å; F1832-F1888 HydrophobicContact CB-CE2 4.37Å; F1832-F1888 HydrophobicContact CD1-CE2 4.05Å; F1832-F1888 AromaticContact CD1-CZ 3.67Å; F1832-F1888 HydrophobicContact CD1-CZ 3.67Å; F1832-F1888 HydrophobicContact CE1-CZ 4.3Å; F1832-I1890 HydrophobicContact CD1-CD1 4.21Å; F1832-I1890 HydrophobicContact CD1-CG1 3.83Å; F1832-I1890 HydrophobicContact CE1-CD1 3.93Å; F1832-I1890 HydrophobicContact CE1-CG1 4Å; F1832-I1890 HydrophobicContact CE1-CG2 4.39Å |
| 1833 | Y | 74.9 | Confident | 69.1 | Low | 19 Ų | 19 | 46.6 Ų | 46.6 | 8% | 0.075 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 111.3 | -179 | -62.3 | -86 | 0 | 0 | 0 | 109.7 | E1831 L1873 P1876 L1877 Q1882 F1888 C1889 F1891 | E1831-Y1833 HydrophobicContact CB-CE2 3.77Å; E1831-Y1833 PolarHBondContact OE2-OH 3.32Å; Y1833-L1873 HydrophobicContact CD2-CD1 4.03Å; Y1833-L1873 HydrophobicContact CE2-CD1 4.33Å; Y1833-P1876 WeakPolarHBondContact OH-CB 3.32Å; Y1833-L1877 HydrophobicContact CD1-CB 4.07Å; Y1833-L1877 HydrophobicContact CD1-CD1 3.57Å; Y1833-L1877 HydrophobicContact CD1-CG 4.43Å; Y1833-L1877 HydrophobicContact CD2-CD1 3.83Å; Y1833-L1877 HydrophobicContact CE1-CB 3.75Å; Y1833-L1877 HydrophobicContact CE1-CD1 4.05Å; Y1833-L1877 HydrophobicContact CE1-CG 4.45Å; Y1833-L1877 HydrophobicContact CE2-CD1 4.29Å; Y1833-L1877 HydrophobicContact CG-CD1 3.43Å; Y1833-L1877 VanDerWaalsContact CG-CD1 3.43Å; Y1833-L1877 PolarHBondContact OH-N 2.98Å; Y1833-Q1882 HydrophobicContact CD1-CG 4.47Å; Y1833-F1888 WeakPolarHBondContact O-CD2 3.37Å; Y1833-C1889 PolarHBondContact N-O 3.2Å; Y1833-C1889 PolarHBondContact O-N 3.2Å; Y1833-F1891 HydrophobicContact CE2-CB 3.89Å |
| 1834 | E | 67.8 | Low | 67.7 | Low | 52 Ų | 52 | 48.2 Ų | 48.2 | 24% | 0.243 | 28% | 0.276 | C | S | . | . | trans | -111.5 | 149.4 | -177.4 | -82.6 | 174.3 | -148.6 | 0 | 0 | 112.7 | S1838 L1840 F1888 | E1834-S1838 WeakPolarHBondContact OE2-CB 3.48Å; E1834-L1840 WeakPolarHBondContact OE1-CB 3.39Å; E1834-L1840 WeakPolarHBondContact OE2-CB 3.47Å; E1834-L1840 PolarHBondContact OE2-N 3.08Å; E1834-F1888 HydrophobicContact CB-CD2 4.44Å; E1834-F1888 HydrophobicContact CG-CD2 3.28Å; E1834-F1888 HydrophobicContact CG-CE2 3.47Å; E1834-F1888 VanDerWaalsContact CG-CE2 3.47Å; E1834-F1888 HydrophobicContact CG-CG 4.41Å; E1834-F1888 WeakPolarHBondContact OE1-CE2 3.45Å | ||
| 1835 | P | 64 | Low | 66.5 | Low | 21 Ų | 21 | 47.4 Ų | 47.4 | 14% | 0.136 | 27% | 0.267 | C | S | . | . | trans | -57.4 | 145.5 | 160.3 | -16.4 | 29.2 | 0 | 0 | 0 | 109.7 | T1837 S1838 | P1835-T1837 PolarHBondContact O-N 3.24Å; P1835-S1838 PolarHBondContact O-N 3.47Å | ||
| 1836 | T | 56.3 | Low | 65.6 | Low | 155 Ų | 155 | 53.3 Ų | 53.3 | 95% | 0.951 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -10.4 | -179.1 | 47 | 0 | 0 | 0 | 0 | 114.7 | ||
| 1837 | T | 46.3 | Very low | 65.4 | Low | 126 Ų | 126 | 53 Ų | 53 | 77% | 0.773 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | -10.8 | 179.1 | 49.8 | 0 | 0 | 0 | 0 | 114.6 | P1835 | P1835-T1837 PolarHBondContact O-N 3.24Š|
| 1838 | S | 42.4 | Very low | 65.1 | Low | 53 Ų | 53 | 53 Ų | 53 | 37% | 0.371 | 29% | 0.29 | S | S | . | . | trans | -83.1 | 128 | -175.8 | -69.7 | 0 | 0 | 0 | 0 | 111.7 | E1834 P1835 L1840 | E1834-S1838 WeakPolarHBondContact OE2-CB 3.48Å; P1835-S1838 PolarHBondContact O-N 3.47Å; S1838-L1840 VanDerWaalsContact C-N 3.29Å; S1838-L1840 PolarHBondContact O-N 3Å | ||
| 1839 | A | 45.7 | Very low | 65 | Low | 60 Ų | 60 | 52.7 Ų | 52.7 | 50% | 0.496 | 29% | 0.288 | S | S | . | . | trans | -85.7 | 22.4 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | M1841 | A1839-M1841 PolarHBondContact O-N 2.84Š| ||
| 1840 | L | 45.4 | Very low | 65 | Low | 35 Ų | 35 | 54.3 Ų | 54.3 | 18% | 0.183 | 30% | 0.295 | C | S | . | . | trans | -80 | 43.4 | -179.2 | -108.6 | 131.4 | 0 | 0 | 0 | 111.2 | F1672 E1834 S1838 M1842 I1843 F1867 | F1672-L1840 HydrophobicContact CE1-CD2 3.57Å; F1672-L1840 HydrophobicContact CE1-CG 3.92Å; F1672-L1840 HydrophobicContact CZ-CB 4.5Å; F1672-L1840 HydrophobicContact CZ-CD2 3.73Å; F1672-L1840 HydrophobicContact CZ-CG 3.82Å; E1834-L1840 WeakPolarHBondContact OE1-CB 3.39Å; E1834-L1840 WeakPolarHBondContact OE2-CB 3.47Å; E1834-L1840 PolarHBondContact OE2-N 3.08Å; S1838-L1840 VanDerWaalsContact C-N 3.29Å; S1838-L1840 PolarHBondContact O-N 3Å; L1840-M1842 PolarHBondContact O-N 2.83Å; L1840-I1843 PolarHBondContact O-N 2.61Å; L1840-F1867 HydrophobicContact CD2-CE1 4.45Å | ||
| 1841 | M | 46.4 | Very low | 65.2 | Low | 127 Ų | 127 | 54.5 Ų | 54.5 | 63% | 0.626 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -5.4 | -169.4 | -151.5 | 159.5 | 77.2 | 0 | 0 | 114.8 | A1839 I1843 T1844 | A1839-M1841 PolarHBondContact O-N 2.84Å; M1841-I1843 VanDerWaalsContact C-N 3.32Å; M1841-T1844 VanDerWaalsContact O-CG2 3.26Å; M1841-T1844 WeakPolarHBondContact O-CG2 3.44Å; M1841-T1844 PolarHBondContact O-N 3.33Å |
| 1842 | M | 47.9 | Very low | 65.3 | Low | 29 Ų | 29 | 54.7 Ų | 54.7 | 14% | 0.143 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -17.6 | 175.5 | -81.8 | -137.7 | -69 | 0 | 0 | 114.1 | F1672 A1684 N1687 L1840 T1844 | F1672-M1842 HydrophobicContact CD2-CE 3.61Å; F1672-M1842 HydrophobicContact CE2-CB 4.39Å; F1672-M1842 HydrophobicContact CE2-CE 3.89Å; F1672-M1842 HydrophobicContact CE2-CG 4.34Å; F1672-M1842 HydrophobicContact CG-CE 4.46Å; A1684-M1842 HydrophobicContact CB-CE 3.21Å; A1684-M1842 HydrophobicContact CB-SD 4.29Å; N1687-M1842 HydrophobicContact CB-SD 3.91Å; N1687-M1842 PolarHBondContact ND2-SD 2.68Å; L1840-M1842 PolarHBondContact O-N 2.83Å; M1842-T1844 PolarHBondContact O-N 3.39Å |
| 1843 | I | 50.4 | Low | 65.5 | Low | 17 Ų | 17 | 57.4 Ų | 57.4 | 9% | 0.087 | 31% | 0.314 | C | S | . | . | trans | -84 | 56.9 | 164.2 | -44.7 | -177.4 | 0 | 0 | 0 | 107.4 | F1832 L1840 M1841 N1845 L1848 | F1832-I1843 HydrophobicContact CB-CD1 3.85Å; F1832-I1843 HydrophobicContact CB-CG2 4.41Å; F1832-I1843 HydrophobicContact CD1-CD1 3.67Å; F1832-I1843 HydrophobicContact CD2-CD1 3.39Å; F1832-I1843 HydrophobicContact CD2-CG2 4.02Å; F1832-I1843 HydrophobicContact CE1-CD1 3.98Å; F1832-I1843 HydrophobicContact CE2-CD1 3.73Å; F1832-I1843 HydrophobicContact CG-CD1 3.33Å; F1832-I1843 HydrophobicContact CG-CG2 4.48Å; F1832-I1843 HydrophobicContact CZ-CD1 4Å; L1840-I1843 PolarHBondContact O-N 2.61Å; M1841-I1843 VanDerWaalsContact C-N 3.32Å; I1843-N1845 WeakPolarHBondContact CG2-O 3.43Å; I1843-N1845 CarbonylContact O-C 3.52Å; I1843-N1845 PolarHBondContact O-N 2.6Å; I1843-N1845 VanDerWaalsContact O-N 3.13Å; I1843-L1848 HydrophobicContact CG2-CD1 4.3Å; I1843-L1848 HydrophobicContact CG2-CG 4.34Å | ||
| 1844 | T | 49.6 | Very low | 66.1 | Low | 113 Ų | 113 | 58.5 Ų | 58.5 | 69% | 0.693 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -50.3 | -36.3 | 170.9 | 46.7 | 0 | 0 | 0 | 0 | 109.7 | M1841 M1842 | M1841-T1844 VanDerWaalsContact O-CG2 3.26Å; M1841-T1844 WeakPolarHBondContact O-CG2 3.44Å; M1841-T1844 PolarHBondContact O-N 3.33Å; M1842-T1844 PolarHBondContact O-N 3.39Å |
| 1845 | N | 54.3 | Low | 67 | Low | 59 Ų | 59 | 60 Ų | 60 | 32% | 0.316 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -98.6 | 98.6 | 168.9 | -73 | 1.6 | 0 | 0 | 0 | 111 | I1843 K1847 P1966 V1967 | I1843-N1845 WeakPolarHBondContact CG2-O 3.43Å; I1843-N1845 CarbonylContact O-C 3.52Å; I1843-N1845 PolarHBondContact O-N 2.6Å; I1843-N1845 VanDerWaalsContact O-N 3.13Å; N1845-K1847 PolarHBondContact O-N 3.46Å; N1845-P1966 HydrophobicContact CB-CB 3.7Å; N1845-V1967 PolarHBondContact ND2-O 3.48Å |
| 1846 | R | 68.6 | Low | 68 | Low | 153 Ų | 153 | 61.6 Ų | 61.6 | 58% | 0.577 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -48.4 | -17.8 | 176.9 | -64.3 | -175.8 | -177 | -178.8 | -0.8 | 115.4 | E1831 F1832 | E1831-R1846 VanDerWaalsContact CA-O 3.25Å; E1831-R1846 WeakPolarHBondContact CA-O 3.4Å; F1832-R1846 PolarHBondContact N-O 2.93Å |
| 1847 | K | 84.3 | Confident | 69.4 | Low | 69 Ų | 69 | 56.1 Ų | 56.1 | 30% | 0.3 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 116.5 | -175.7 | -60.8 | -174.9 | 177.9 | 177 | 0 | 109.7 | L1829 E1831 N1845 Y1952 V1967 V1970 | L1829-K1847 HydrophobicContact CD1-CB 4.2Å; E1831-K1847 HydrophobicContact CG-CG 4.07Å; E1831-K1847 VanDerWaalsContact OE1-CE 3.25Å; E1831-K1847 WeakPolarHBondContact OE1-CE 3.31Å; E1831-K1847 IonicContact OE1-NZ 2.95Å; N1845-K1847 PolarHBondContact O-N 3.46Å; K1847-Y1952 HydrophobicContact CD-CE1 4.23Å; K1847-V1967 HydrophobicContact CB-CB 4.08Å; K1847-V1967 HydrophobicContact CB-CG2 4.02Å; K1847-V1967 WeakPolarHBondContact O-CG2 3.27Å; K1847-V1967 PolarHBondContact O-N 2.88Å; K1847-V1970 HydrophobicContact CD-CG2 4.19Å |
| 1848 | L | 87.2 | Confident | 71.3 | Confident | 4 Ų | 4 | 54.3 Ų | 54.3 | 2% | 0.021 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 143.3 | 178.9 | -56.4 | -179.6 | 0 | 0 | 0 | 109.9 | L1683 L1829 I1830 F1832 I1843 I1964 P1966 | L1683-L1848 HydrophobicContact CD1-CD1 3.99Å; L1829-L1848 WeakPolarHBondContact CA-O 3.35Å; I1830-L1848 PolarHBondContact N-O 3.44Å; I1830-L1848 PolarHBondContact O-N 2.65Å; F1832-L1848 HydrophobicContact CD2-CD1 4.35Å; F1832-L1848 HydrophobicContact CE2-CD1 3.78Å; F1832-L1848 HydrophobicContact CE2-CG 4.4Å; I1843-L1848 HydrophobicContact CG2-CD1 4.3Å; I1843-L1848 HydrophobicContact CG2-CG 4.34Å; L1848-I1964 HydrophobicContact CB-CG2 3.86Å; L1848-I1964 HydrophobicContact CD1-CG2 4.07Å; L1848-I1964 HydrophobicContact CG-CG2 4.4Å; L1848-P1966 HydrophobicContact CD2-CB 3.86Å |
| 1849 | I | 90 | Very high | 73.3 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 122.9 | 170.5 | -59.9 | -174.2 | 0 | 0 | 0 | 108.3 | Y1827 Y1828 L1829 L1896 F1927 I1954 M1958 I1964 M1965 V1967 | Y1827-I1849 HydrophobicContact CD1-CG2 4.15Å; Y1828-I1849 WeakPolarHBondContact O-CA 3.37Å; L1829-I1849 HydrophobicContact CD1-CG1 4.42Å; I1849-L1896 HydrophobicContact CD1-CD1 4.17Å; I1849-L1896 HydrophobicContact CG1-CD1 4.26Å; I1849-L1896 HydrophobicContact CG2-CD1 4.35Å; I1849-F1927 HydrophobicContact CD1-CB 4.01Å; I1849-F1927 HydrophobicContact CD1-CD2 3.21Å; I1849-F1927 HydrophobicContact CD1-CE2 3.78Å; I1849-F1927 HydrophobicContact CD1-CG 3.7Å; I1849-F1927 HydrophobicContact CG2-CD2 4.44Å; I1849-F1927 HydrophobicContact CG2-CE1 4.4Å; I1849-F1927 HydrophobicContact CG2-CE2 4.29Å; I1849-F1927 HydrophobicContact CG2-CZ 4.26Å; I1849-I1954 HydrophobicContact CD1-CG2 3.73Å; I1849-I1954 HydrophobicContact CG1-CG2 4.23Å; I1849-M1958 HydrophobicContact CG2-SD 4.4Å; I1849-I1964 CarbonylContact O-C 3.49Å; I1849-I1964 VanDerWaalsContact O-CA 3.27Å; I1849-I1964 WeakPolarHBondContact O-CA 3.13Å; I1849-M1965 PolarHBondContact N-O 3.14Å; I1849-M1965 PolarHBondContact O-N 2.7Å; I1849-V1967 HydrophobicContact CD1-CG2 4.05Å; I1849-V1967 HydrophobicContact CG1-CG2 3.75Å |
| 1850 | Y | 90.2 | Very high | 75.2 | Confident | 34 Ų | 34 | 51.2 Ų | 51.2 | 13% | 0.133 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 125.3 | 179.8 | 178.7 | -134.5 | 0 | 0 | 0 | 111.5 | Y1827 Y1828 I1830 T1852 V1859 M1862 P1963 I1964 | Y1827-Y1850 CarbonylContact C-O 3.51Å; Y1827-Y1850 VanDerWaalsContact CA-O 3.31Å; Y1827-Y1850 WeakPolarHBondContact CA-O 3.46Å; Y1828-Y1850 PolarHBondContact N-O 3.15Å; Y1828-Y1850 PolarHBondContact O-N 2.94Å; I1830-Y1850 HydrophobicContact CD1-CD1 4.2Å; I1830-Y1850 HydrophobicContact CD1-CG 4.19Å; Y1850-T1852 HydrophobicContact CD1-CG2 3.91Å; Y1850-T1852 HydrophobicContact CE1-CG2 3.52Å; Y1850-V1859 HydrophobicContact CD1-CG1 4.19Å; Y1850-V1859 HydrophobicContact CD1-CG2 4.34Å; Y1850-V1859 HydrophobicContact CE1-CG1 4.41Å; Y1850-V1859 HydrophobicContact CE1-CG2 4.09Å; Y1850-M1862 HydrophobicContact CD1-CE 4.41Å; Y1850-M1862 HydrophobicContact CE1-CE 3.76Å; Y1850-P1963 HydrophobicContact CD2-CB 4.41Å; Y1850-P1963 WeakPolarHBondContact CD2-O 3.42Å; Y1850-P1963 HydrophobicContact CE2-CB 4.07Å; Y1850-P1963 HydrophobicContact CE2-CG 4.19Å; Y1850-I1964 HydrophobicContact CD2-CD1 4.13Å; Y1850-I1964 HydrophobicContact CD2-CG1 3.34Å; Y1850-I1964 HydrophobicContact CE2-CD1 4.39Å; Y1850-I1964 HydrophobicContact CE2-CG1 3.98Å; Y1850-I1964 HydrophobicContact CG-CG1 4.2Å |
| 1851 | R | 90.8 | Very high | 77.1 | Confident | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.015 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 123.4 | 175.4 | -180 | -175.7 | -175.8 | -101.9 | 1.2 | 109.9 | E1720 F1825 R1826 Y1827 N1922 M1958 P1963 | E1720-R1851 IonicContact OE1-CZ 3.25Å; E1720-R1851 IonicContact OE1-NH1 3.36Å; E1720-R1851 PolarHBondContact OE1-NH1 3.06Å; F1825-R1851 HydrophobicContact CB-CG 4.35Å; F1825-R1851 HydrophobicContact CD1-CG 4.06Å; F1825-R1851 HydrophobicContact CG-CG 4.47Å; R1826-R1851 WeakPolarHBondContact O-CA 3.33Å; Y1827-R1851 HydrophobicContact CD1-CB 3.94Å; Y1827-R1851 HydrophobicContact CD1-CG 4.23Å; Y1827-R1851 HydrophobicContact CE1-CB 3.7Å; Y1827-R1851 HydrophobicContact CE1-CG 3.62Å; R1851-N1922 PolarHBondContact NH2-OD1 3.45Å; R1851-M1958 HydrophobicContact CB-CE 3.43Å; R1851-M1958 VanDerWaalsContact CB-CE 3.43Å; R1851-M1958 HydrophobicContact CG-CE 4.47Å; R1851-P1963 PolarHBondContact N-O 3.29Å |
| 1852 | T | 88.4 | Confident | 78.9 | Confident | 12 Ų | 12 | 49.8 Ų | 49.8 | 7% | 0.074 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 159.8 | 177.3 | -175.2 | 0 | 0 | 0 | 0 | 111.6 | R1826 Y1828 Y1850 S1854 V1859 | R1826-T1852 PolarHBondContact N-O 3Å; R1826-T1852 PolarHBondContact O-N 3.42Å; Y1828-T1852 HydrophobicContact CD2-CG2 3.9Å; Y1828-T1852 HydrophobicContact CE2-CG2 3.64Å; Y1850-T1852 HydrophobicContact CD1-CG2 3.91Å; Y1850-T1852 HydrophobicContact CE1-CG2 3.52Å; T1852-S1854 VanDerWaalsContact C-N 3.3Å; T1852-S1854 PolarHBondContact OG1-N 2.8Å; T1852-S1854 VanDerWaalsContact OG1-N 3.14Å; T1852-S1854 PolarHBondContact OG1-OG 2.91Å; T1852-V1859 HydrophobicContact CG2-CG2 3.83Å |
| 1853 | T | 84.9 | Confident | 80.5 | Confident | 63 Ų | 63 | 48.4 Ų | 48.4 | 39% | 0.387 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -80.9 | -13.9 | 167.8 | 51.4 | 0 | 0 | 0 | 0 | 112.3 | L1823 F1825 R1826 | L1823-T1853 HydrophobicContact CB-CG2 4.22Å; F1825-T1853 HydrophobicContact CD1-CG2 3.78Å; F1825-T1853 HydrophobicContact CE1-CG2 3.69Å; F1825-T1853 HydrophobicContact CG-CG2 4.36Å; F1825-T1853 HydrophobicContact CZ-CG2 4.21Å; R1826-T1853 PolarHBondContact NH1-O 2.92Å |
| 1854 | S | 86.7 | Confident | 81.9 | Confident | 43 Ų | 43 | 50.6 Ų | 50.6 | 30% | 0.301 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -73.2 | 153.1 | -174.2 | -53.6 | 0 | 0 | 0 | 0 | 113.2 | Y1828 T1852 | Y1828-S1854 WeakPolarHBondContact CE2-O 3.16Å; Y1828-S1854 PolarHBondContact OH-O 2.81Å; T1852-S1854 VanDerWaalsContact C-N 3.3Å; T1852-S1854 PolarHBondContact OG1-N 2.8Å; T1852-S1854 VanDerWaalsContact OG1-N 3.14Å; T1852-S1854 PolarHBondContact OG1-OG 2.91Å |
| 1855 | D | 86.8 | Confident | 83.4 | Confident | 82 Ų | 82 | 52.6 Ų | 52.6 | 44% | 0.439 | 28% | 0.276 | S | S | . | . | trans | -76.7 | 161.1 | 175.5 | -73.2 | -0.7 | 0 | 0 | 0 | 110.7 | R1826 G1857 D1858 V1859 | R1826-D1855 IonicContact CZ-OD1 2.68Å; R1826-D1855 IonicContact NE-OD1 3.51Å; R1826-D1855 IonicContact NH1-OD1 2.88Å; R1826-D1855 PolarHBondContact NH1-OD1 3.23Å; R1826-D1855 IonicContact NH2-OD1 3.29Å; R1826-D1855 PolarHBondContact NH2-OD1 3.44Å; D1855-G1857 PolarHBondContact O-N 2.95Å; D1855-D1858 PolarHBondContact O-N 3.29Å; D1855-D1858 VanDerWaalsContact O-N 3.08Å; D1855-V1859 WeakPolarHBondContact O-CG2 3.45Å; D1855-V1859 PolarHBondContact O-N 3.05Å | ||
| 1856 | L | 84.8 | Confident | 84.4 | Confident | 55 Ų | 55 | 50.2 Ų | 50.2 | 29% | 0.288 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -57.8 | -34 | -179.2 | -179.3 | 62.9 | 0 | 0 | 0 | 112.3 | Y1828 V1859 L1860 A1892 | Y1828-L1856 HydrophobicContact CD1-CD1 3.84Å; Y1828-L1856 HydrophobicContact CE1-CB 3.85Å; Y1828-L1856 HydrophobicContact CE1-CD1 3.98Å; Y1828-L1856 HydrophobicContact CE1-CG 4.46Å; Y1828-L1856 PolarHBondContact OH-N 3.1Å; Y1828-L1856 VanDerWaalsContact OH-N 3.09Å; L1856-V1859 PolarHBondContact O-N 2.78Å; L1856-L1860 HydrophobicContact CD1-CG 4.3Å; L1856-L1860 HydrophobicContact CG-CD1 4.12Å; L1856-L1860 HydrophobicContact CG-CG 4.36Å; L1856-L1860 WeakPolarHBondContact O-CB 3.28Å; L1856-L1860 VanDerWaalsContact O-CG 3.28Å; L1856-L1860 WeakPolarHBondContact O-CG 3.45Å; L1856-L1860 PolarHBondContact O-N 3.48Å; L1856-A1892 HydrophobicContact CD1-CB 4.22Å |
| 1857 | G | 85.6 | Confident | 84.8 | Confident | 40 Ų | 40 | 43.3 Ų | 43.3 | 41% | 0.412 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.7 | -43.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | D1855 L1860 N1861 | D1855-G1857 PolarHBondContact O-N 2.95Å; G1857-L1860 PolarHBondContact O-N 3.02Å; G1857-N1861 PolarHBondContact O-N 3.46Å; G1857-N1861 PolarHBondContact O-ND2 3.44Å |
| 1858 | D | 86.4 | Confident | 84.3 | Confident | 89 Ų | 89 | 44.4 Ų | 44.4 | 48% | 0.476 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -68.7 | -38.1 | 177.4 | -57.4 | -37.5 | 0 | 0 | 0 | 111.2 | D1855 N1861 M1862 | D1855-D1858 PolarHBondContact O-N 3.29Å; D1855-D1858 VanDerWaalsContact O-N 3.08Å; D1858-N1861 PolarHBondContact O-N 2.96Å; D1858-M1862 VanDerWaalsContact O-CB 3.26Å; D1858-M1862 WeakPolarHBondContact O-CB 3.26Å; D1858-M1862 PolarHBondContact O-N 2.59Å |
| 1859 | V | 85.6 | Confident | 83.5 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.012 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.1 | -42.5 | 174.4 | 176.3 | 0 | 0 | 0 | 0 | 111 | Y1828 Y1850 T1852 D1855 L1856 M1862 L1863 | Y1828-V1859 HydrophobicContact CD2-CG2 3.91Å; Y1828-V1859 HydrophobicContact CE2-CG2 3.77Å; Y1850-V1859 HydrophobicContact CD1-CG1 4.19Å; Y1850-V1859 HydrophobicContact CD1-CG2 4.34Å; Y1850-V1859 HydrophobicContact CE1-CG1 4.41Å; Y1850-V1859 HydrophobicContact CE1-CG2 4.09Å; T1852-V1859 HydrophobicContact CG2-CG2 3.83Å; D1855-V1859 WeakPolarHBondContact O-CG2 3.45Å; D1855-V1859 PolarHBondContact O-N 3.05Å; L1856-V1859 PolarHBondContact O-N 2.78Å; V1859-M1862 HydrophobicContact CG1-CE 4.16Å; V1859-M1862 PolarHBondContact O-N 3.17Å; V1859-L1863 HydrophobicContact CG1-CD1 4.06Å; V1859-L1863 HydrophobicContact CG1-CG 4.48Å; V1859-L1863 WeakPolarHBondContact O-CB 3.23Å; V1859-L1863 VanDerWaalsContact O-CG 3.24Å; V1859-L1863 WeakPolarHBondContact O-CG 3.44Å; V1859-L1863 PolarHBondContact O-N 3.45Å |
| 1860 | L | 85 | Confident | 82.9 | Confident | 46 Ų | 46 | 51.7 Ų | 51.7 | 24% | 0.241 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.4 | -41.3 | 176.1 | -73.2 | 172.1 | 0 | 0 | 0 | 111.9 | L1856 G1857 L1863 T1864 I1872 A1892 | L1856-L1860 HydrophobicContact CD1-CG 4.3Å; L1856-L1860 HydrophobicContact CG-CD1 4.12Å; L1856-L1860 HydrophobicContact CG-CG 4.36Å; L1856-L1860 WeakPolarHBondContact O-CB 3.28Å; L1856-L1860 VanDerWaalsContact O-CG 3.28Å; L1856-L1860 WeakPolarHBondContact O-CG 3.45Å; L1856-L1860 PolarHBondContact O-N 3.48Å; G1857-L1860 PolarHBondContact O-N 3.02Å; L1860-L1863 PolarHBondContact O-N 3.23Å; L1860-T1864 WeakPolarHBondContact O-CB 3.23Å; L1860-T1864 PolarHBondContact O-N 3.22Å; L1860-T1864 PolarHBondContact O-OG1 3.02Å; L1860-I1872 HydrophobicContact CD2-CD1 4.31Å; L1860-I1872 HydrophobicContact CD2-CG2 3.87Å; L1860-A1892 HydrophobicContact CD2-CB 3.8Å |
| 1861 | N | 84.5 | Confident | 82.4 | Confident | 94 Ų | 94 | 56.6 Ų | 56.6 | 50% | 0.503 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.5 | -46.5 | 174.4 | -70 | -20.1 | 0 | 0 | 0 | 110.7 | G1857 D1858 L1863 T1864 E1865 | G1857-N1861 PolarHBondContact O-N 3.46Å; G1857-N1861 PolarHBondContact O-ND2 3.44Å; D1858-N1861 PolarHBondContact O-N 2.96Å; N1861-L1863 VanDerWaalsContact C-N 3.35Å; N1861-L1863 PolarHBondContact O-N 3.49Å; N1861-T1864 WeakPolarHBondContact O-CB 3.32Å; N1861-T1864 PolarHBondContact O-N 3.31Å; N1861-T1864 VanDerWaalsContact O-N 3.12Å; N1861-E1865 WeakPolarHBondContact O-CG 3.33Å; N1861-E1865 PolarHBondContact O-N 2.99Å |
| 1862 | M | 84.3 | Confident | 82 | Confident | 37 Ų | 37 | 59 Ų | 59 | 18% | 0.182 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -57.7 | -45.8 | 174.7 | 174.8 | -86.7 | -71.3 | 0 | 0 | 111.4 | Y1850 D1858 V1859 T1864 E1865 Q1866 | Y1850-M1862 HydrophobicContact CD1-CE 4.41Å; Y1850-M1862 HydrophobicContact CE1-CE 3.76Å; D1858-M1862 VanDerWaalsContact O-CB 3.26Å; D1858-M1862 WeakPolarHBondContact O-CB 3.26Å; D1858-M1862 PolarHBondContact O-N 2.59Å; V1859-M1862 HydrophobicContact CG1-CE 4.16Å; V1859-M1862 PolarHBondContact O-N 3.17Å; M1862-T1864 VanDerWaalsContact C-N 3.32Å; M1862-T1864 PolarHBondContact O-N 3.29Å; M1862-E1865 PolarHBondContact O-N 3.28Å; M1862-Q1866 HydrophobicContact CG-CG 4.42Å; M1862-Q1866 VanDerWaalsContact O-CB 3.3Å; M1862-Q1866 WeakPolarHBondContact O-CB 3.22Å; M1862-Q1866 VanDerWaalsContact O-CG 3.23Å; M1862-Q1866 WeakPolarHBondContact O-CG 3.33Å; M1862-Q1866 PolarHBondContact O-N 3.42Å; M1862-Q1866 HydrophobicContact SD-CG 4.16Å; M1862-Q1866 PolarHBondContact SD-NE2 3.22Å; M1862-Q1866 VanDerWaalsContact SD-NE2 3.36Å |
| 1863 | L | 82 | Confident | 81.6 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.8 | -35.6 | 176.4 | -71.6 | 169.7 | 0 | 0 | 0 | 112.3 | M1679 I1830 V1859 L1860 N1861 F1867 I1890 A1892 | M1679-L1863 HydrophobicContact CE-CD2 3.57Å; I1830-L1863 HydrophobicContact CD1-CD1 4.26Å; I1830-L1863 HydrophobicContact CD1-CD2 4.36Å; I1830-L1863 HydrophobicContact CG2-CD1 4.18Å; I1830-L1863 HydrophobicContact CG2-CD2 4.37Å; V1859-L1863 HydrophobicContact CG1-CD1 4.06Å; V1859-L1863 HydrophobicContact CG1-CG 4.48Å; V1859-L1863 WeakPolarHBondContact O-CB 3.23Å; V1859-L1863 VanDerWaalsContact O-CG 3.24Å; V1859-L1863 WeakPolarHBondContact O-CG 3.44Å; V1859-L1863 PolarHBondContact O-N 3.45Å; L1860-L1863 PolarHBondContact O-N 3.23Å; N1861-L1863 VanDerWaalsContact C-N 3.35Å; N1861-L1863 PolarHBondContact O-N 3.49Å; L1863-F1867 HydrophobicContact CD2-CD2 4.32Å; L1863-F1867 HydrophobicContact CD2-CE2 4.19Å; L1863-F1867 WeakPolarHBondContact O-CB 3.38Å; L1863-F1867 WeakPolarHBondContact O-CD2 3.28Å; L1863-F1867 PolarHBondContact O-N 2.84Å; L1863-I1890 HydrophobicContact CD1-CG2 4.13Å; L1863-A1892 HydrophobicContact CD1-CB 4.21Å |
| 1864 | T | 80.7 | Confident | 81.1 | Confident | 62 Ų | 62 | 64 Ų | 64 | 38% | 0.38 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -68.8 | -41.1 | 176.5 | -46.3 | 0 | 0 | 0 | 0 | 111.2 | L1860 N1861 M1862 F1867 P1868 I1872 | L1860-T1864 WeakPolarHBondContact O-CB 3.23Å; L1860-T1864 PolarHBondContact O-N 3.22Å; L1860-T1864 PolarHBondContact O-OG1 3.02Å; N1861-T1864 WeakPolarHBondContact O-CB 3.32Å; N1861-T1864 PolarHBondContact O-N 3.31Å; N1861-T1864 VanDerWaalsContact O-N 3.12Å; M1862-T1864 VanDerWaalsContact C-N 3.32Å; M1862-T1864 PolarHBondContact O-N 3.29Å; T1864-F1867 CarbonylContact O-C 3.38Å; T1864-F1867 VanDerWaalsContact O-C 3.31Å; T1864-P1868 WeakPolarHBondContact O-CA 3.37Å; T1864-I1872 WeakPolarHBondContact OG1-CD1 3.36Å |
| 1865 | E | 79.5 | Confident | 80.3 | Confident | 155 Ų | 155 | 68.4 Ų | 68.4 | 72% | 0.724 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -67.4 | -40.3 | 176.1 | -73.8 | 179.3 | 178.8 | 0 | 0 | 111.7 | N1861 M1862 | N1861-E1865 WeakPolarHBondContact O-CG 3.33Å; N1861-E1865 PolarHBondContact O-N 2.99Å; M1862-E1865 PolarHBondContact O-N 3.28Å |
| 1866 | Q | 75.5 | Confident | 79.6 | Confident | 10 Ų | 10 | 65.8 Ų | 65.8 | 5% | 0.047 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -74.3 | -27.5 | 178.4 | -71.4 | -169.6 | 9.9 | 0 | 0 | 112.9 | H1675 M1862 | H1675-Q1866 PolarHBondContact CE1-O 3.09Å; M1862-Q1866 HydrophobicContact CG-CG 4.42Å; M1862-Q1866 VanDerWaalsContact O-CB 3.3Å; M1862-Q1866 WeakPolarHBondContact O-CB 3.22Å; M1862-Q1866 VanDerWaalsContact O-CG 3.23Å; M1862-Q1866 WeakPolarHBondContact O-CG 3.33Å; M1862-Q1866 PolarHBondContact O-N 3.42Å; M1862-Q1866 HydrophobicContact SD-CG 4.16Å; M1862-Q1866 PolarHBondContact SD-NE2 3.22Å; M1862-Q1866 VanDerWaalsContact SD-NE2 3.36Å |
| 1867 | F | 76.8 | Confident | 78.6 | Confident | 7 Ų | 7 | 64.8 Ų | 64.8 | 3% | 0.031 | 35% | 0.349 | C | S | . | . | trans | -136.4 | 73.3 | -177.9 | -55.3 | -80.4 | 0 | 0 | 0 | 111.7 | H1675 M1679 N1680 F1832 L1840 L1863 T1864 D1869 A1870 F1888 I1890 | H1675-F1867 AromaticContact CE1-CD1 3.79Å; H1675-F1867 AromaticContact CE1-CE1 3.78Å; M1679-F1867 HydrophobicContact CE-CE2 4.1Å; N1680-F1867 WeakPolarHBondContact ND2-CE1 3.42Å; N1680-F1867 WeakPolarHBondContact ND2-CZ 3.28Å; F1832-F1867 HydrophobicContact CE1-CD2 4.48Å; F1832-F1867 AromaticContact CE1-CE2 3.93Å; F1832-F1867 HydrophobicContact CE1-CE2 3.93Å; F1832-F1867 HydrophobicContact CE1-CZ 4.07Å; F1832-F1867 HydrophobicContact CZ-CE2 4.42Å; L1840-F1867 HydrophobicContact CD2-CE1 4.45Å; L1863-F1867 HydrophobicContact CD2-CD2 4.32Å; L1863-F1867 HydrophobicContact CD2-CE2 4.19Å; L1863-F1867 WeakPolarHBondContact O-CB 3.38Å; L1863-F1867 WeakPolarHBondContact O-CD2 3.28Å; L1863-F1867 PolarHBondContact O-N 2.84Å; T1864-F1867 CarbonylContact O-C 3.38Å; T1864-F1867 VanDerWaalsContact O-C 3.31Å; F1867-D1869 VanDerWaalsContact C-N 3.25Å; F1867-D1869 PolarHBondContact O-N 2.85Å; F1867-A1870 HydrophobicContact CB-CB 3.69Å; F1867-A1870 VanDerWaalsContact O-CB 3.26Å; F1867-A1870 WeakPolarHBondContact O-CB 3.34Å; F1867-A1870 PolarHBondContact O-N 2.95Å; F1867-F1888 HydrophobicContact CB-CE1 3.96Å; F1867-F1888 AromaticContact CD1-CE1 3.61Å; F1867-F1888 HydrophobicContact CD1-CE1 3.61Å; F1867-F1888 HydrophobicContact CD1-CZ 4.14Å; F1867-F1888 HydrophobicContact CE1-CE1 4.29Å; F1867-F1888 HydrophobicContact CE1-CZ 4.39Å; F1867-F1888 AromaticContact CG-CE1 3.91Å; F1867-F1888 HydrophobicContact CG-CE1 3.91Å; F1867-I1890 HydrophobicContact CB-CD1 3.69Å; F1867-I1890 HydrophobicContact CD2-CD1 3.59Å; F1867-I1890 HydrophobicContact CE2-CD1 4.38Å; F1867-I1890 HydrophobicContact CG-CD1 3.74Å | ||
| 1868 | P | 73.9 | Confident | 77.5 | Confident | 93 Ų | 93 | 66.8 Ų | 66.8 | 60% | 0.604 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -28.2 | -174.2 | 24.8 | -34.2 | 0 | 0 | 0 | 113.6 | T1864 A1870 | T1864-P1868 WeakPolarHBondContact O-CA 3.37Å; P1868-A1870 VanDerWaalsContact C-N 3.29Å |
| 1869 | D | 72.2 | Confident | 76.2 | Confident | 143 Ų | 143 | 68.2 Ų | 68.2 | 77% | 0.765 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -6.1 | 178.3 | -59.2 | -31.4 | 0 | 0 | 0 | 112.9 | F1867 | F1867-D1869 VanDerWaalsContact C-N 3.25Å; F1867-D1869 PolarHBondContact O-N 2.85Å |
| 1870 | A | 75.6 | Confident | 74.6 | Confident | 14 Ų | 14 | 73.2 Ų | 73.2 | 12% | 0.116 | 40% | 0.396 | C | S | . | . | trans | -82.3 | 130.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | F1867 P1868 I1872 F1888 I1890 | F1867-A1870 HydrophobicContact CB-CB 3.69Å; F1867-A1870 VanDerWaalsContact O-CB 3.26Å; F1867-A1870 WeakPolarHBondContact O-CB 3.34Å; F1867-A1870 PolarHBondContact O-N 2.95Å; P1868-A1870 VanDerWaalsContact C-N 3.29Å; A1870-I1872 PolarHBondContact O-N 2.85Å; A1870-F1888 CarbonylContact C-O 3.57Å; A1870-F1888 WeakPolarHBondContact CA-O 3.49Å; A1870-F1888 HydrophobicContact CB-CD1 3.35Å; A1870-F1888 HydrophobicContact CB-CE1 3.65Å; A1870-F1888 HydrophobicContact CB-CG 4.24Å; A1870-I1890 HydrophobicContact CB-CD1 3.45Å; A1870-I1890 VanDerWaalsContact CB-CD1 3.45Å; A1870-I1890 HydrophobicContact CB-CG1 3.8Å | ||
| 1871 | K | 80.1 | Confident | 73.1 | Confident | 137 Ų | 137 | 75 Ų | 75 | 60% | 0.596 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 115.9 | 168.9 | -176.5 | 177.2 | -179.2 | 177.5 | 0 | 110 | L1873 F1888 C1889 I1890 | K1871-L1873 PolarHBondContact O-N 3.34Å; K1871-F1888 PolarHBondContact N-O 3.19Å; K1871-C1889 WeakPolarHBondContact O-CA 3.49Å; K1871-I1890 PolarHBondContact O-N 3.01Å |
| 1872 | I | 82.6 | Confident | 71.7 | Confident | 53 Ų | 53 | 73.3 Ų | 73.3 | 27% | 0.272 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 126.3 | 174.3 | -63.4 | 178 | 0 | 0 | 0 | 109.7 | L1860 T1864 A1870 I1890 | L1860-I1872 HydrophobicContact CD2-CD1 4.31Å; L1860-I1872 HydrophobicContact CD2-CG2 3.87Å; T1864-I1872 WeakPolarHBondContact OG1-CD1 3.36Å; A1870-I1872 PolarHBondContact O-N 2.85Å; I1872-I1890 CarbonylContact C-O 3.42Å; I1872-I1890 WeakPolarHBondContact CA-O 3.25Å |
| 1873 | L | 79.9 | Confident | 70.4 | Confident | 29 Ų | 29 | 76.7 Ų | 76.7 | 15% | 0.152 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 136.1 | 179 | -61.7 | 177 | 0 | 0 | 0 | 110.5 | Y1833 K1871 Q1875 L1877 C1889 I1890 F1891 | Y1833-L1873 HydrophobicContact CD2-CD1 4.03Å; Y1833-L1873 HydrophobicContact CE2-CD1 4.33Å; K1871-L1873 PolarHBondContact O-N 3.34Å; L1873-Q1875 VanDerWaalsContact C-N 3.34Å; L1873-L1877 HydrophobicContact CD1-CD1 3.42Å; L1873-L1877 VanDerWaalsContact CD1-CD1 3.42Å; L1873-L1877 HydrophobicContact CD1-CD2 4.47Å; L1873-L1877 HydrophobicContact CD1-CG 3.67Å; L1873-C1889 HydrophobicContact CD1-CB 3.62Å; L1873-C1889 HydrophobicContact CD2-CB 4.23Å; L1873-C1889 HydrophobicContact CG-CB 3.8Å; L1873-I1890 PolarHBondContact N-O 3.45Å; L1873-F1891 HydrophobicContact CB-CB 4.23Å; L1873-F1891 WeakPolarHBondContact O-CD2 3.43Å |
| 1874 | N | 75.3 | Confident | 69.2 | Low | 153 Ų | 153 | 81.4 Ų | 81.4 | 82% | 0.818 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -81.9 | -16.4 | 173.3 | -65.1 | -17.8 | 0 | 0 | 0 | 112.7 | ||
| 1875 | Q | 69.5 | Low | 68.1 | Low | 135 Ų | 135 | 79.8 Ų | 79.8 | 63% | 0.631 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -140.4 | 145.2 | 179.4 | -64.9 | -173.2 | 16.2 | 0 | 0 | 110.1 | L1873 F1891 | L1873-Q1875 VanDerWaalsContact C-N 3.34Å; Q1875-F1891 VanDerWaalsContact C-CD2 3.5Å |
| 1876 | P | 71 | Confident | 67.5 | Low | 27 Ų | 27 | 79.7 Ų | 79.7 | 18% | 0.175 | 44% | 0.444 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 147.5 | 177.9 | 29.2 | -33.8 | 0 | 0 | 0 | 110.6 | E1831 Y1833 F1891 | E1831-P1876 WeakPolarHBondContact OE2-CB 3.42Å; Y1833-P1876 WeakPolarHBondContact OH-CB 3.32Å; P1876-F1891 HydrophobicContact CB-CD1 3.95Å; P1876-F1891 HydrophobicContact CB-CE1 4.13Å; P1876-F1891 HydrophobicContact CB-CG 4.2Å; P1876-F1891 HydrophobicContact CG-CE1 4.3Å; P1876-F1891 HydrophobicContact CG-CZ 4.34Å |
| 1877 | L | 65.8 | Low | 67.2 | Low | 34 Ų | 34 | 82.8 Ų | 82.8 | 18% | 0.178 | 46% | 0.464 | C | S | . | . | P | Polyproline II helix | trans | -77.9 | 128.6 | -179 | -73.1 | 151.5 | 0 | 0 | 0 | 111.1 | Y1833 L1873 N1881 Q1882 L1885 | Y1833-L1877 HydrophobicContact CD1-CB 4.07Å; Y1833-L1877 HydrophobicContact CD1-CD1 3.57Å; Y1833-L1877 HydrophobicContact CD1-CG 4.43Å; Y1833-L1877 HydrophobicContact CD2-CD1 3.83Å; Y1833-L1877 HydrophobicContact CE1-CB 3.75Å; Y1833-L1877 HydrophobicContact CE1-CD1 4.05Å; Y1833-L1877 HydrophobicContact CE1-CG 4.45Å; Y1833-L1877 HydrophobicContact CE2-CD1 4.29Å; Y1833-L1877 HydrophobicContact CG-CD1 3.43Å; Y1833-L1877 VanDerWaalsContact CG-CD1 3.43Å; Y1833-L1877 PolarHBondContact OH-N 2.98Å; L1873-L1877 HydrophobicContact CD1-CD1 3.42Å; L1873-L1877 VanDerWaalsContact CD1-CD1 3.42Å; L1873-L1877 HydrophobicContact CD1-CD2 4.47Å; L1873-L1877 HydrophobicContact CD1-CG 3.67Å; L1877-N1881 HydrophobicContact CD2-CB 4.01Å; L1877-Q1882 HydrophobicContact CB-CG 4.12Å; L1877-Q1882 PolarHBondContact O-NE2 3.26Å; L1877-L1885 HydrophobicContact CD1-CD1 3.36Å; L1877-L1885 HydrophobicContact CD1-CD2 3.9Å; L1877-L1885 HydrophobicContact CD1-CG 4.21Å; L1877-L1885 HydrophobicContact CD2-CD1 4.07Å; L1877-L1885 HydrophobicContact CG-CD1 4.24Å |
| 1878 | T | 62 | Low | 67.1 | Low | 81 Ų | 81 | 83.7 Ų | 83.7 | 50% | 0.497 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 150.8 | 171.4 | 53.3 | 0 | 0 | 0 | 0 | 110.6 | T1880 N1881 Q1882 | T1878-T1880 PolarHBondContact O-N 3.06Å; T1878-N1881 PolarHBondContact O-N 3.18Å; T1878-N1881 PolarHBondContact OG1-ND2 3.39Å; T1878-Q1882 PolarHBondContact O-N 2.99Å |
| 1879 | T | 58.4 | Low | 67.4 | Low | 119 Ų | 119 | 79.5 Ų | 79.5 | 73% | 0.73 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -30.4 | -176.7 | 48.2 | 0 | 0 | 0 | 0 | 113.5 | ||
| 1880 | T | 51.3 | Low | 68 | Low | 108 Ų | 108 | 72.8 Ų | 72.8 | 66% | 0.663 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -30.9 | 177.7 | -30.3 | 0 | 0 | 0 | 0 | 113.9 | T1878 S1883 | T1878-T1880 PolarHBondContact O-N 3.06Å; T1880-S1883 PolarHBondContact O-OG 3.27Å |
| 1881 | N | 53.9 | Low | 68.4 | Low | 82 Ų | 82 | 72.5 Ų | 72.5 | 44% | 0.439 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -10.4 | -177.9 | -67.6 | -11.7 | 0 | 0 | 0 | 112.7 | L1877 T1878 T1884 L1885 | L1877-N1881 HydrophobicContact CD2-CB 4.01Å; T1878-N1881 PolarHBondContact O-N 3.18Å; T1878-N1881 PolarHBondContact OG1-ND2 3.39Å; N1881-T1884 PolarHBondContact O-OG1 3.29Å; N1881-L1885 WeakPolarHBondContact O-CD1 3.27Å |
| 1882 | Q | 55.9 | Low | 68.6 | Low | 59 Ų | 59 | 66.6 Ų | 66.6 | 28% | 0.276 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -70.2 | -34.2 | -176.4 | -72.3 | 178.5 | 14.4 | 0 | 0 | 112.7 | Y1833 L1877 T1878 T1884 | Y1833-Q1882 HydrophobicContact CD1-CG 4.47Å; L1877-Q1882 HydrophobicContact CB-CG 4.12Å; L1877-Q1882 PolarHBondContact O-NE2 3.26Å; T1878-Q1882 PolarHBondContact O-N 2.99Å; Q1882-T1884 PolarHBondContact O-N 2.99Å |
| 1883 | S | 56.1 | Low | 68.5 | Low | 109 Ų | 109 | 64.2 Ų | 64.2 | 76% | 0.762 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -71.6 | -13.2 | -179.5 | 49.4 | 0 | 0 | 0 | 0 | 114 | T1880 | T1880-S1883 PolarHBondContact O-OG 3.27Š|
| 1884 | T | 56.5 | Low | 68.4 | Low | 100 Ų | 100 | 64.8 Ų | 64.8 | 61% | 0.613 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -103.6 | 8 | -177.1 | 51.5 | 0 | 0 | 0 | 0 | 114.1 | N1881 Q1882 N1886 | N1881-T1884 PolarHBondContact O-OG1 3.29Å; Q1882-T1884 PolarHBondContact O-N 2.99Å; T1884-N1886 PolarHBondContact O-N 3.21Å |
| 1885 | L | 59 | Low | 69 | Low | 28 Ų | 28 | 61.9 Ų | 61.9 | 15% | 0.147 | 36% | 0.363 | C | S | . | . | trans | -78.1 | 111.5 | -178.9 | -90.7 | 116.3 | 0 | 0 | 0 | 112.7 | L1877 N1881 T1887 C1889 | L1877-L1885 HydrophobicContact CD1-CD1 3.36Å; L1877-L1885 HydrophobicContact CD1-CD2 3.9Å; L1877-L1885 HydrophobicContact CD1-CG 4.21Å; L1877-L1885 HydrophobicContact CD2-CD1 4.07Å; L1877-L1885 HydrophobicContact CG-CD1 4.24Å; N1881-L1885 WeakPolarHBondContact O-CD1 3.27Å; L1885-T1887 WeakPolarHBondContact CD2-O 3.31Å; L1885-C1889 HydrophobicContact CD2-CB 3.82Å; L1885-C1889 WeakPolarHBondContact CD2-SG 3.2Å | ||
| 1886 | N | 67 | Low | 70 | Confident | 152 Ų | 152 | 55.5 Ų | 55.5 | 81% | 0.813 | 33% | 0.334 | S | S | * | . | trans | -91.3 | -0.1 | 169.8 | -68.3 | -3.4 | 0 | 0 | 0 | 112.9 | T1884 | T1884-N1886 PolarHBondContact O-N 3.21Š| ||
| 1887 | T | 69.4 | Low | 70.7 | Confident | 76 Ų | 76 | 58.9 Ų | 58.9 | 47% | 0.466 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -140 | 142.1 | -171.1 | -31.2 | 0 | 0 | 0 | 0 | 110.6 | L1885 C1889 | L1885-T1887 WeakPolarHBondContact CD2-O 3.31Å; T1887-C1889 PolarHBondContact O-N 3.36Å |
| 1888 | F | 74.6 | Confident | 71.9 | Confident | 26 Ų | 26 | 58.4 Ų | 58.4 | 11% | 0.114 | 35% | 0.346 | C | S | . | . | trans | -64.4 | 131.3 | 174 | -179.8 | -132 | 0 | 0 | 0 | 110.1 | F1832 Y1833 E1834 F1867 A1870 K1871 I1890 | F1832-F1888 HydrophobicContact CB-CE2 4.37Å; F1832-F1888 HydrophobicContact CD1-CE2 4.05Å; F1832-F1888 AromaticContact CD1-CZ 3.67Å; F1832-F1888 HydrophobicContact CD1-CZ 3.67Å; F1832-F1888 HydrophobicContact CE1-CZ 4.3Å; Y1833-F1888 WeakPolarHBondContact O-CD2 3.37Å; E1834-F1888 HydrophobicContact CB-CD2 4.44Å; E1834-F1888 HydrophobicContact CG-CD2 3.28Å; E1834-F1888 HydrophobicContact CG-CE2 3.47Å; E1834-F1888 VanDerWaalsContact CG-CE2 3.47Å; E1834-F1888 HydrophobicContact CG-CG 4.41Å; E1834-F1888 WeakPolarHBondContact OE1-CE2 3.45Å; F1867-F1888 HydrophobicContact CB-CE1 3.96Å; F1867-F1888 AromaticContact CD1-CE1 3.61Å; F1867-F1888 HydrophobicContact CD1-CE1 3.61Å; F1867-F1888 HydrophobicContact CD1-CZ 4.14Å; F1867-F1888 HydrophobicContact CE1-CE1 4.29Å; F1867-F1888 HydrophobicContact CE1-CZ 4.39Å; F1867-F1888 AromaticContact CG-CE1 3.91Å; F1867-F1888 HydrophobicContact CG-CE1 3.91Å; A1870-F1888 CarbonylContact C-O 3.57Å; A1870-F1888 WeakPolarHBondContact CA-O 3.49Å; A1870-F1888 HydrophobicContact CB-CD1 3.35Å; A1870-F1888 HydrophobicContact CB-CE1 3.65Å; A1870-F1888 HydrophobicContact CB-CG 4.24Å; K1871-F1888 PolarHBondContact N-O 3.19Å; F1888-I1890 HydrophobicContact CE1-CD1 3.85Å; F1888-I1890 HydrophobicContact CE1-CG1 4.06Å; F1888-I1890 HydrophobicContact CZ-CD1 4.11Å; F1888-I1890 HydrophobicContact CZ-CG1 4.02Å | ||
| 1889 | C | 80.1 | Confident | 73 | Confident | 5 Ų | 5 | 57 Ų | 57 | 3% | 0.034 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 140.6 | -175.2 | -73.6 | 0 | 0 | 0 | 0 | 110.8 | Y1833 K1871 L1873 L1885 T1887 | Y1833-C1889 PolarHBondContact N-O 3.2Å; Y1833-C1889 PolarHBondContact O-N 3.2Å; K1871-C1889 WeakPolarHBondContact O-CA 3.49Å; L1873-C1889 HydrophobicContact CD1-CB 3.62Å; L1873-C1889 HydrophobicContact CD2-CB 4.23Å; L1873-C1889 HydrophobicContact CG-CB 3.8Å; L1885-C1889 HydrophobicContact CD2-CB 3.82Å; L1885-C1889 WeakPolarHBondContact CD2-SG 3.2Å; T1887-C1889 PolarHBondContact O-N 3.36Å |
| 1890 | I | 83.6 | Confident | 74.2 | Confident | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 129.4 | -179.8 | -60.6 | 171.2 | 0 | 0 | 0 | 108.6 | I1830 F1832 L1863 F1867 A1870 K1871 I1872 L1873 F1888 | I1830-I1890 HydrophobicContact CG2-CG2 4Å; F1832-I1890 HydrophobicContact CD1-CD1 4.21Å; F1832-I1890 HydrophobicContact CD1-CG1 3.83Å; F1832-I1890 HydrophobicContact CE1-CD1 3.93Å; F1832-I1890 HydrophobicContact CE1-CG1 4Å; F1832-I1890 HydrophobicContact CE1-CG2 4.39Å; L1863-I1890 HydrophobicContact CD1-CG2 4.13Å; F1867-I1890 HydrophobicContact CB-CD1 3.69Å; F1867-I1890 HydrophobicContact CD2-CD1 3.59Å; F1867-I1890 HydrophobicContact CE2-CD1 4.38Å; F1867-I1890 HydrophobicContact CG-CD1 3.74Å; A1870-I1890 HydrophobicContact CB-CD1 3.45Å; A1870-I1890 VanDerWaalsContact CB-CD1 3.45Å; A1870-I1890 HydrophobicContact CB-CG1 3.8Å; K1871-I1890 PolarHBondContact O-N 3.01Å; I1872-I1890 CarbonylContact C-O 3.42Å; I1872-I1890 WeakPolarHBondContact CA-O 3.25Å; L1873-I1890 PolarHBondContact N-O 3.45Å; F1888-I1890 HydrophobicContact CE1-CD1 3.85Å; F1888-I1890 HydrophobicContact CE1-CG1 4.06Å; F1888-I1890 HydrophobicContact CZ-CD1 4.11Å; F1888-I1890 HydrophobicContact CZ-CG1 4.02Å |
| 1891 | F | 83.9 | Confident | 75.7 | Confident | 8 Ų | 8 | 53.8 Ų | 53.8 | 4% | 0.035 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 122.8 | 171.3 | 170.7 | -101.8 | 0 | 0 | 0 | 109.1 | E1831 Y1833 L1873 Q1875 P1876 | E1831-F1891 HydrophobicContact CB-CB 4.29Å; E1831-F1891 HydrophobicContact CB-CD1 4.24Å; E1831-F1891 HydrophobicContact CG-CD1 4.01Å; E1831-F1891 PolarHBondContact N-O 2.93Å; E1831-F1891 PolarHBondContact O-N 3.42Å; Y1833-F1891 HydrophobicContact CE2-CB 3.89Å; L1873-F1891 HydrophobicContact CB-CB 4.23Å; L1873-F1891 WeakPolarHBondContact O-CD2 3.43Å; Q1875-F1891 VanDerWaalsContact C-CD2 3.5Å; P1876-F1891 HydrophobicContact CB-CD1 3.95Å; P1876-F1891 HydrophobicContact CB-CE1 4.13Å; P1876-F1891 HydrophobicContact CB-CG 4.2Å; P1876-F1891 HydrophobicContact CG-CE1 4.3Å; P1876-F1891 HydrophobicContact CG-CZ 4.34Å |
| 1892 | A | 85.4 | Confident | 77 | Confident | 13 Ų | 13 | 51.6 Ų | 51.6 | 11% | 0.107 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 124.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | L1829 L1856 L1860 L1863 | L1829-A1892 CarbonylContact O-C 3.56Å; L1829-A1892 WeakPolarHBondContact O-CA 2.99Å; L1856-A1892 HydrophobicContact CD1-CB 4.22Å; L1860-A1892 HydrophobicContact CD2-CB 3.8Å; L1863-A1892 HydrophobicContact CD1-CB 4.21Å |
| 1893 | S | 79.9 | Confident | 78.2 | Confident | 3 Ų | 3 | 50.6 Ų | 50.6 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 165.8 | 174.3 | 82.7 | 0 | 0 | 0 | 0 | 111.7 | L1829 | L1829-S1893 VanDerWaalsContact CB-OG 3.25Å; L1829-S1893 WeakPolarHBondContact CB-OG 3.32Å; L1829-S1893 PolarHBondContact N-OG 2.92Å; L1829-S1893 PolarHBondContact O-N 3.35Å |
| 1894 | G | 78.3 | Confident | 79.3 | Confident | 42 Ų | 42 | 53.7 Ų | 53.7 | 43% | 0.433 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 171.3 | 163.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1896 | G1894-L1896 PolarHBondContact O-N 3.27Å |
| 1895 | N | 86.3 | Confident | 80.3 | Confident | 91 Ų | 91 | 55.5 Ų | 55.5 | 49% | 0.487 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.6 | 125.1 | -179.5 | -175.9 | 54.4 | 0 | 0 | 0 | 111.3 | R1826 Y1827 Y1828 | R1826-N1895 WeakPolarHBondContact CA-OD1 3.5Å; R1826-N1895 WeakPolarHBondContact CB-OD1 3.39Å; Y1827-N1895 PolarHBondContact N-OD1 2.78Å; Y1827-N1895 CarbonylContact O-C 3.59Å; Y1827-N1895 WeakPolarHBondContact O-CA 3.46Å; Y1827-N1895 PolarHBondContact O-OD1 3.35Å; Y1828-N1895 HydrophobicContact CE1-CB 4.17Å |
| 1896 | L | 90.4 | Very high | 81.3 | Confident | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -76.8 | 151.2 | 176.3 | -57.6 | 176.1 | 0 | 0 | 0 | 110.5 | Y1827 L1829 I1849 G1894 P1898 F1927 R1929 Y1952 | Y1827-L1896 PolarHBondContact O-N 3.33Å; L1829-L1896 HydrophobicContact CB-CD1 4.08Å; L1829-L1896 HydrophobicContact CB-CD2 4.26Å; L1829-L1896 HydrophobicContact CB-CG 4.46Å; I1849-L1896 HydrophobicContact CD1-CD1 4.17Å; I1849-L1896 HydrophobicContact CG1-CD1 4.26Å; I1849-L1896 HydrophobicContact CG2-CD1 4.35Å; G1894-L1896 PolarHBondContact O-N 3.27Å; L1896-P1898 WeakPolarHBondContact O-CD 3.27Å; L1896-F1927 HydrophobicContact CB-CB 4.09Å; L1896-F1927 HydrophobicContact CB-CD1 4.37Å; L1896-F1927 HydrophobicContact CD1-CB 3.87Å; L1896-F1927 HydrophobicContact CD1-CG 4.36Å; L1896-R1929 HydrophobicContact CD2-CB 3.89Å; L1896-R1929 HydrophobicContact CD2-CG 4.34Å; L1896-Y1952 HydrophobicContact CD2-CD2 4.44Å; L1896-Y1952 HydrophobicContact CD2-CE2 4.26Å |
| 1897 | E | 86.9 | Confident | 81.5 | Confident | 98 Ų | 98 | 52.6 Ų | 52.6 | 46% | 0.458 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 112.8 | 175.3 | -174.2 | -179.9 | -167.9 | 0 | 0 | 109.5 | F1927 L1928 H1930 | E1897-F1927 CarbonylContact O-C 3.56Å; E1897-F1927 WeakPolarHBondContact O-CA 3.1Å; E1897-L1928 HydrophobicContact CB-CB 4.33Å; E1897-L1928 PolarHBondContact N-O 3.18Å; E1897-L1928 PolarHBondContact O-N 3.48Å; E1897-H1930 IonicContact OE2-CE1 3.19Å; E1897-H1930 PolarHBondContact OE2-CE1 3.24Å; E1897-H1930 IonicContact OE2-ND1 2.72Å |
| 1898 | P | 90.2 | Very high | 81.5 | Confident | 24 Ų | 24 | 51.9 Ų | 51.9 | 16% | 0.156 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 135.5 | 175.5 | 26 | -32.3 | 0 | 0 | 0 | 111.2 | L1896 S1920 K1921 V1924 F1927 | L1896-P1898 WeakPolarHBondContact O-CD 3.27Å; P1898-S1920 VanDerWaalsContact CG-O 3.25Å; P1898-S1920 WeakPolarHBondContact CG-O 3.48Å; P1898-K1921 HydrophobicContact CG-CG 4.44Å; P1898-V1924 HydrophobicContact CB-CB 4.26Å; P1898-V1924 HydrophobicContact CB-CG1 3.69Å; P1898-V1924 HydrophobicContact CB-CG2 3.88Å; P1898-F1927 HydrophobicContact CB-CD1 4.36Å; P1898-F1927 HydrophobicContact CB-CE1 4.3Å |
| 1899 | E | 86.7 | Confident | 81.1 | Confident | 52 Ų | 52 | 62.8 Ų | 62.8 | 24% | 0.243 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 115.9 | 173.7 | -167.3 | 171.1 | -170.5 | 0 | 0 | 109.5 | E1901 Y1926 L1928 R1951 | E1899-E1901 PolarHBondContact O-N 3.19Å; E1899-Y1926 PolarHBondContact N-O 3.13Å; E1899-L1928 HydrophobicContact CB-CD1 4.44Å; E1899-R1951 IonicContact OE1-CZ 3.81Å; E1899-R1951 IonicContact OE1-NE 2.82Å; E1899-R1951 IonicContact OE1-NH2 2.87Å; E1899-R1951 PolarHBondContact OE1-NH2 3Å; E1899-R1951 IonicContact OE2-CZ 3.55Å; E1899-R1951 IonicContact OE2-NE 3.39Å; E1899-R1951 PolarHBondContact OE2-NE 3.04Å; E1899-R1951 IonicContact OE2-NH2 2.81Å; E1899-R1951 PolarHBondContact OE2-NH2 2.87Å; E1899-R1951 VanDerWaalsContact OE2-NH2 3.1Å |
| 1900 | P | 83.2 | Confident | 80.8 | Confident | 74 Ų | 74 | 70.3 Ų | 70.3 | 48% | 0.481 | 36% | 0.362 | S | S | . | . | trans | -66.9 | 130.3 | -175.2 | 20.9 | -29.9 | 0 | 0 | 0 | 113.2 | V1902 Y1919 | P1900-V1902 HydrophobicContact CB-CG2 4.45Å; P1900-Y1919 WeakPolarHBondContact CA-O 3.39Å | ||
| 1901 | E | 81.7 | Confident | 80.5 | Confident | 84 Ų | 84 | 71.8 Ų | 71.8 | 39% | 0.393 | 37% | 0.371 | S | S | . | . | trans | -108.8 | 86.9 | 165.4 | -73.9 | -171.3 | 146.5 | 0 | 0 | 109.4 | E1899 P1903 Y1926 | E1899-E1901 PolarHBondContact O-N 3.19Å; E1901-P1903 WeakPolarHBondContact O-CD 3.34Å; E1901-Y1926 HydrophobicContact CG-CE2 4.39Å; E1901-Y1926 WeakPolarHBondContact OE1-CE2 3.47Å | ||
| 1902 | V | 81.2 | Confident | 80.1 | Confident | 37 Ų | 37 | 74.2 Ų | 74.2 | 22% | 0.224 | 39% | 0.385 | C | S | . | . | trans | -79 | 125.4 | 178.1 | -176.4 | 0 | 0 | 0 | 0 | 109.6 | P1900 L1906 N1907 | P1900-V1902 HydrophobicContact CB-CG2 4.45Å; V1902-L1906 HydrophobicContact CG1-CB 3.78Å; V1902-N1907 WeakPolarHBondContact CG1-OD1 3.33Å | ||
| 1903 | P | 81.7 | Confident | 79.5 | Confident | 37 Ų | 37 | 78.1 Ų | 78.1 | 24% | 0.24 | 41% | 0.407 | C | S | . | . | trans | -52.7 | 139.6 | 174.8 | -27.5 | 33.4 | 0 | 0 | 0 | 112.9 | E1901 H1905 L1906 Y1919 | E1901-P1903 WeakPolarHBondContact O-CD 3.34Å; P1903-H1905 WeakPolarHBondContact CB-CE1 3.31Å; P1903-H1905 WeakPolarHBondContact CB-ND1 3.42Å; P1903-H1905 PolarHBondContact O-N 3.3Å; P1903-H1905 VanDerWaalsContact O-N 3.1Å; P1903-L1906 HydrophobicContact CB-CD1 4.39Å; P1903-L1906 HydrophobicContact CB-CG 4.49Å; P1903-L1906 HydrophobicContact CG-CD1 4.19Å; P1903-L1906 PolarHBondContact O-N 3.36Å; P1903-Y1919 HydrophobicContact CG-CD1 4.13Å; P1903-Y1919 HydrophobicContact CG-CE1 3.59Å; P1903-Y1919 HydrophobicContact CG-CE2 4.37Å | ||
| 1904 | E | 79.1 | Confident | 79.3 | Confident | 175 Ų | 175 | 81.4 Ų | 81.4 | 82% | 0.818 | 42% | 0.421 | S | S | * | . | G | 310 helix | trans | -54.5 | -37.3 | -173.1 | -66.7 | -175.2 | 168.7 | 0 | 0 | 113.7 | L1906 N1907 | E1904-L1906 PolarHBondContact O-N 3.08Å; E1904-N1907 WeakPolarHBondContact O-CB 3.39Å; E1904-N1907 PolarHBondContact O-N 3.03Å; E1904-N1907 VanDerWaalsContact O-N 3.1Å |
| 1905 | H | 78.2 | Confident | 79.5 | Confident | 138 Ų | 138 | 82 Ų | 82 | 64% | 0.639 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -65.8 | -24.4 | 179.2 | 69.1 | -86 | 0 | 0 | 0 | 113.4 | P1903 | P1903-H1905 WeakPolarHBondContact CB-CE1 3.31Å; P1903-H1905 WeakPolarHBondContact CB-ND1 3.42Å; P1903-H1905 PolarHBondContact O-N 3.3Å; P1903-H1905 VanDerWaalsContact O-N 3.1Å |
| 1906 | L | 79.1 | Confident | 79.2 | Confident | 19 Ų | 19 | 80.1 Ų | 80.1 | 10% | 0.099 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -87.6 | -8.5 | 176.6 | -60.6 | 177.2 | 0 | 0 | 0 | 112.7 | V1902 P1903 E1904 S1908 V1911 I1915 K1916 Y1919 | V1902-L1906 HydrophobicContact CG1-CB 3.78Å; P1903-L1906 HydrophobicContact CB-CD1 4.39Å; P1903-L1906 HydrophobicContact CB-CG 4.49Å; P1903-L1906 HydrophobicContact CG-CD1 4.19Å; P1903-L1906 PolarHBondContact O-N 3.36Å; E1904-L1906 PolarHBondContact O-N 3.08Å; L1906-S1908 PolarHBondContact O-N 3.46Å; L1906-V1911 HydrophobicContact CD2-CG1 4.15Å; L1906-V1911 HydrophobicContact CD2-CG2 4.49Å; L1906-I1915 HydrophobicContact CD1-CG2 4.16Å; L1906-I1915 HydrophobicContact CD2-CG2 4.15Å; L1906-K1916 WeakPolarHBondContact O-CE 3.5Å; L1906-K1916 PolarHBondContact O-NZ 2.92Å; L1906-Y1919 HydrophobicContact CD1-CD2 4Å; L1906-Y1919 HydrophobicContact CD1-CE2 3.29Å |
| 1907 | N | 71.1 | Confident | 78.7 | Confident | 99 Ų | 99 | 84.7 Ų | 84.7 | 53% | 0.529 | 43% | 0.426 | S | S | . | . | G | 310 helix | trans | -73.7 | -4.7 | 178.6 | -77.1 | -26.2 | 0 | 0 | 0 | 114 | V1902 E1904 | V1902-N1907 WeakPolarHBondContact CG1-OD1 3.33Å; E1904-N1907 WeakPolarHBondContact O-CB 3.39Å; E1904-N1907 PolarHBondContact O-N 3.03Å; E1904-N1907 VanDerWaalsContact O-N 3.1Å |
| 1908 | S | 69.1 | Low | 78.6 | Confident | 61 Ų | 61 | 80.3 Ų | 80.3 | 43% | 0.427 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -63.7 | 149.4 | 174.5 | 68.9 | 0 | 0 | 0 | 0 | 112.6 | L1906 I1910 V1911 K1916 | L1906-S1908 PolarHBondContact O-N 3.46Å; S1908-I1910 PolarHBondContact O-N 2.63Å; S1908-V1911 WeakPolarHBondContact OG-CG2 3.03Å; S1908-K1916 PolarHBondContact O-NZ 3.48Å |
| 1909 | R | 66.3 | Low | 78.4 | Confident | 255 Ų | 255 | 81.1 Ų | 81.1 | 96% | 0.962 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -13.3 | -175.7 | -83.6 | -173.7 | 179.9 | -171.8 | -0.2 | 114.6 | ||
| 1910 | I | 75.2 | Confident | 78.2 | Confident | 164 Ų | 164 | 80.6 Ų | 80.6 | 84% | 0.841 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | -9.8 | -170.4 | -55.4 | 172.5 | 0 | 0 | 0 | 112.2 | S1908 | S1908-I1910 PolarHBondContact O-N 2.63Š|
| 1911 | V | 75.6 | Confident | 78.1 | Confident | 32 Ų | 32 | 82.2 Ų | 82.2 | 19% | 0.194 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -76.3 | 133.5 | -176.2 | 176.8 | 0 | 0 | 0 | 0 | 111 | L1906 S1908 T1913 I1915 K1916 | L1906-V1911 HydrophobicContact CD2-CG1 4.15Å; L1906-V1911 HydrophobicContact CD2-CG2 4.49Å; S1908-V1911 WeakPolarHBondContact OG-CG2 3.03Å; V1911-T1913 PolarHBondContact O-N 2.72Å; V1911-I1915 HydrophobicContact CG1-CB 4.09Å; V1911-I1915 HydrophobicContact CG1-CD1 4.2Å; V1911-I1915 HydrophobicContact CG1-CG2 4.32Å; V1911-K1916 HydrophobicContact CG1-CG 4.17Å |
| 1912 | D | 76 | Confident | 78.4 | Confident | 59 Ų | 59 | 78.9 Ų | 78.9 | 32% | 0.316 | 39% | 0.392 | S | S | . | . | trans | -55.6 | 127.8 | 175.5 | -168 | -31.9 | 0 | 0 | 0 | 110.4 | K1914 I1915 | D1912-K1914 PolarHBondContact O-N 3.11Å; D1912-K1914 VanDerWaalsContact O-N 3.09Å; D1912-K1914 WeakPolarHBondContact OD1-CG 3.18Å; D1912-K1914 PolarHBondContact OD1-N 2.68Å; D1912-I1915 HydrophobicContact CB-CD1 4.2Å; D1912-I1915 HydrophobicContact CB-CG1 4.36Å; D1912-I1915 WeakPolarHBondContact O-CB 3.5Å; D1912-I1915 PolarHBondContact O-N 2.98Å | ||
| 1913 | T | 73.9 | Confident | 78.7 | Confident | 95 Ų | 95 | 80.2 Ų | 80.2 | 58% | 0.583 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -49.9 | -32.6 | 175.7 | 51.6 | 0 | 0 | 0 | 0 | 113.2 | V1911 I1915 K1916 N1917 | V1911-T1913 PolarHBondContact O-N 2.72Å; T1913-I1915 VanDerWaalsContact C-N 3.29Å; T1913-I1915 PolarHBondContact O-N 3.47Å; T1913-K1916 PolarHBondContact O-N 3.07Å; T1913-N1917 PolarHBondContact O-N 3.26Å; T1913-N1917 PolarHBondContact O-ND2 3.4Å; T1913-N1917 PolarHBondContact O-OD1 3.4Å |
| 1914 | K | 76 | Confident | 79.1 | Confident | 72 Ų | 72 | 78.4 Ų | 78.4 | 31% | 0.313 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.6 | -35.5 | 178.8 | -65.4 | -179.3 | -174.6 | -176.8 | 0 | 112.9 | V1816 N1818 D1912 N1917 | V1816-K1914 VanDerWaalsContact O-CD 3.24Å; V1816-K1914 WeakPolarHBondContact O-CD 3.49Å; V1816-K1914 PolarHBondContact O-NZ 2.88Å; N1818-K1914 HydrophobicContact CB-CD 4.5Å; D1912-K1914 PolarHBondContact O-N 3.11Å; D1912-K1914 VanDerWaalsContact O-N 3.09Å; D1912-K1914 WeakPolarHBondContact OD1-CG 3.18Å; D1912-K1914 PolarHBondContact OD1-N 2.68Å; K1914-N1917 PolarHBondContact O-N 2.99Å |
| 1915 | I | 81.1 | Confident | 79.6 | Confident | 53 Ų | 53 | 73 Ų | 73 | 27% | 0.272 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -69.6 | -43.2 | 177.5 | -59.6 | 170.6 | 0 | 0 | 0 | 109.7 | I1815 L1906 V1911 D1912 T1913 N1917 Y1918 | I1815-I1915 HydrophobicContact CG2-CG1 4.21Å; L1906-I1915 HydrophobicContact CD1-CG2 4.16Å; L1906-I1915 HydrophobicContact CD2-CG2 4.15Å; V1911-I1915 HydrophobicContact CG1-CB 4.09Å; V1911-I1915 HydrophobicContact CG1-CD1 4.2Å; V1911-I1915 HydrophobicContact CG1-CG2 4.32Å; D1912-I1915 HydrophobicContact CB-CD1 4.2Å; D1912-I1915 HydrophobicContact CB-CG1 4.36Å; D1912-I1915 WeakPolarHBondContact O-CB 3.5Å; D1912-I1915 PolarHBondContact O-N 2.98Å; T1913-I1915 VanDerWaalsContact C-N 3.29Å; T1913-I1915 PolarHBondContact O-N 3.47Å; I1915-N1917 VanDerWaalsContact C-N 3.29Å; I1915-N1917 PolarHBondContact O-N 3.38Å; I1915-Y1918 PolarHBondContact O-N 3.34Å |
| 1916 | K | 80.5 | Confident | 80.3 | Confident | 52 Ų | 52 | 68.5 Ų | 68.5 | 23% | 0.226 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.8 | -33.6 | 177.7 | -55.7 | -168.4 | -168.2 | -158.8 | 0 | 112.1 | L1906 S1908 V1911 T1913 Y1918 Y1919 | L1906-K1916 WeakPolarHBondContact O-CE 3.5Å; L1906-K1916 PolarHBondContact O-NZ 2.92Å; S1908-K1916 PolarHBondContact O-NZ 3.48Å; V1911-K1916 HydrophobicContact CG1-CG 4.17Å; T1913-K1916 PolarHBondContact O-N 3.07Å; K1916-Y1918 PolarHBondContact O-N 2.82Å; K1916-Y1919 PolarHBondContact O-N 3.22Å |
| 1917 | N | 80.7 | Confident | 81 | Confident | 98 Ų | 98 | 67.6 Ų | 67.6 | 52% | 0.524 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.8 | -27.3 | -178.9 | -72.4 | -11.2 | 0 | 0 | 0 | 113.4 | T1913 K1914 I1915 Y1919 S1920 | T1913-N1917 PolarHBondContact O-N 3.26Å; T1913-N1917 PolarHBondContact O-ND2 3.4Å; T1913-N1917 PolarHBondContact O-OD1 3.4Å; K1914-N1917 PolarHBondContact O-N 2.99Å; I1915-N1917 VanDerWaalsContact C-N 3.29Å; I1915-N1917 PolarHBondContact O-N 3.38Å; N1917-Y1919 VanDerWaalsContact C-N 3.35Å; N1917-Y1919 PolarHBondContact O-N 2.95Å; N1917-S1920 WeakPolarHBondContact O-CB 3.4Å; N1917-S1920 PolarHBondContact O-N 3.24Å; N1917-S1920 PolarHBondContact O-OG 3.12Å |
| 1918 | Y | 84.8 | Confident | 81.9 | Confident | 6 Ų | 6 | 63.5 Ų | 63.5 | 2% | 0.024 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.5 | -47.2 | 174.3 | 169 | -98.9 | 0 | 0 | 0 | 111.9 | D1776 E1778 I1915 K1916 S1920 K1921 N1922 R1923 | D1776-Y1918 WeakPolarHBondContact OD1-CE2 3.48Å; D1776-Y1918 VanDerWaalsContact OD1-CZ 3.27Å; D1776-Y1918 PolarHBondContact OD1-OH 2.82Å; E1778-Y1918 HydrophobicContact CB-CD1 4.18Å; E1778-Y1918 HydrophobicContact CB-CD2 4.46Å; E1778-Y1918 HydrophobicContact CB-CE1 3.79Å; E1778-Y1918 HydrophobicContact CB-CE2 4.07Å; E1778-Y1918 HydrophobicContact CB-CG 4.5Å; E1778-Y1918 HydrophobicContact CG-CD1 3.7Å; E1778-Y1918 HydrophobicContact CG-CD2 4.03Å; E1778-Y1918 HydrophobicContact CG-CE1 3.86Å; E1778-Y1918 HydrophobicContact CG-CE2 4.15Å; E1778-Y1918 HydrophobicContact CG-CG 3.79Å; E1778-Y1918 WeakPolarHBondContact OE1-CB 3.26Å; E1778-Y1918 WeakPolarHBondContact OE2-CD2 3.38Å; E1778-Y1918 VanDerWaalsContact OE2-CE2 3.27Å; E1778-Y1918 WeakPolarHBondContact OE2-CE2 3.19Å; I1915-Y1918 PolarHBondContact O-N 3.34Å; K1916-Y1918 PolarHBondContact O-N 2.82Å; Y1918-S1920 PolarHBondContact O-N 2.94Å; Y1918-S1920 VanDerWaalsContact O-N 3.13Å; Y1918-K1921 PolarHBondContact O-N 2.58Å; Y1918-N1922 HydrophobicContact CD2-CB 3.99Å; Y1918-N1922 WeakPolarHBondContact CD2-ND2 3.24Å; Y1918-N1922 HydrophobicContact CE1-CB 4.11Å; Y1918-N1922 HydrophobicContact CE2-CB 3.54Å; Y1918-N1922 VanDerWaalsContact CE2-ND2 3.32Å; Y1918-N1922 WeakPolarHBondContact CE2-ND2 3.36Å; Y1918-N1922 HydrophobicContact CG-CB 4.49Å; Y1918-N1922 PolarHBondContact O-N 3.17Å; Y1918-R1923 HydrophobicContact CE1-CG 3.8Å |
| 1919 | Y | 86.2 | Confident | 82.7 | Confident | 41 Ų | 41 | 62.9 Ų | 62.9 | 16% | 0.161 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -7.8 | 179.6 | -61.7 | -83 | 0 | 0 | 0 | 113.7 | P1900 P1903 L1906 K1916 N1917 K1921 N1922 R1923 | P1900-Y1919 WeakPolarHBondContact CA-O 3.39Å; P1903-Y1919 HydrophobicContact CG-CD1 4.13Å; P1903-Y1919 HydrophobicContact CG-CE1 3.59Å; P1903-Y1919 HydrophobicContact CG-CE2 4.37Å; L1906-Y1919 HydrophobicContact CD1-CD2 4Å; L1906-Y1919 HydrophobicContact CD1-CE2 3.29Å; K1916-Y1919 PolarHBondContact O-N 3.22Å; N1917-Y1919 VanDerWaalsContact C-N 3.35Å; N1917-Y1919 PolarHBondContact O-N 2.95Å; Y1919-K1921 VanDerWaalsContact C-N 3.32Å; Y1919-N1922 WeakPolarHBondContact CA-O 3.44Å; Y1919-R1923 HydrophobicContact CD1-CB 4.28Å; Y1919-R1923 HydrophobicContact CE1-CG 4.43Å |
| 1920 | S | 81.1 | Confident | 83.5 | Confident | 42 Ų | 42 | 52.8 Ų | 52.8 | 29% | 0.294 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -22.5 | 172.2 | 76.5 | 0 | 0 | 0 | 0 | 113.8 | P1898 N1917 Y1918 | P1898-S1920 VanDerWaalsContact CG-O 3.25Å; P1898-S1920 WeakPolarHBondContact CG-O 3.48Å; N1917-S1920 WeakPolarHBondContact O-CB 3.4Å; N1917-S1920 PolarHBondContact O-N 3.24Å; N1917-S1920 PolarHBondContact O-OG 3.12Å; Y1918-S1920 PolarHBondContact O-N 2.94Å; Y1918-S1920 VanDerWaalsContact O-N 3.13Å |
| 1921 | K | 82.2 | Confident | 83.6 | Confident | 107 Ų | 107 | 49.3 Ų | 49.3 | 47% | 0.465 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -133.4 | -18.9 | -176.1 | -66.8 | -173.7 | -178.9 | -175.9 | 0 | 114.3 | Y1827 P1898 Y1918 Y1919 | Y1827-K1921 WeakPolarHBondContact CE2-O 3.19Å; Y1827-K1921 PolarHBondContact OH-O 3.28Å; P1898-K1921 HydrophobicContact CG-CG 4.44Å; Y1918-K1921 PolarHBondContact O-N 2.58Å; Y1919-K1921 VanDerWaalsContact C-N 3.32Å |
| 1922 | N | 87 | Confident | 83.5 | Confident | 15 Ų | 15 | 52 Ų | 52 | 8% | 0.08 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -120.8 | 158.1 | 178 | -62.4 | -48.8 | 0 | 0 | 0 | 109.9 | R1851 Y1918 Y1919 V1924 | R1851-N1922 PolarHBondContact NH2-OD1 3.45Å; Y1918-N1922 HydrophobicContact CD2-CB 3.99Å; Y1918-N1922 WeakPolarHBondContact CD2-ND2 3.24Å; Y1918-N1922 HydrophobicContact CE1-CB 4.11Å; Y1918-N1922 HydrophobicContact CE2-CB 3.54Å; Y1918-N1922 VanDerWaalsContact CE2-ND2 3.32Å; Y1918-N1922 WeakPolarHBondContact CE2-ND2 3.36Å; Y1918-N1922 HydrophobicContact CG-CB 4.49Å; Y1918-N1922 PolarHBondContact O-N 3.17Å; Y1919-N1922 WeakPolarHBondContact CA-O 3.44Å; N1922-V1924 VanDerWaalsContact C-N 3.33Å |
| 1923 | R | 87.6 | Confident | 83.2 | Confident | 64 Ų | 64 | 52.1 Ų | 52.1 | 24% | 0.242 | 25% | 0.252 | C | S | . | . | S | Bend | trans | 59.3 | 41.5 | -170.6 | -55 | -61.2 | -169.6 | 165.2 | 7.5 | 112.7 | Y1723 H1779 D1782 Y1918 Y1919 M1958 | Y1723-R1923 VanDerWaalsContact OH-CZ 3.25Å; Y1723-R1923 PolarHBondContact OH-NH2 3.22Å; H1779-R1923 PolarHBondContact CE1-NH2 2.7Å; H1779-R1923 PolarHBondContact ND1-NH2 3.13Å; D1782-R1923 IonicContact OD2-NH2 3.32Å; Y1918-R1923 HydrophobicContact CE1-CG 3.8Å; Y1919-R1923 HydrophobicContact CD1-CB 4.28Å; Y1919-R1923 HydrophobicContact CE1-CG 4.43Å; R1923-M1958 VanDerWaalsContact CA-O 3.28Å; R1923-M1958 WeakPolarHBondContact CA-O 3.39Å; R1923-M1958 PolarHBondContact N-O 3.04Å |
| 1924 | V | 89.4 | Confident | 82.8 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 135.1 | -174.1 | -178 | 0 | 0 | 0 | 0 | 110.8 | P1898 N1922 Y1926 F1927 P1957 M1958 | P1898-V1924 HydrophobicContact CB-CB 4.26Å; P1898-V1924 HydrophobicContact CB-CG1 3.69Å; P1898-V1924 HydrophobicContact CB-CG2 3.88Å; N1922-V1924 VanDerWaalsContact C-N 3.33Å; V1924-Y1926 WeakPolarHBondContact CG1-O 3.22Å; V1924-F1927 HydrophobicContact CB-CE1 4.47Å; V1924-F1927 HydrophobicContact CB-CZ 4.2Å; V1924-F1927 HydrophobicContact CG1-CE1 4.03Å; V1924-F1927 HydrophobicContact CG1-CE2 4.32Å; V1924-F1927 HydrophobicContact CG1-CZ 3.94Å; V1924-P1957 WeakPolarHBondContact O-CA 3.42Å; V1924-M1958 PolarHBondContact N-O 2.87Å; V1924-M1958 VanDerWaalsContact N-O 3.12Å; V1924-M1958 PolarHBondContact O-N 3.18Å |
| 1925 | K | 90.6 | Very high | 82.1 | Confident | 61 Ų | 61 | 55.7 Ų | 55.7 | 27% | 0.265 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | -22.7 | 176.9 | -169 | 174.6 | -178.6 | 168.9 | 0 | 114 | I1954 A1955 | K1925-I1954 WeakPolarHBondContact CE-O 3.28Å; K1925-I1954 HydrophobicContact CG-CG1 4.3Å; K1925-I1954 WeakPolarHBondContact CG-O 3.36Å; K1925-I1954 WeakPolarHBondContact O-CG1 3.42Å; K1925-I1954 PolarHBondContact O-N 3.25Å; K1925-I1954 VanDerWaalsContact O-N 3.14Å; K1925-A1955 WeakPolarHBondContact CE-O 3.42Å; K1925-A1955 PolarHBondContact NZ-O 3.24Å |
| 1926 | Y | 92.7 | Very high | 81.1 | Confident | 44 Ų | 44 | 57 Ų | 57 | 17% | 0.173 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 139.3 | -176.6 | -43.5 | -58 | 0 | 0 | 0 | 111.5 | E1899 E1901 V1924 Y1952 C1953 | E1899-Y1926 PolarHBondContact N-O 3.13Å; E1901-Y1926 HydrophobicContact CG-CE2 4.39Å; E1901-Y1926 WeakPolarHBondContact OE1-CE2 3.47Å; V1924-Y1926 WeakPolarHBondContact CG1-O 3.22Å; Y1926-Y1952 WeakPolarHBondContact CA-O 3.49Å; Y1926-C1953 HydrophobicContact CD1-CB 3.67Å; Y1926-C1953 WeakPolarHBondContact CD1-SG 3.35Å; Y1926-C1953 HydrophobicContact CE1-CB 3.95Å |
| 1927 | F | 93.6 | Very high | 80.2 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 129.5 | -177.9 | -60.3 | -91.4 | 0 | 0 | 0 | 109.5 | Y1827 I1849 L1896 E1897 P1898 V1924 R1951 Y1952 I1954 | Y1827-F1927 HydrophobicContact CD1-CD1 4.35Å; Y1827-F1927 AromaticContact CD1-CE1 3.43Å; Y1827-F1927 HydrophobicContact CD1-CE1 3.43Å; Y1827-F1927 VanDerWaalsContact CD1-CE1 3.43Å; Y1827-F1927 AromaticContact CD1-CZ 3.89Å; Y1827-F1927 HydrophobicContact CD1-CZ 3.89Å; Y1827-F1927 HydrophobicContact CD2-CD1 4.39Å; Y1827-F1927 AromaticContact CD2-CE1 3.79Å; Y1827-F1927 HydrophobicContact CD2-CE1 3.79Å; Y1827-F1927 AromaticContact CE1-CE1 3.78Å; Y1827-F1927 HydrophobicContact CE1-CE1 3.78Å; Y1827-F1927 AromaticContact CE1-CZ 3.98Å; Y1827-F1927 HydrophobicContact CE1-CZ 3.98Å; Y1827-F1927 HydrophobicContact CE2-CE1 4.12Å; Y1827-F1927 HydrophobicContact CG-CD1 4.02Å; Y1827-F1927 AromaticContact CG-CE1 3.44Å; Y1827-F1927 HydrophobicContact CG-CE1 3.44Å; Y1827-F1927 VanDerWaalsContact CG-CE1 3.44Å; Y1827-F1927 HydrophobicContact CG-CZ 4.35Å; I1849-F1927 HydrophobicContact CD1-CB 4.01Å; I1849-F1927 HydrophobicContact CD1-CD2 3.21Å; I1849-F1927 HydrophobicContact CD1-CE2 3.78Å; I1849-F1927 HydrophobicContact CD1-CG 3.7Å; I1849-F1927 HydrophobicContact CG2-CD2 4.44Å; I1849-F1927 HydrophobicContact CG2-CE1 4.4Å; I1849-F1927 HydrophobicContact CG2-CE2 4.29Å; I1849-F1927 HydrophobicContact CG2-CZ 4.26Å; L1896-F1927 HydrophobicContact CB-CB 4.09Å; L1896-F1927 HydrophobicContact CB-CD1 4.37Å; L1896-F1927 HydrophobicContact CD1-CB 3.87Å; L1896-F1927 HydrophobicContact CD1-CG 4.36Å; E1897-F1927 CarbonylContact O-C 3.56Å; E1897-F1927 WeakPolarHBondContact O-CA 3.1Å; P1898-F1927 HydrophobicContact CB-CD1 4.36Å; P1898-F1927 HydrophobicContact CB-CE1 4.3Å; V1924-F1927 HydrophobicContact CB-CE1 4.47Å; V1924-F1927 HydrophobicContact CB-CZ 4.2Å; V1924-F1927 HydrophobicContact CG1-CE1 4.03Å; V1924-F1927 HydrophobicContact CG1-CE2 4.32Å; V1924-F1927 HydrophobicContact CG1-CZ 3.94Å; F1927-R1951 CarbonylContact O-C 3.58Å; F1927-R1951 WeakPolarHBondContact O-CA 3.4Å; F1927-Y1952 PolarHBondContact N-O 2.9Å; F1927-Y1952 PolarHBondContact O-N 3.27Å; F1927-I1954 HydrophobicContact CE2-CD1 3.71Å; F1927-I1954 HydrophobicContact CE2-CG1 4.1Å; F1927-I1954 HydrophobicContact CZ-CD1 4.36Å |
| 1928 | L | 89.7 | Confident | 79.1 | Confident | 12 Ų | 12 | 62.6 Ų | 62.6 | 6% | 0.063 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 142.4 | -177.5 | -61.3 | 170.7 | 0 | 0 | 0 | 110.5 | E1897 E1899 E1949 T1950 R1951 | E1897-L1928 HydrophobicContact CB-CB 4.33Å; E1897-L1928 PolarHBondContact N-O 3.18Å; E1897-L1928 PolarHBondContact O-N 3.48Å; E1899-L1928 HydrophobicContact CB-CD1 4.44Å; L1928-E1949 HydrophobicContact CD2-CG 4.21Å; L1928-T1950 CarbonylContact C-O 3.54Å; L1928-T1950 WeakPolarHBondContact CA-O 3.46Å; L1928-R1951 HydrophobicContact CD2-CB 3.74Å; L1928-R1951 HydrophobicContact CD2-CG 3.93Å |
| 1929 | R | 86.3 | Confident | 78.2 | Confident | 49 Ų | 49 | 72.6 Ų | 72.6 | 19% | 0.185 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 128.3 | 170.2 | -178.5 | -179.1 | 172.8 | -169.4 | -0.9 | 109.3 | L1896 T1950 Y1952 | L1896-R1929 HydrophobicContact CD2-CB 3.89Å; L1896-R1929 HydrophobicContact CD2-CG 4.34Å; R1929-T1950 PolarHBondContact N-O 3.43Å; R1929-T1950 PolarHBondContact O-N 3.43Å; R1929-Y1952 HydrophobicContact CB-CE2 3.81Å |
| 1930 | H | 82.5 | Confident | 76.9 | Confident | 42 Ų | 42 | 77.6 Ų | 77.6 | 19% | 0.194 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 128.5 | 174.5 | -53 | 90.6 | 0 | 0 | 0 | 110.5 | E1897 T1947 E1948 E1949 W1980 K1983 | E1897-H1930 IonicContact OE2-CE1 3.19Å; E1897-H1930 PolarHBondContact OE2-CE1 3.24Å; E1897-H1930 IonicContact OE2-ND1 2.72Å; H1930-T1947 HydrophobicContact CB-CG2 4.15Å; H1930-E1948 CarbonylContact C-O 3.51Å; H1930-E1948 WeakPolarHBondContact CA-O 3.46Å; H1930-E1949 IonicContact CD2-OE2 3.48Å; H1930-E1949 IonicContact CE1-OE2 3.33Å; H1930-E1949 WeakPolarHBondContact NE2-CG 3.35Å; H1930-E1949 IonicContact NE2-OE2 2.87Å; H1930-E1949 PolarHBondContact NE2-OE2 2.61Å; H1930-W1980 HydrophobicContact CB-CH2 3.76Å; H1930-W1980 HydrophobicContact CB-CZ3 3.56Å; H1930-W1980 AromaticContact CD2-CZ3 3.92Å; H1930-W1980 AromaticContact CG-CZ3 3.63Å; H1930-K1983 PolarHBondContact CE1-NZ 2.99Å; H1930-K1983 PolarHBondContact NE2-NZ 2.72Å; H1930-K1983 VanDerWaalsContact NE2-NZ 3.14Å |
| 1931 | R | 79 | Confident | 75.7 | Confident | 92 Ų | 92 | 78 Ų | 78 | 35% | 0.347 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 108.7 | 176.3 | -175.2 | -177.7 | -177.3 | 170.2 | 1.5 | 109.6 | L1933 E1948 | R1931-L1933 PolarHBondContact O-N 3.32Å; R1931-E1948 HydrophobicContact CB-CB 4.47Å; R1931-E1948 PolarHBondContact N-O 2.89Å; R1931-E1948 PolarHBondContact O-N 3Å |
| 1932 | P | 72.1 | Confident | 74.5 | Confident | 87 Ų | 87 | 76.9 Ų | 76.9 | 57% | 0.565 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 125 | 170.3 | 24.6 | -29.7 | 0 | 0 | 0 | 109.5 | ||
| 1933 | L | 69.6 | Low | 72.9 | Confident | 62 Ų | 62 | 81 Ų | 81 | 33% | 0.325 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -83 | 160.6 | 177.8 | -59.9 | -178.7 | 0 | 0 | 0 | 110.9 | R1931 N1946 E1948 M1974 | R1931-L1933 PolarHBondContact O-N 3.32Å; L1933-N1946 WeakPolarHBondContact CB-O 3.31Å; L1933-N1946 PolarHBondContact N-O 3.27Å; L1933-E1948 HydrophobicContact CD1-CB 4.48Å; L1933-E1948 HydrophobicContact CD2-CB 4.3Å; L1933-E1948 HydrophobicContact CG-CB 4.31Å; L1933-M1974 HydrophobicContact CD1-CE 3.48Å; L1933-M1974 VanDerWaalsContact CD1-CE 3.48Å; L1933-M1974 HydrophobicContact CD1-SD 4.1Å; L1933-M1974 HydrophobicContact CG-CE 4.36Å |
| 1934 | Q | 66.6 | Low | 71.7 | Confident | 172 Ų | 172 | 78 Ų | 78 | 80% | 0.804 | 39% | 0.39 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 141.9 | 174.4 | -76.2 | -179.4 | 3.5 | 0 | 0 | 110.5 | T1936 | Q1934-T1936 PolarHBondContact O-N 3.36Š|
| 1935 | P | 61.6 | Low | 70.5 | Confident | 71 Ų | 71 | 80.7 Ų | 80.7 | 46% | 0.461 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 124 | 178.8 | -11.5 | 18.9 | 0 | 0 | 0 | 110.4 | L1943 T1945 | P1935-L1943 HydrophobicContact CB-CB 3.95Å; P1935-L1943 HydrophobicContact CB-CD2 4.11Å; P1935-T1945 HydrophobicContact CB-CG2 3.65Å; P1935-T1945 HydrophobicContact CG-CG2 3.48Å; P1935-T1945 VanDerWaalsContact CG-CG2 3.48Å |
| 1936 | T | 60.3 | Low | 69.5 | Low | 81 Ų | 81 | 80.5 Ų | 80.5 | 50% | 0.497 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 131.8 | 174.9 | 45.7 | 0 | 0 | 0 | 0 | 109.6 | Q1934 K1938 V1944 | Q1934-T1936 PolarHBondContact O-N 3.36Å; T1936-K1938 PolarHBondContact O-N 3Å; T1936-V1944 PolarHBondContact N-O 2.85Å; T1936-V1944 PolarHBondContact O-N 2.61Å; T1936-V1944 PolarHBondContact OG1-O 3.35Å |
| 1937 | E | 60 | Low | 68.9 | Low | 149 Ų | 149 | 78.6 Ų | 78.6 | 70% | 0.696 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 116.8 | 172.2 | -75.3 | -174 | 161.9 | 0 | 0 | 109.5 | L1943 | E1937-L1943 HydrophobicContact CB-CD2 4.46Å; E1937-L1943 HydrophobicContact CG-CD2 3.36Å; E1937-L1943 HydrophobicContact CG-CG 4.15Å |
| 1938 | K | 59.1 | Low | 68.3 | Low | 117 Ų | 117 | 80.5 Ų | 80.5 | 51% | 0.509 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 163.1 | 164.3 | -78.5 | -173.7 | 175.4 | 174.5 | 0 | 109.8 | T1936 D1940 G1941 R1942 V1944 | T1936-K1938 PolarHBondContact O-N 3Å; K1938-D1940 PolarHBondContact O-N 2.96Å; K1938-G1941 PolarHBondContact O-N 3.42Å; K1938-R1942 PolarHBondContact N-O 3.21Å; K1938-V1944 HydrophobicContact CD-CB 4.49Å; K1938-V1944 HydrophobicContact CD-CG2 3.65Å; K1938-V1944 HydrophobicContact CG-CB 4.42Å; K1938-V1944 HydrophobicContact CG-CG2 3.89Å |
| 1939 | K | 66 | Low | 68.3 | Low | 217 Ų | 217 | 81.3 Ų | 81.3 | 94% | 0.943 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | -24.7 | 177.6 | -69.4 | -175.9 | 177.9 | 179.5 | 0 | 113.9 | G1941 | K1939-G1941 VanDerWaalsContact C-N 3.3Å; K1939-G1941 PolarHBondContact O-N 2.94Å |
| 1940 | D | 57.9 | Low | 68.4 | Low | 145 Ų | 145 | 79.4 Ų | 79.4 | 78% | 0.775 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | 8 | -178.9 | -44.9 | -37.5 | 0 | 0 | 0 | 113.4 | K1938 R1942 | K1938-D1940 PolarHBondContact O-N 2.96Å; D1940-R1942 VanDerWaalsContact C-N 3.26Å; D1940-R1942 PolarHBondContact O-N 2.83Å |
| 1941 | G | 56.9 | Low | 68.8 | Low | 52 Ų | 52 | 80.9 Ų | 80.9 | 54% | 0.536 | 41% | 0.411 | S | S | . | . | S | Bend | trans | 78.9 | 2.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | K1938 K1939 | K1938-G1941 PolarHBondContact O-N 3.42Å; K1939-G1941 VanDerWaalsContact C-N 3.3Å; K1939-G1941 PolarHBondContact O-N 2.94Å |
| 1942 | R | 55.4 | Low | 69.4 | Low | 82 Ų | 82 | 76.8 Ų | 76.8 | 31% | 0.309 | 40% | 0.396 | S | S | . | . | trans | -85.1 | 126.2 | 179.2 | -171.6 | -179.5 | -178.3 | 158 | 6 | 111.6 | K1938 D1940 V1944 D2031 E2033 | K1938-R1942 PolarHBondContact N-O 3.21Å; D1940-R1942 VanDerWaalsContact C-N 3.26Å; D1940-R1942 PolarHBondContact O-N 2.83Å; R1942-V1944 HydrophobicContact CG-CG2 4.32Å; R1942-V1944 PolarHBondContact O-N 2.94Å; R1942-D2031 PolarHBondContact NH2-O 2.84Å; R1942-D2031 VanDerWaalsContact NH2-O 3.11Å; R1942-E2033 IonicContact CZ-OE1 2.73Å; R1942-E2033 IonicContact CZ-OE2 3.36Å; R1942-E2033 IonicContact NH1-OE1 3.48Å; R1942-E2033 PolarHBondContact NH1-OE1 3.14Å; R1942-E2033 IonicContact NH1-OE2 3.58Å; R1942-E2033 PolarHBondContact NH1-OE2 3.39Å; R1942-E2033 IonicContact NH2-OE1 3.47Å; R1942-E2033 PolarHBondContact NH2-OE1 2.79Å; R1942-E2033 IonicContact NH2-OE2 3.79Å | ||
| 1943 | L | 54 | Low | 70.3 | Confident | 101 Ų | 101 | 72.7 Ų | 72.7 | 53% | 0.529 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 119.8 | 172.2 | -67.5 | 165.4 | 0 | 0 | 0 | 110.1 | P1935 E1937 | P1935-L1943 HydrophobicContact CB-CB 3.95Å; P1935-L1943 HydrophobicContact CB-CD2 4.11Å; E1937-L1943 HydrophobicContact CB-CD2 4.46Å; E1937-L1943 HydrophobicContact CG-CD2 3.36Å; E1937-L1943 HydrophobicContact CG-CG 4.15Å |
| 1944 | V | 61.9 | Low | 71.3 | Confident | 3 Ų | 3 | 69.8 Ų | 69.8 | 2% | 0.018 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 120.2 | 178.7 | 177.6 | 0 | 0 | 0 | 0 | 109.4 | T1936 K1938 R1942 Q1977 | T1936-V1944 PolarHBondContact N-O 2.85Å; T1936-V1944 PolarHBondContact O-N 2.61Å; T1936-V1944 PolarHBondContact OG1-O 3.35Å; K1938-V1944 HydrophobicContact CD-CB 4.49Å; K1938-V1944 HydrophobicContact CD-CG2 3.65Å; K1938-V1944 HydrophobicContact CG-CB 4.42Å; K1938-V1944 HydrophobicContact CG-CG2 3.89Å; R1942-V1944 HydrophobicContact CG-CG2 4.32Å; R1942-V1944 PolarHBondContact O-N 2.94Å; V1944-Q1977 HydrophobicContact CG1-CG 4.29Å |
| 1945 | T | 65.7 | Low | 72 | Confident | 55 Ų | 55 | 64.2 Ų | 64.2 | 34% | 0.337 | 34% | 0.338 | S | S | . | . | trans | -89.9 | 113.5 | 171.3 | 49.8 | 0 | 0 | 0 | 0 | 109.8 | P1935 Q1977 | P1935-T1945 HydrophobicContact CB-CG2 3.65Å; P1935-T1945 HydrophobicContact CG-CG2 3.48Å; P1935-T1945 VanDerWaalsContact CG-CG2 3.48Å; T1945-Q1977 WeakPolarHBondContact O-CG 3.43Å; T1945-Q1977 PolarHBondContact O-NE2 3.48Å | ||
| 1946 | N | 69.5 | Low | 73.1 | Confident | 58 Ų | 58 | 64.6 Ų | 64.6 | 31% | 0.31 | 33% | 0.333 | S | S | . | . | trans | -93.9 | 149.2 | 168.7 | -65.5 | -22.3 | 0 | 0 | 0 | 109.7 | L1933 M1974 | L1933-N1946 WeakPolarHBondContact CB-O 3.31Å; L1933-N1946 PolarHBondContact N-O 3.27Å; N1946-M1974 HydrophobicContact CB-CE 3.44Å; N1946-M1974 VanDerWaalsContact CB-CE 3.44Å | ||
| 1947 | T | 79.2 | Confident | 74.5 | Confident | 4 Ų | 4 | 63.4 Ų | 63.4 | 3% | 0.025 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 128.8 | 177.7 | -53.8 | 0 | 0 | 0 | 0 | 109.3 | H1930 L1975 W1980 | H1930-T1947 HydrophobicContact CB-CG2 4.15Å; T1947-L1975 PolarHBondContact O-N 3.45Å; T1947-W1980 HydrophobicContact CG2-CD2 3.94Å; T1947-W1980 HydrophobicContact CG2-CE3 3.76Å; T1947-W1980 HydrophobicContact CG2-CH2 4.26Å; T1947-W1980 HydrophobicContact CG2-CZ2 4.46Å; T1947-W1980 HydrophobicContact CG2-CZ3 3.94Å |
| 1948 | E | 82.3 | Confident | 75.9 | Confident | 40 Ų | 40 | 56.3 Ų | 56.3 | 19% | 0.187 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 125.6 | 172.7 | -172.6 | -174.6 | 151.9 | 0 | 0 | 109 | H1930 R1931 L1933 T1950 I1972 M1974 | H1930-E1948 CarbonylContact C-O 3.51Å; H1930-E1948 WeakPolarHBondContact CA-O 3.46Å; R1931-E1948 HydrophobicContact CB-CB 4.47Å; R1931-E1948 PolarHBondContact N-O 2.89Å; R1931-E1948 PolarHBondContact O-N 3Å; L1933-E1948 HydrophobicContact CD1-CB 4.48Å; L1933-E1948 HydrophobicContact CD2-CB 4.3Å; L1933-E1948 HydrophobicContact CG-CB 4.31Å; E1948-T1950 PolarHBondContact OE1-OG1 2.68Å; E1948-I1972 HydrophobicContact CG-CG2 3.54Å; E1948-I1972 WeakPolarHBondContact OE1-CG2 3.28Å; E1948-M1974 HydrophobicContact CB-CE 4.44Å; E1948-M1974 HydrophobicContact CB-SD 4.09Å; E1948-M1974 HydrophobicContact CG-SD 4.24Å |
| 1949 | E | 88.2 | Confident | 77.4 | Confident | 29 Ų | 29 | 50.8 Ų | 50.8 | 14% | 0.136 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 117.8 | 168.5 | -178 | 173.3 | 71 | 0 | 0 | 108.5 | L1928 H1930 R1973 L1975 K1983 | L1928-E1949 HydrophobicContact CD2-CG 4.21Å; H1930-E1949 IonicContact CD2-OE2 3.48Å; H1930-E1949 IonicContact CE1-OE2 3.33Å; H1930-E1949 WeakPolarHBondContact NE2-CG 3.35Å; H1930-E1949 IonicContact NE2-OE2 2.87Å; H1930-E1949 PolarHBondContact NE2-OE2 2.61Å; E1949-R1973 PolarHBondContact N-O 3.25Å; E1949-R1973 PolarHBondContact O-N 2.97Å; E1949-L1975 HydrophobicContact CB-CD1 3.91Å; E1949-L1975 HydrophobicContact CB-CG 3.94Å; E1949-K1983 IonicContact OE2-NZ 3.37Å; E1949-K1983 PolarHBondContact OE2-NZ 3.05Å |
| 1950 | T | 88.6 | Confident | 78.5 | Confident | 8 Ų | 8 | 41.8 Ų | 41.8 | 5% | 0.049 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 119.9 | 175.6 | -46.5 | 0 | 0 | 0 | 0 | 108.8 | L1928 R1929 E1948 Y1952 V1970 E1971 I1972 | L1928-T1950 CarbonylContact C-O 3.54Å; L1928-T1950 WeakPolarHBondContact CA-O 3.46Å; R1929-T1950 PolarHBondContact N-O 3.43Å; R1929-T1950 PolarHBondContact O-N 3.43Å; E1948-T1950 PolarHBondContact OE1-OG1 2.68Å; T1950-Y1952 HydrophobicContact CG2-CD2 4.31Å; T1950-Y1952 HydrophobicContact CG2-CE1 3.95Å; T1950-Y1952 HydrophobicContact CG2-CE2 3.71Å; T1950-V1970 HydrophobicContact CG2-CG1 3.45Å; T1950-V1970 VanDerWaalsContact CG2-CG1 3.45Å; T1950-E1971 CarbonylContact C-O 3.54Å; T1950-E1971 WeakPolarHBondContact CA-O 3.29Å; T1950-I1972 HydrophobicContact CG2-CG1 4.06Å |
| 1951 | R | 91.1 | Very high | 80 | Confident | 73 Ų | 73 | 35.3 Ų | 35.3 | 28% | 0.275 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 120.8 | 170.9 | -177.4 | -170.3 | -82.4 | 153.7 | -9.2 | 109.4 | E1899 F1927 L1928 V1970 E1971 | E1899-R1951 IonicContact OE1-CZ 3.81Å; E1899-R1951 IonicContact OE1-NE 2.82Å; E1899-R1951 IonicContact OE1-NH2 2.87Å; E1899-R1951 PolarHBondContact OE1-NH2 3Å; E1899-R1951 IonicContact OE2-CZ 3.55Å; E1899-R1951 IonicContact OE2-NE 3.39Å; E1899-R1951 PolarHBondContact OE2-NE 3.04Å; E1899-R1951 IonicContact OE2-NH2 2.81Å; E1899-R1951 PolarHBondContact OE2-NH2 2.87Å; E1899-R1951 VanDerWaalsContact OE2-NH2 3.1Å; F1927-R1951 CarbonylContact O-C 3.58Å; F1927-R1951 WeakPolarHBondContact O-CA 3.4Å; L1928-R1951 HydrophobicContact CD2-CB 3.74Å; L1928-R1951 HydrophobicContact CD2-CG 3.93Å; R1951-V1970 WeakPolarHBondContact O-CA 3.47Å; R1951-E1971 HydrophobicContact CB-CB 4.25Å; R1951-E1971 PolarHBondContact N-O 3.07Å; R1951-E1971 IonicContact NH1-OE2 2.99Å; R1951-E1971 PolarHBondContact NH1-OE2 2.82Å; R1951-E1971 PolarHBondContact O-N 3.2Å |
| 1952 | Y | 92 | Very high | 81.5 | Confident | 6 Ų | 6 | 33.2 Ų | 33.2 | 2% | 0.024 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 128.9 | 172.1 | -56.6 | -88.3 | 0 | 0 | 0 | 108.8 | L1829 K1847 L1896 Y1926 F1927 R1929 T1950 V1967 V1970 | L1829-Y1952 HydrophobicContact CD1-CD1 3.92Å; L1829-Y1952 HydrophobicContact CD1-CE1 3.83Å; L1829-Y1952 HydrophobicContact CD1-CG 4.41Å; L1829-Y1952 HydrophobicContact CD2-CD1 4.49Å; L1829-Y1952 HydrophobicContact CD2-CE1 3.62Å; L1829-Y1952 HydrophobicContact CD2-CE2 4.09Å; L1829-Y1952 WeakPolarHBondContact CD2-OH 3.4Å; L1829-Y1952 HydrophobicContact CG-CE1 4.39Å; K1847-Y1952 HydrophobicContact CD-CE1 4.23Å; L1896-Y1952 HydrophobicContact CD2-CD2 4.44Å; L1896-Y1952 HydrophobicContact CD2-CE2 4.26Å; Y1926-Y1952 WeakPolarHBondContact CA-O 3.49Å; F1927-Y1952 PolarHBondContact N-O 2.9Å; F1927-Y1952 PolarHBondContact O-N 3.27Å; R1929-Y1952 HydrophobicContact CB-CE2 3.81Å; T1950-Y1952 HydrophobicContact CG2-CD2 4.31Å; T1950-Y1952 HydrophobicContact CG2-CE1 3.95Å; T1950-Y1952 HydrophobicContact CG2-CE2 3.71Å; Y1952-V1967 HydrophobicContact CD1-CG1 4.13Å; Y1952-V1967 HydrophobicContact CD1-CG2 4.21Å; Y1952-V1970 HydrophobicContact CD1-CG1 4.28Å; Y1952-V1970 HydrophobicContact CD1-CG2 3.88Å; Y1952-V1970 HydrophobicContact CE1-CG1 4.21Å; Y1952-V1970 HydrophobicContact CE1-CG2 4.24Å |
| 1953 | C | 91.5 | Very high | 83.1 | Confident | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.007 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 131.3 | 176.3 | -43.1 | 0 | 0 | 0 | 0 | 110.1 | Y1926 D1968 R1969 | Y1926-C1953 HydrophobicContact CD1-CB 3.67Å; Y1926-C1953 WeakPolarHBondContact CD1-SG 3.35Å; Y1926-C1953 HydrophobicContact CE1-CB 3.95Å; C1953-D1968 PolarHBondContact O-N 2.98Å; C1953-R1969 HydrophobicContact CB-CG 3.42Å; C1953-R1969 VanDerWaalsContact CB-CG 3.42Å; C1953-R1969 PolarHBondContact N-O 2.64Å; C1953-R1969 PolarHBondContact O-N 2.81Å; C1953-R1969 PolarHBondContact SG-NE 2.83Å |
| 1954 | I | 89.9 | Confident | 84.6 | Confident | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 160.1 | 174.9 | 57.6 | 173.3 | 0 | 0 | 0 | 110.1 | I1849 K1925 F1927 E1956 M1958 M1965 | I1849-I1954 HydrophobicContact CD1-CG2 3.73Å; I1849-I1954 HydrophobicContact CG1-CG2 4.23Å; K1925-I1954 WeakPolarHBondContact CE-O 3.28Å; K1925-I1954 HydrophobicContact CG-CG1 4.3Å; K1925-I1954 WeakPolarHBondContact CG-O 3.36Å; K1925-I1954 WeakPolarHBondContact O-CG1 3.42Å; K1925-I1954 PolarHBondContact O-N 3.25Å; K1925-I1954 VanDerWaalsContact O-N 3.14Å; F1927-I1954 HydrophobicContact CE2-CD1 3.71Å; F1927-I1954 HydrophobicContact CE2-CG1 4.1Å; F1927-I1954 HydrophobicContact CZ-CD1 4.36Å; I1954-E1956 WeakPolarHBondContact CD1-O 3.19Å; I1954-E1956 WeakPolarHBondContact CG1-O 3.45Å; I1954-M1958 HydrophobicContact CD1-CB 4.39Å; I1954-M1958 HydrophobicContact CD1-CG 3.59Å; I1954-M1958 HydrophobicContact CD1-SD 3.85Å; I1954-M1965 HydrophobicContact CB-CB 4.3Å; I1954-M1965 HydrophobicContact CB-CG 3.86Å; I1954-M1965 HydrophobicContact CD1-CB 4.06Å; I1954-M1965 HydrophobicContact CD1-CG 4.05Å; I1954-M1965 HydrophobicContact CG1-CG 4.46Å; I1954-M1965 HydrophobicContact CG2-CB 4.16Å; I1954-M1965 HydrophobicContact CG2-CG 4.22Å |
| 1955 | A | 80.5 | Confident | 85.8 | Confident | 56 Ų | 56 | 25.2 Ų | 25.2 | 46% | 0.463 | 14% | 0.137 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | -46.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K1925 | K1925-A1955 WeakPolarHBondContact CE-O 3.42Å; K1925-A1955 PolarHBondContact NZ-O 3.24Å |
| 1956 | E | 84.8 | Confident | 86.6 | Confident | 79 Ų | 79 | 24.2 Ų | 24.2 | 37% | 0.369 | 13% | 0.132 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 138.9 | -176.6 | -66.7 | 171.2 | -154.1 | 0 | 0 | 110 | I1954 N1960 M1965 | I1954-E1956 WeakPolarHBondContact CD1-O 3.19Å; I1954-E1956 WeakPolarHBondContact CG1-O 3.45Å; E1956-N1960 PolarHBondContact OE2-ND2 3.12Å; E1956-M1965 HydrophobicContact CB-CE 4.32Å |
| 1957 | P | 89.5 | Confident | 87.4 | Confident | 55 Ų | 55 | 22 Ų | 22 | 36% | 0.357 | 12% | 0.12 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 148.4 | -177.8 | 29.2 | -34.9 | 0 | 0 | 0 | 111.7 | V1924 | V1924-P1957 WeakPolarHBondContact O-CA 3.42Å |
| 1958 | M | 89.7 | Confident | 87.6 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 146.4 | 175.9 | -69.3 | 179.1 | 83.5 | 0 | 0 | 112 | Y1827 I1849 R1851 R1923 V1924 I1954 P1963 M1965 | Y1827-M1958 HydrophobicContact CE1-CB 4.39Å; Y1827-M1958 HydrophobicContact CE1-SD 4.48Å; I1849-M1958 HydrophobicContact CG2-SD 4.4Å; R1851-M1958 HydrophobicContact CB-CE 3.43Å; R1851-M1958 VanDerWaalsContact CB-CE 3.43Å; R1851-M1958 HydrophobicContact CG-CE 4.47Å; R1923-M1958 VanDerWaalsContact CA-O 3.28Å; R1923-M1958 WeakPolarHBondContact CA-O 3.39Å; R1923-M1958 PolarHBondContact N-O 3.04Å; V1924-M1958 PolarHBondContact N-O 2.87Å; V1924-M1958 VanDerWaalsContact N-O 3.12Å; V1924-M1958 PolarHBondContact O-N 3.18Å; I1954-M1958 HydrophobicContact CD1-CB 4.39Å; I1954-M1958 HydrophobicContact CD1-CG 3.59Å; I1954-M1958 HydrophobicContact CD1-SD 3.85Å; M1958-P1963 VanDerWaalsContact CE-C 3.44Å; M1958-P1963 WeakPolarHBondContact CE-O 3.47Å; M1958-M1965 HydrophobicContact CG-CB 4.26Å; M1958-M1965 HydrophobicContact SD-CB 3.81Å |
| 1959 | P | 90.6 | Very high | 87.7 | Confident | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.013 | 16% | 0.159 | C | C | . | . | S | Bend | cis | -69.7 | 161 | -0.2 | 28.2 | -33.7 | 0 | 0 | 0 | 114.3 | T1719 Y1723 | T1719-P1959 HydrophobicContact CG2-CB 3.85Å; T1719-P1959 HydrophobicContact CG2-CG 3.97Å; Y1723-P1959 HydrophobicContact CE2-CB 3.94Å; Y1723-P1959 HydrophobicContact CE2-CG 3.81Å |
| 1960 | N | 89.3 | Confident | 87.7 | Confident | 27 Ų | 27 | 31.8 Ų | 31.8 | 14% | 0.144 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -153.2 | -166.1 | 179.9 | -164.2 | -10 | 0 | 0 | 0 | 108.7 | E1720 E1956 I1962 M1965 | E1720-N1960 WeakPolarHBondContact CG-O 3.31Å; E1956-N1960 PolarHBondContact OE2-ND2 3.12Å; N1960-I1962 PolarHBondContact O-N 3.26Å; N1960-I1962 VanDerWaalsContact O-N 3.12Å; N1960-M1965 HydrophobicContact CB-CE 4.03Å |
| 1961 | I | 89.4 | Confident | 87.6 | Confident | 9 Ų | 9 | 35 Ų | 35 | 5% | 0.046 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -61.7 | -18.4 | -178.4 | 63.1 | 159.5 | 0 | 0 | 0 | 114.8 | L1708 H1712 T1724 L1727 | L1708-I1961 HydrophobicContact CD2-CD1 4.14Å; H1712-I1961 PolarHBondContact CE1-O 3.02Å; H1712-I1961 PolarHBondContact NE2-O 3.36Å; T1724-I1961 PolarHBondContact OG1-O 3.4Å; L1727-I1961 HydrophobicContact CB-CG2 4.4Å; L1727-I1961 HydrophobicContact CD2-CD1 4.34Å; L1727-I1961 HydrophobicContact CD2-CG2 3.92Å |
| 1962 | I | 88.5 | Confident | 87.4 | Confident | 9 Ų | 9 | 36.6 Ų | 36.6 | 5% | 0.046 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -132.9 | 148.9 | 175.9 | 52.1 | 166.6 | 0 | 0 | 0 | 111 | M1682 L1683 C1686 L1708 N1960 I1964 M1965 | M1682-I1962 HydrophobicContact CB-CG2 4.4Å; L1683-I1962 HydrophobicContact CD2-CD1 4.31Å; C1686-I1962 HydrophobicContact CB-CD1 4.36Å; C1686-I1962 WeakPolarHBondContact SG-CG2 3.38Å; L1708-I1962 HydrophobicContact CD1-CG2 4.14Å; L1708-I1962 HydrophobicContact CD2-CG2 4.15Å; N1960-I1962 PolarHBondContact O-N 3.26Å; N1960-I1962 VanDerWaalsContact O-N 3.12Å; I1962-I1964 WeakPolarHBondContact CD1-O 3.26Å; I1962-I1964 VanDerWaalsContact CG1-O 3.26Å; I1962-I1964 WeakPolarHBondContact CG1-O 3.2Å; I1962-I1964 PolarHBondContact O-N 2.73Å; I1962-M1965 HydrophobicContact CG1-CE 4.43Å |
| 1963 | P | 88.4 | Confident | 87 | Confident | 4 Ų | 4 | 43 Ų | 43 | 3% | 0.026 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -78.4 | 3.4 | -177.8 | 32.4 | -35 | 0 | 0 | 0 | 112.8 | M1682 E1720 Y1850 R1851 M1958 | M1682-P1963 HydrophobicContact SD-CG 4.3Å; E1720-P1963 HydrophobicContact CG-CB 4.12Å; Y1850-P1963 HydrophobicContact CD2-CB 4.41Å; Y1850-P1963 WeakPolarHBondContact CD2-O 3.42Å; Y1850-P1963 HydrophobicContact CE2-CB 4.07Å; Y1850-P1963 HydrophobicContact CE2-CG 4.19Å; R1851-P1963 PolarHBondContact N-O 3.29Å; M1958-P1963 VanDerWaalsContact CE-C 3.44Å; M1958-P1963 WeakPolarHBondContact CE-O 3.47Å |
| 1964 | I | 86.9 | Confident | 86.6 | Confident | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 134.3 | -175.4 | -58.2 | 150.6 | 0 | 0 | 0 | 108.6 | M1679 L1848 I1849 Y1850 I1962 | M1679-I1964 HydrophobicContact CB-CD1 3.9Å; M1679-I1964 HydrophobicContact CG-CD1 3.35Å; M1679-I1964 HydrophobicContact SD-CD1 3.31Å; M1679-I1964 WeakPolarHBondContact SD-CD1 3.42Å; M1679-I1964 HydrophobicContact SD-CG1 4.14Å; L1848-I1964 HydrophobicContact CB-CG2 3.86Å; L1848-I1964 HydrophobicContact CD1-CG2 4.07Å; L1848-I1964 HydrophobicContact CG-CG2 4.4Å; I1849-I1964 CarbonylContact O-C 3.49Å; I1849-I1964 VanDerWaalsContact O-CA 3.27Å; I1849-I1964 WeakPolarHBondContact O-CA 3.13Å; Y1850-I1964 HydrophobicContact CD2-CD1 4.13Å; Y1850-I1964 HydrophobicContact CD2-CG1 3.34Å; Y1850-I1964 HydrophobicContact CE2-CD1 4.39Å; Y1850-I1964 HydrophobicContact CE2-CG1 3.98Å; Y1850-I1964 HydrophobicContact CG-CG1 4.2Å; I1962-I1964 WeakPolarHBondContact CD1-O 3.26Å; I1962-I1964 VanDerWaalsContact CG1-O 3.26Å; I1962-I1964 WeakPolarHBondContact CG1-O 3.2Å; I1962-I1964 PolarHBondContact O-N 2.73Å |
| 1965 | M | 85.9 | Confident | 86.1 | Confident | 9 Ų | 9 | 47.5 Ų | 47.5 | 4% | 0.044 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 134.8 | 177.5 | -159.3 | 62.8 | 65.9 | 0 | 0 | 110.9 | I1849 I1954 E1956 M1958 N1960 I1962 | I1849-M1965 PolarHBondContact N-O 3.14Å; I1849-M1965 PolarHBondContact O-N 2.7Å; I1954-M1965 HydrophobicContact CB-CB 4.3Å; I1954-M1965 HydrophobicContact CB-CG 3.86Å; I1954-M1965 HydrophobicContact CD1-CB 4.06Å; I1954-M1965 HydrophobicContact CD1-CG 4.05Å; I1954-M1965 HydrophobicContact CG1-CG 4.46Å; I1954-M1965 HydrophobicContact CG2-CB 4.16Å; I1954-M1965 HydrophobicContact CG2-CG 4.22Å; E1956-M1965 HydrophobicContact CB-CE 4.32Å; M1958-M1965 HydrophobicContact CG-CB 4.26Å; M1958-M1965 HydrophobicContact SD-CB 3.81Å; N1960-M1965 HydrophobicContact CB-CE 4.03Å; I1962-M1965 HydrophobicContact CG1-CE 4.43Å |
| 1966 | P | 83.7 | Confident | 85.9 | Confident | 35 Ų | 35 | 46 Ų | 46 | 23% | 0.227 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 142 | 177.8 | 30.2 | -35.5 | 0 | 0 | 0 | 111.4 | N1845 L1848 | N1845-P1966 HydrophobicContact CB-CB 3.7Å; L1848-P1966 HydrophobicContact CD2-CB 3.86Å |
| 1967 | V | 85.9 | Confident | 85.5 | Confident | 10 Ų | 10 | 44 Ų | 44 | 6% | 0.061 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 124.9 | 174.2 | -179 | 0 | 0 | 0 | 0 | 109.2 | L1829 N1845 K1847 I1849 Y1952 R1969 V1970 | L1829-V1967 HydrophobicContact CD1-CG2 4.25Å; N1845-V1967 PolarHBondContact ND2-O 3.48Å; K1847-V1967 HydrophobicContact CB-CB 4.08Å; K1847-V1967 HydrophobicContact CB-CG2 4.02Å; K1847-V1967 WeakPolarHBondContact O-CG2 3.27Å; K1847-V1967 PolarHBondContact O-N 2.88Å; I1849-V1967 HydrophobicContact CD1-CG2 4.05Å; I1849-V1967 HydrophobicContact CG1-CG2 3.75Å; Y1952-V1967 HydrophobicContact CD1-CG1 4.13Å; Y1952-V1967 HydrophobicContact CD1-CG2 4.21Å; V1967-R1969 WeakPolarHBondContact CG1-O 3.26Å; V1967-V1970 HydrophobicContact CG1-CG2 3.69Å |
| 1968 | D | 83.3 | Confident | 85 | Confident | 117 Ų | 117 | 41.8 Ų | 41.8 | 63% | 0.626 | 21% | 0.205 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -88.4 | -46.7 | 179.8 | 179.4 | 36.8 | 0 | 0 | 0 | 111.4 | C1953 | C1953-D1968 PolarHBondContact O-N 2.98Å |
| 1969 | R | 83.7 | Confident | 84.6 | Confident | 108 Ų | 108 | 44.2 Ų | 44.2 | 41% | 0.408 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 148.3 | 177.9 | 63.5 | 175 | -171.6 | -138.9 | 2.2 | 112 | C1953 V1967 E1971 | C1953-R1969 HydrophobicContact CB-CG 3.42Å; C1953-R1969 VanDerWaalsContact CB-CG 3.42Å; C1953-R1969 PolarHBondContact N-O 2.64Å; C1953-R1969 PolarHBondContact O-N 2.81Å; C1953-R1969 PolarHBondContact SG-NE 2.83Å; V1967-R1969 WeakPolarHBondContact CG1-O 3.26Å; R1969-E1971 IonicContact CZ-OE1 2.62Å; R1969-E1971 IonicContact NE-OE1 2.7Å; R1969-E1971 PolarHBondContact NE-OE1 3.07Å |
| 1970 | V | 87.5 | Confident | 84.2 | Confident | 54 Ų | 54 | 46.7 Ų | 46.7 | 33% | 0.327 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 120 | 175.7 | -176.4 | 0 | 0 | 0 | 0 | 108.8 | K1847 T1950 R1951 Y1952 V1967 I1972 | K1847-V1970 HydrophobicContact CD-CG2 4.19Å; T1950-V1970 HydrophobicContact CG2-CG1 3.45Å; T1950-V1970 VanDerWaalsContact CG2-CG1 3.45Å; R1951-V1970 WeakPolarHBondContact O-CA 3.47Å; Y1952-V1970 HydrophobicContact CD1-CG1 4.28Å; Y1952-V1970 HydrophobicContact CD1-CG2 3.88Å; Y1952-V1970 HydrophobicContact CE1-CG1 4.21Å; Y1952-V1970 HydrophobicContact CE1-CG2 4.24Å; V1967-V1970 HydrophobicContact CG1-CG2 3.69Å; V1970-I1972 HydrophobicContact CG1-CG1 4.23Å |
| 1971 | E | 88.2 | Confident | 83.9 | Confident | 76 Ų | 76 | 45.5 Ų | 45.5 | 36% | 0.355 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 128.9 | 176.3 | -62.6 | 167.2 | -167.6 | 0 | 0 | 108.5 | T1950 R1951 R1969 | T1950-E1971 CarbonylContact C-O 3.54Å; T1950-E1971 WeakPolarHBondContact CA-O 3.29Å; R1951-E1971 HydrophobicContact CB-CB 4.25Å; R1951-E1971 PolarHBondContact N-O 3.07Å; R1951-E1971 IonicContact NH1-OE2 2.99Å; R1951-E1971 PolarHBondContact NH1-OE2 2.82Å; R1951-E1971 PolarHBondContact O-N 3.2Å; R1969-E1971 IonicContact CZ-OE1 2.62Å; R1969-E1971 IonicContact NE-OE1 2.7Å; R1969-E1971 PolarHBondContact NE-OE1 3.07Å |
| 1972 | I | 85.4 | Confident | 83.6 | Confident | 107 Ų | 107 | 45.7 Ų | 45.7 | 55% | 0.549 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 128.5 | 179.2 | -59.7 | 171 | 0 | 0 | 0 | 108.6 | E1948 T1950 V1970 | E1948-I1972 HydrophobicContact CG-CG2 3.54Å; E1948-I1972 WeakPolarHBondContact OE1-CG2 3.28Å; T1950-I1972 HydrophobicContact CG2-CG1 4.06Å; V1970-I1972 HydrophobicContact CG1-CG1 4.23Å |
| 1973 | R | 85 | Confident | 83.3 | Confident | 139 Ų | 139 | 48.4 Ų | 48.4 | 53% | 0.525 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 141 | 175.7 | 178.9 | 179.9 | 170.7 | -173.4 | -5.3 | 110.3 | E1949 E1979 | E1949-R1973 PolarHBondContact N-O 3.25Å; E1949-R1973 PolarHBondContact O-N 2.97Å; R1973-E1979 IonicContact CZ-OE1 3.12Å; R1973-E1979 IonicContact NH2-OE1 3.8Å; R1973-E1979 PolarHBondContact NH2-OE1 3.35Å |
| 1974 | M | 81.8 | Confident | 83.1 | Confident | 86 Ų | 86 | 51.6 Ų | 51.6 | 42% | 0.424 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 123.2 | 169.3 | -64.4 | -52.5 | -55.3 | 0 | 0 | 110 | L1933 N1946 E1948 | L1933-M1974 HydrophobicContact CD1-CE 3.48Å; L1933-M1974 VanDerWaalsContact CD1-CE 3.48Å; L1933-M1974 HydrophobicContact CD1-SD 4.1Å; L1933-M1974 HydrophobicContact CG-CE 4.36Å; N1946-M1974 HydrophobicContact CB-CE 3.44Å; N1946-M1974 VanDerWaalsContact CB-CE 3.44Å; E1948-M1974 HydrophobicContact CB-CE 4.44Å; E1948-M1974 HydrophobicContact CB-SD 4.09Å; E1948-M1974 HydrophobicContact CG-SD 4.24Å |
| 1975 | L | 80.5 | Confident | 82.9 | Confident | 11 Ų | 11 | 51.4 Ų | 51.4 | 6% | 0.058 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 134.8 | 169.9 | -64.9 | 174.6 | 0 | 0 | 0 | 109.6 | T1947 E1949 E1979 W1980 | T1947-L1975 PolarHBondContact O-N 3.45Å; E1949-L1975 HydrophobicContact CB-CD1 3.91Å; E1949-L1975 HydrophobicContact CB-CG 3.94Å; L1975-E1979 HydrophobicContact CD2-CB 4.38Å; L1975-W1980 HydrophobicContact CD1-CE3 4.13Å |
| 1976 | S | 75.9 | Confident | 82.9 | Confident | 25 Ų | 25 | 55 Ų | 55 | 18% | 0.175 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 157.8 | 168.9 | 63.3 | 0 | 0 | 0 | 0 | 110.9 | T1978 E1979 W1980 | S1976-T1978 PolarHBondContact O-N 2.89Å; S1976-E1979 WeakPolarHBondContact CB-OE2 3.43Å; S1976-E1979 PolarHBondContact N-OE2 2.94Å; S1976-E1979 PolarHBondContact O-N 2.92Å; S1976-E1979 WeakPolarHBondContact OG-CB 3.44Å; S1976-E1979 VanDerWaalsContact OG-CD 3.28Å; S1976-E1979 WeakPolarHBondContact OG-CG 3.3Å; S1976-E1979 PolarHBondContact OG-N 3.05Å; S1976-E1979 PolarHBondContact OG-OE2 3.09Å; S1976-W1980 WeakPolarHBondContact O-CB 2.88Å; S1976-W1980 PolarHBondContact O-N 3.3Å |
| 1977 | Q | 76.7 | Confident | 82.8 | Confident | 36 Ų | 36 | 55.1 Ų | 55.1 | 17% | 0.168 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57 | -37.1 | 176.1 | -74.2 | -177.6 | -37.4 | 0 | 0 | 112.1 | V1944 T1945 A1981 D2031 | V1944-Q1977 HydrophobicContact CG1-CG 4.29Å; T1945-Q1977 WeakPolarHBondContact O-CG 3.43Å; T1945-Q1977 PolarHBondContact O-NE2 3.48Å; Q1977-A1981 VanDerWaalsContact O-CB 3.26Å; Q1977-A1981 WeakPolarHBondContact O-CB 3.39Å; Q1977-A1981 PolarHBondContact O-N 3.36Å; Q1977-D2031 PolarHBondContact OE1-O 3.03Å |
| 1978 | T | 79.4 | Confident | 82.6 | Confident | 9 Ų | 9 | 56.7 Ų | 56.7 | 6% | 0.055 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.9 | -46.4 | 177.7 | -42.9 | 0 | 0 | 0 | 0 | 111.9 | S1976 A1981 N1982 V2032 C2043 F2044 L2047 | S1976-T1978 PolarHBondContact O-N 2.89Å; T1978-A1981 PolarHBondContact O-N 3.02Å; T1978-N1982 VanDerWaalsContact O-CB 3.3Å; T1978-N1982 WeakPolarHBondContact O-CB 3.4Å; T1978-N1982 PolarHBondContact O-N 2.97Å; T1978-V2032 HydrophobicContact CG2-CG1 4.16Å; T1978-C2043 VanDerWaalsContact CG2-C 3.5Å; T1978-C2043 HydrophobicContact CG2-CB 3.87Å; T1978-F2044 HydrophobicContact CG2-CB 4.09Å; T1978-F2044 HydrophobicContact CG2-CD2 4.42Å; T1978-L2047 HydrophobicContact CG2-CB 4.35Å; T1978-L2047 HydrophobicContact CG2-CD2 4.13Å |
| 1979 | E | 80.5 | Confident | 82.7 | Confident | 51 Ų | 51 | 51.6 Ų | 51.6 | 24% | 0.238 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63 | -42.7 | 176.5 | -73.6 | 166.1 | 140.7 | 0 | 0 | 111.6 | R1973 L1975 S1976 N1982 K1983 | R1973-E1979 IonicContact CZ-OE1 3.12Å; R1973-E1979 IonicContact NH2-OE1 3.8Å; R1973-E1979 PolarHBondContact NH2-OE1 3.35Å; L1975-E1979 HydrophobicContact CD2-CB 4.38Å; S1976-E1979 WeakPolarHBondContact CB-OE2 3.43Å; S1976-E1979 PolarHBondContact N-OE2 2.94Å; S1976-E1979 PolarHBondContact O-N 2.92Å; S1976-E1979 WeakPolarHBondContact OG-CB 3.44Å; S1976-E1979 VanDerWaalsContact OG-CD 3.28Å; S1976-E1979 WeakPolarHBondContact OG-CG 3.3Å; S1976-E1979 PolarHBondContact OG-N 3.05Å; S1976-E1979 PolarHBondContact OG-OE2 3.09Å; E1979-N1982 PolarHBondContact O-N 2.8Å; E1979-K1983 WeakPolarHBondContact O-CB 3.41Å; E1979-K1983 PolarHBondContact O-N 3.33Å |
| 1980 | W | 82.2 | Confident | 82.6 | Confident | 55 Ų | 55 | 53 Ų | 53 | 21% | 0.208 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.3 | -47.3 | 177.9 | 176.1 | -113 | 0 | 0 | 0 | 112.1 | H1930 T1947 L1975 S1976 N1982 K1983 Q1984 | H1930-W1980 HydrophobicContact CB-CH2 3.76Å; H1930-W1980 HydrophobicContact CB-CZ3 3.56Å; H1930-W1980 AromaticContact CD2-CZ3 3.92Å; H1930-W1980 AromaticContact CG-CZ3 3.63Å; T1947-W1980 HydrophobicContact CG2-CD2 3.94Å; T1947-W1980 HydrophobicContact CG2-CE3 3.76Å; T1947-W1980 HydrophobicContact CG2-CH2 4.26Å; T1947-W1980 HydrophobicContact CG2-CZ2 4.46Å; T1947-W1980 HydrophobicContact CG2-CZ3 3.94Å; L1975-W1980 HydrophobicContact CD1-CE3 4.13Å; S1976-W1980 WeakPolarHBondContact O-CB 2.88Å; S1976-W1980 PolarHBondContact O-N 3.3Å; W1980-N1982 VanDerWaalsContact C-N 3.27Å; W1980-N1982 PolarHBondContact O-N 3.04Å; W1980-K1983 PolarHBondContact O-N 3.4Å; W1980-Q1984 HydrophobicContact CD2-CG 4.11Å; W1980-Q1984 HydrophobicContact CH2-CG 4.34Å; W1980-Q1984 HydrophobicContact CZ2-CG 3.85Å; W1980-Q1984 WeakPolarHBondContact O-CG 3.32Å; W1980-Q1984 PolarHBondContact O-N 3.29Å |
| 1981 | A | 82.1 | Confident | 82.2 | Confident | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.008 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.2 | -42.2 | 176 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q1977 T1978 Q1984 I1985 V2032 L2047 | Q1977-A1981 VanDerWaalsContact O-CB 3.26Å; Q1977-A1981 WeakPolarHBondContact O-CB 3.39Å; Q1977-A1981 PolarHBondContact O-N 3.36Å; T1978-A1981 PolarHBondContact O-N 3.02Å; A1981-Q1984 PolarHBondContact O-N 2.98Å; A1981-I1985 WeakPolarHBondContact O-CG1 3.34Å; A1981-I1985 PolarHBondContact O-N 3.06Å; A1981-V2032 HydrophobicContact CB-CG2 3.98Å; A1981-L2047 HydrophobicContact CB-CD1 3.94Å; A1981-L2047 HydrophobicContact CB-CD2 4.12Å |
| 1982 | N | 84.2 | Confident | 81.9 | Confident | 14 Ų | 14 | 49.1 Ų | 49.1 | 8% | 0.075 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.1 | -46.6 | 179.8 | -164 | 21.9 | 0 | 0 | 0 | 111.3 | T1978 E1979 W1980 Q1984 I1985 Q1986 L2047 S2050 | T1978-N1982 VanDerWaalsContact O-CB 3.3Å; T1978-N1982 WeakPolarHBondContact O-CB 3.4Å; T1978-N1982 PolarHBondContact O-N 2.97Å; E1979-N1982 PolarHBondContact O-N 2.8Å; W1980-N1982 VanDerWaalsContact C-N 3.27Å; W1980-N1982 PolarHBondContact O-N 3.04Å; N1982-Q1984 VanDerWaalsContact C-N 3.35Å; N1982-Q1984 PolarHBondContact O-N 3.47Å; N1982-I1985 PolarHBondContact O-N 2.96Å; N1982-Q1986 WeakPolarHBondContact O-CB 3.45Å; N1982-Q1986 WeakPolarHBondContact O-CG 3.33Å; N1982-Q1986 PolarHBondContact O-N 2.85Å; N1982-L2047 HydrophobicContact CB-CB 4.36Å; N1982-L2047 HydrophobicContact CB-CD1 4.03Å; N1982-S2050 PolarHBondContact OD1-OG 3.08Å |
| 1983 | K | 82.3 | Confident | 81.8 | Confident | 66 Ų | 66 | 48.7 Ų | 48.7 | 29% | 0.287 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.4 | -41.7 | 177.2 | -169.8 | 164.6 | 178.1 | 158.2 | 0 | 112.3 | H1930 E1949 E1979 W1980 G1987 | H1930-K1983 PolarHBondContact CE1-NZ 2.99Å; H1930-K1983 PolarHBondContact NE2-NZ 2.72Å; H1930-K1983 VanDerWaalsContact NE2-NZ 3.14Å; E1949-K1983 IonicContact OE2-NZ 3.37Å; E1949-K1983 PolarHBondContact OE2-NZ 3.05Å; E1979-K1983 WeakPolarHBondContact O-CB 3.41Å; E1979-K1983 PolarHBondContact O-N 3.33Å; W1980-K1983 PolarHBondContact O-N 3.4Å; K1983-G1987 PolarHBondContact O-N 3.29Å |
| 1984 | Q | 83.1 | Confident | 81.4 | Confident | 71 Ų | 71 | 44.7 Ų | 44.7 | 33% | 0.332 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.6 | -44 | 176 | -72.3 | -63.8 | -50 | 0 | 0 | 112.4 | W1980 A1981 N1982 G1987 I1988 L2028 | W1980-Q1984 HydrophobicContact CD2-CG 4.11Å; W1980-Q1984 HydrophobicContact CH2-CG 4.34Å; W1980-Q1984 HydrophobicContact CZ2-CG 3.85Å; W1980-Q1984 WeakPolarHBondContact O-CG 3.32Å; W1980-Q1984 PolarHBondContact O-N 3.29Å; A1981-Q1984 PolarHBondContact O-N 2.98Å; N1982-Q1984 VanDerWaalsContact C-N 3.35Å; N1982-Q1984 PolarHBondContact O-N 3.47Å; Q1984-G1987 PolarHBondContact O-N 3Å; Q1984-I1988 WeakPolarHBondContact O-CG1 3.44Å; Q1984-I1988 PolarHBondContact O-N 3.49Å; Q1984-I1988 VanDerWaalsContact O-N 3.09Å; Q1984-L2028 HydrophobicContact CB-CD1 4.3Å; Q1984-L2028 HydrophobicContact CB-CD2 4.32Å; Q1984-L2028 HydrophobicContact CG-CD2 4.41Å |
| 1985 | I | 84.6 | Confident | 81.3 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.8 | -44.2 | 179.7 | -70.5 | -176.4 | 0 | 0 | 0 | 111 | A1981 N1982 G1987 I1988 I1989 V2025 V2029 L2047 V2051 L2054 | A1981-I1985 WeakPolarHBondContact O-CG1 3.34Å; A1981-I1985 PolarHBondContact O-N 3.06Å; N1982-I1985 PolarHBondContact O-N 2.96Å; I1985-G1987 VanDerWaalsContact C-N 3.26Å; I1985-G1987 PolarHBondContact O-N 3Å; I1985-I1988 WeakPolarHBondContact O-CB 3.47Å; I1985-I1988 PolarHBondContact O-N 3.27Å; I1985-I1989 HydrophobicContact CG2-CD1 4.01Å; I1985-I1989 HydrophobicContact CG2-CG1 4.42Å; I1985-I1989 WeakPolarHBondContact O-CG1 3.48Å; I1985-I1989 PolarHBondContact O-N 3.29Å; I1985-V2025 HydrophobicContact CD1-CG1 4.3Å; I1985-V2029 HydrophobicContact CD1-CG2 3.9Å; I1985-L2047 HydrophobicContact CD1-CD1 3.72Å; I1985-V2051 HydrophobicContact CD1-CG2 3.42Å; I1985-V2051 VanDerWaalsContact CD1-CG2 3.42Å; I1985-L2054 HydrophobicContact CG2-CB 4.4Å; I1985-L2054 HydrophobicContact CG2-CD2 4.16Å |
| 1986 | Q | 84.1 | Confident | 81.3 | Confident | 85 Ų | 85 | 41.2 Ų | 41.2 | 40% | 0.397 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -58.9 | -38.5 | 174.3 | -73 | -174.1 | -8.5 | 0 | 0 | 112.3 | N1982 I1988 I1989 Q1990 | N1982-Q1986 WeakPolarHBondContact O-CB 3.45Å; N1982-Q1986 WeakPolarHBondContact O-CG 3.33Å; N1982-Q1986 PolarHBondContact O-N 2.85Å; Q1986-I1988 PolarHBondContact O-N 3.2Å; Q1986-I1989 PolarHBondContact O-N 3.49Å; Q1986-Q1990 WeakPolarHBondContact O-CG 3.39Å; Q1986-Q1990 PolarHBondContact O-N 3.04Å |
| 1987 | G | 82.6 | Confident | 81.3 | Confident | 36 Ų | 36 | 44.5 Ų | 44.5 | 37% | 0.371 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61 | -41.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | K1983 Q1984 I1985 A1991 | K1983-G1987 PolarHBondContact O-N 3.29Å; Q1984-G1987 PolarHBondContact O-N 3Å; I1985-G1987 VanDerWaalsContact C-N 3.26Å; I1985-G1987 PolarHBondContact O-N 3Å; G1987-A1991 WeakPolarHBondContact O-CB 3.34Å; G1987-A1991 PolarHBondContact O-N 3.28Å |
| 1988 | I | 82.2 | Confident | 81.1 | Confident | 44 Ų | 44 | 44.1 Ų | 44.1 | 23% | 0.226 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.3 | -43.1 | 175.7 | -63.4 | 166.5 | 0 | 0 | 0 | 110.8 | Q1984 I1985 Q1986 A1991 L1992 L2028 L2054 | Q1984-I1988 WeakPolarHBondContact O-CG1 3.44Å; Q1984-I1988 PolarHBondContact O-N 3.49Å; Q1984-I1988 VanDerWaalsContact O-N 3.09Å; I1985-I1988 WeakPolarHBondContact O-CB 3.47Å; I1985-I1988 PolarHBondContact O-N 3.27Å; Q1986-I1988 PolarHBondContact O-N 3.2Å; I1988-A1991 PolarHBondContact O-N 3.43Å; I1988-L1992 HydrophobicContact CG2-CD1 3.79Å; I1988-L1992 HydrophobicContact CG2-CG 4.31Å; I1988-L1992 WeakPolarHBondContact O-CB 3.11Å; I1988-L1992 WeakPolarHBondContact O-CG 3.15Å; I1988-L1992 PolarHBondContact O-N 3.46Å; I1988-L2028 HydrophobicContact CD1-CD1 4.09Å; I1988-L2054 HydrophobicContact CG2-CD1 3.74Å; I1988-L2054 HydrophobicContact CG2-CD2 4.23Å |
| 1989 | I | 85.4 | Confident | 80.7 | Confident | 9 Ų | 9 | 44.2 Ų | 44.2 | 5% | 0.046 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.3 | -51.4 | 177.2 | -66.7 | 167.5 | 0 | 0 | 0 | 110.2 | I1985 Q1986 A1991 L1992 H1993 S2050 E2053 L2054 L2057 | I1985-I1989 HydrophobicContact CG2-CD1 4.01Å; I1985-I1989 HydrophobicContact CG2-CG1 4.42Å; I1985-I1989 WeakPolarHBondContact O-CG1 3.48Å; I1985-I1989 PolarHBondContact O-N 3.29Å; Q1986-I1989 PolarHBondContact O-N 3.49Å; I1989-A1991 VanDerWaalsContact C-N 3.33Å; I1989-A1991 PolarHBondContact O-N 3.41Å; I1989-L1992 PolarHBondContact O-N 2.94Å; I1989-H1993 WeakPolarHBondContact O-CB 3.3Å; I1989-H1993 PolarHBondContact O-N 3.34Å; I1989-S2050 WeakPolarHBondContact CD1-O 3.48Å; I1989-E2053 HydrophobicContact CD1-CB 4.21Å; I1989-E2053 HydrophobicContact CD1-CG 4.24Å; I1989-E2053 HydrophobicContact CG2-CG 4.24Å; I1989-L2054 HydrophobicContact CD1-CB 4.17Å; I1989-L2054 HydrophobicContact CG1-CB 3.75Å; I1989-L2054 HydrophobicContact CG1-CD1 4.03Å; I1989-L2054 HydrophobicContact CG1-CG 4.42Å; I1989-L2057 HydrophobicContact CG2-CD2 4.12Å; I1989-L2057 WeakPolarHBondContact O-CD2 3.37Å |
| 1990 | Q | 81.8 | Confident | 80.3 | Confident | 138 Ų | 138 | 48.1 Ų | 48.1 | 65% | 0.645 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -60.6 | -42.9 | -179.8 | -71 | 176.1 | 8.1 | 0 | 0 | 111.9 | Q1986 H1993 A1994 | Q1986-Q1990 WeakPolarHBondContact O-CG 3.39Å; Q1986-Q1990 PolarHBondContact O-N 3.04Å; Q1990-H1993 PolarHBondContact O-N 3.01Å; Q1990-A1994 WeakPolarHBondContact O-CB 3.47Å; Q1990-A1994 PolarHBondContact O-N 3.5Å |
| 1991 | A | 78.9 | Confident | 79.7 | Confident | 44 Ų | 44 | 49.9 Ų | 49.9 | 36% | 0.364 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.1 | -49.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | G1987 I1988 I1989 H1993 A1994 D1995 | G1987-A1991 WeakPolarHBondContact O-CB 3.34Å; G1987-A1991 PolarHBondContact O-N 3.28Å; I1988-A1991 PolarHBondContact O-N 3.43Å; I1989-A1991 VanDerWaalsContact C-N 3.33Å; I1989-A1991 PolarHBondContact O-N 3.41Å; A1991-H1993 VanDerWaalsContact C-N 3.33Å; A1991-H1993 PolarHBondContact O-N 3.42Å; A1991-A1994 PolarHBondContact O-N 2.99Å; A1991-D1995 PolarHBondContact O-N 2.73Å; A1991-D1995 VanDerWaalsContact O-OD2 3.12Å |
| 1992 | L | 81.9 | Confident | 78.4 | Confident | 4 Ų | 4 | 55.1 Ų | 55.1 | 2% | 0.021 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.5 | -36.9 | 178.9 | -77.2 | 172 | 0 | 0 | 0 | 112.5 | I1988 I1989 D1995 L1996 L2013 L2054 L2057 Q2058 F2061 | I1988-L1992 HydrophobicContact CG2-CD1 3.79Å; I1988-L1992 HydrophobicContact CG2-CG 4.31Å; I1988-L1992 WeakPolarHBondContact O-CB 3.11Å; I1988-L1992 WeakPolarHBondContact O-CG 3.15Å; I1988-L1992 PolarHBondContact O-N 3.46Å; I1989-L1992 PolarHBondContact O-N 2.94Å; L1992-D1995 PolarHBondContact O-N 2.98Å; L1992-L1996 WeakPolarHBondContact O-CB 3.39Å; L1992-L1996 PolarHBondContact O-N 3.19Å; L1992-L2013 HydrophobicContact CD2-CB 4.32Å; L1992-L2013 HydrophobicContact CD2-CD1 4.42Å; L1992-L2054 HydrophobicContact CD1-CD1 3.55Å; L1992-L2057 HydrophobicContact CB-CD2 3.7Å; L1992-L2057 HydrophobicContact CB-CG 4.39Å; L1992-Q2058 HydrophobicContact CD1-CG 4.2Å; L1992-F2061 HydrophobicContact CD2-CD1 4.16Å; L1992-F2061 HydrophobicContact CD2-CE1 4.26Å |
| 1993 | H | 81.9 | Confident | 77.1 | Confident | 98 Ų | 98 | 64.6 Ų | 64.6 | 45% | 0.454 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.3 | -42.5 | 178.6 | -170.5 | -99.2 | 0 | 0 | 0 | 110.5 | I1989 Q1990 A1991 L1996 I1997 L2057 | I1989-H1993 WeakPolarHBondContact O-CB 3.3Å; I1989-H1993 PolarHBondContact O-N 3.34Å; Q1990-H1993 PolarHBondContact O-N 3.01Å; A1991-H1993 VanDerWaalsContact C-N 3.33Å; A1991-H1993 PolarHBondContact O-N 3.42Å; H1993-L1996 PolarHBondContact O-N 3.36Å; H1993-I1997 VanDerWaalsContact CE1-CD1 3.46Å; H1993-I1997 WeakPolarHBondContact CE1-CD1 3.42Å; H1993-I1997 VanDerWaalsContact O-CG1 3.31Å; H1993-I1997 WeakPolarHBondContact O-CG1 3.38Å; H1993-I1997 PolarHBondContact O-N 2.9Å; H1993-L2057 HydrophobicContact CB-CD1 4.44Å; H1993-L2057 HydrophobicContact CB-CD2 3.99Å |
| 1994 | A | 78.2 | Confident | 75.6 | Confident | 55 Ų | 55 | 63.2 Ų | 63.2 | 46% | 0.455 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.3 | -44.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q1990 A1991 L1996 I1997 S1998 | Q1990-A1994 WeakPolarHBondContact O-CB 3.47Å; Q1990-A1994 PolarHBondContact O-N 3.5Å; A1991-A1994 PolarHBondContact O-N 2.99Å; A1994-L1996 PolarHBondContact O-N 3.35Å; A1994-I1997 PolarHBondContact O-N 3.13Å; A1994-S1998 WeakPolarHBondContact O-CB 3.5Å; A1994-S1998 PolarHBondContact O-N 2.82Å; A1994-S1998 PolarHBondContact O-OG 2.93Å |
| 1995 | D | 79.4 | Confident | 74.5 | Confident | 15 Ų | 15 | 65.7 Ų | 65.7 | 8% | 0.08 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.9 | -44.2 | 177.6 | -67.2 | -37.6 | 0 | 0 | 0 | 111.3 | A1991 L1992 I1997 S1998 A1999 Y2009 K2012 F2061 | A1991-D1995 PolarHBondContact O-N 2.73Å; A1991-D1995 VanDerWaalsContact O-OD2 3.12Å; L1992-D1995 PolarHBondContact O-N 2.98Å; D1995-I1997 PolarHBondContact O-N 3.25Å; D1995-S1998 WeakPolarHBondContact CA-OG 3.28Å; D1995-S1998 PolarHBondContact O-N 3.47Å; D1995-S1998 PolarHBondContact O-OG 3.43Å; D1995-A1999 VanDerWaalsContact O-CB 3.29Å; D1995-A1999 WeakPolarHBondContact O-CB 3.37Å; D1995-A1999 PolarHBondContact O-N 3.1Å; D1995-Y2009 HydrophobicContact CB-CD1 3.91Å; D1995-K2012 IonicContact OD1-NZ 2.93Å; D1995-K2012 PolarHBondContact OD1-NZ 3.18Å; D1995-K2012 WeakPolarHBondContact OD2-CD 3.32Å; D1995-K2012 IonicContact OD2-NZ 2.63Å; D1995-K2012 PolarHBondContact OD2-NZ 3.47Å; D1995-F2061 HydrophobicContact CB-CE1 4.14Å; D1995-F2061 HydrophobicContact CB-CZ 4.36Å |
| 1996 | L | 79 | Confident | 73.7 | Confident | 10 Ų | 10 | 67.2 Ų | 67.2 | 5% | 0.052 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.2 | -41.8 | 177.2 | 179.1 | 67.2 | 0 | 0 | 0 | 112.3 | L1992 H1993 A1994 K2000 L2057 T2060 F2061 F2064 | L1992-L1996 WeakPolarHBondContact O-CB 3.39Å; L1992-L1996 PolarHBondContact O-N 3.19Å; H1993-L1996 PolarHBondContact O-N 3.36Å; A1994-L1996 PolarHBondContact O-N 3.35Å; L1996-K2000 WeakPolarHBondContact O-CG 3.45Å; L1996-K2000 PolarHBondContact O-N 2.9Å; L1996-K2000 VanDerWaalsContact O-N 3.11Å; L1996-L2057 HydrophobicContact CD2-CD1 3.92Å; L1996-T2060 HydrophobicContact CD2-CG2 4.06Å; L1996-F2061 HydrophobicContact CB-CD1 4.38Å; L1996-F2061 HydrophobicContact CB-CE1 4.33Å; L1996-F2061 HydrophobicContact CB-CE2 4.44Å; L1996-F2061 HydrophobicContact CB-CG 4.47Å; L1996-F2061 HydrophobicContact CB-CZ 4.34Å; L1996-F2061 HydrophobicContact CD1-CB 4.22Å; L1996-F2061 HydrophobicContact CD1-CD2 3.39Å; L1996-F2061 HydrophobicContact CD1-CE2 3.74Å; L1996-F2061 HydrophobicContact CD1-CG 3.83Å; L1996-F2061 HydrophobicContact CD1-CZ 4.46Å; L1996-F2064 HydrophobicContact CD1-CB 4.2Å; L1996-F2064 HydrophobicContact CD1-CD1 4.26Å; L1996-F2064 HydrophobicContact CD1-CG 4.24Å |
| 1997 | I | 76.2 | Confident | 73.1 | Confident | 94 Ų | 94 | 67.1 Ų | 67.1 | 48% | 0.482 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.5 | -46.8 | 175.4 | -69.7 | 167.6 | 0 | 0 | 0 | 110 | H1993 A1994 D1995 A1999 K2000 S2001 | H1993-I1997 VanDerWaalsContact CE1-CD1 3.46Å; H1993-I1997 WeakPolarHBondContact CE1-CD1 3.42Å; H1993-I1997 VanDerWaalsContact O-CG1 3.31Å; H1993-I1997 WeakPolarHBondContact O-CG1 3.38Å; H1993-I1997 PolarHBondContact O-N 2.9Å; A1994-I1997 PolarHBondContact O-N 3.13Å; D1995-I1997 PolarHBondContact O-N 3.25Å; I1997-A1999 PolarHBondContact O-N 3.28Å; I1997-K2000 PolarHBondContact O-N 3.1Å; I1997-S2001 PolarHBondContact O-N 3.29Å; I1997-S2001 VanDerWaalsContact O-N 3.15Å; I1997-S2001 PolarHBondContact O-OG 3.15Å |
| 1998 | S | 73.3 | Confident | 72.6 | Confident | 28 Ų | 28 | 72.1 Ų | 72.1 | 20% | 0.196 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -61.9 | -44 | 179.6 | 66.4 | 0 | 0 | 0 | 0 | 112.1 | A1994 D1995 K2000 S2001 Q2002 Y2009 | A1994-S1998 WeakPolarHBondContact O-CB 3.5Å; A1994-S1998 PolarHBondContact O-N 2.82Å; A1994-S1998 PolarHBondContact O-OG 2.93Å; D1995-S1998 WeakPolarHBondContact CA-OG 3.28Å; D1995-S1998 PolarHBondContact O-N 3.47Å; D1995-S1998 PolarHBondContact O-OG 3.43Å; S1998-K2000 VanDerWaalsContact C-N 3.31Å; S1998-K2000 PolarHBondContact O-N 2.92Å; S1998-S2001 WeakPolarHBondContact CA-OG 3.39Å; S1998-S2001 PolarHBondContact O-N 3.21Å; S1998-S2001 VanDerWaalsContact O-N 3.07Å; S1998-S2001 PolarHBondContact O-OG 3.44Å; S1998-Q2002 PolarHBondContact O-N 3.02Å; S1998-Y2009 WeakPolarHBondContact OG-CE1 3.36Å; S1998-Y2009 PolarHBondContact OG-OH 3.26Å |
| 1999 | A | 71.7 | Confident | 72.3 | Confident | 10 Ų | 10 | 71.3 Ų | 71.3 | 8% | 0.083 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -65.2 | -28.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | D1995 I1997 Y2009 F2061 F2064 | D1995-A1999 VanDerWaalsContact O-CB 3.29Å; D1995-A1999 WeakPolarHBondContact O-CB 3.37Å; D1995-A1999 PolarHBondContact O-N 3.1Å; I1997-A1999 PolarHBondContact O-N 3.28Å; A1999-Y2009 HydrophobicContact CB-CD2 3.75Å; A1999-Y2009 HydrophobicContact CB-CE2 4.1Å; A1999-Y2009 HydrophobicContact CB-CG 4.16Å; A1999-F2061 HydrophobicContact CB-CE2 4.31Å; A1999-F2061 HydrophobicContact CB-CZ 4.42Å; A1999-F2064 HydrophobicContact CB-CE1 3.86Å; A1999-F2064 HydrophobicContact CB-CZ 4.39Å; A1999-F2064 WeakPolarHBondContact O-CZ 3.47Å |
| 2000 | K | 71.6 | Confident | 71.9 | Confident | 134 Ų | 134 | 71.9 Ų | 71.9 | 58% | 0.583 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -76.6 | -27.1 | 172.3 | -78.3 | -179.7 | 178 | -180 | 0 | 113.4 | L1996 I1997 S1998 F2064 | L1996-K2000 WeakPolarHBondContact O-CG 3.45Å; L1996-K2000 PolarHBondContact O-N 2.9Å; L1996-K2000 VanDerWaalsContact O-N 3.11Å; I1997-K2000 PolarHBondContact O-N 3.1Å; S1998-K2000 VanDerWaalsContact C-N 3.31Å; S1998-K2000 PolarHBondContact O-N 2.92Å; K2000-F2064 HydrophobicContact CG-CD2 4.06Å; K2000-F2064 HydrophobicContact CG-CE2 3.6Å; K2000-F2064 HydrophobicContact CG-CZ 3.95Å |
| 2001 | S | 68.2 | Low | 71.7 | Confident | 91 Ų | 91 | 67.5 Ų | 67.5 | 64% | 0.636 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -91.5 | -33.2 | -171.7 | 67.5 | 0 | 0 | 0 | 0 | 114.3 | I1997 S1998 | I1997-S2001 PolarHBondContact O-N 3.29Å; I1997-S2001 VanDerWaalsContact O-N 3.15Å; I1997-S2001 PolarHBondContact O-OG 3.15Å; S1998-S2001 WeakPolarHBondContact CA-OG 3.39Å; S1998-S2001 PolarHBondContact O-N 3.21Å; S1998-S2001 VanDerWaalsContact O-N 3.07Å; S1998-S2001 PolarHBondContact O-OG 3.44Å |
| 2002 | Q | 56.5 | Low | 71.6 | Confident | 111 Ų | 111 | 70.3 Ų | 70.3 | 52% | 0.519 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -103.8 | 133.6 | 176.9 | -71.8 | 175.5 | -27.8 | 0 | 0 | 108.4 | S1998 A2004 Y2009 | S1998-Q2002 PolarHBondContact O-N 3.02Å; Q2002-A2004 HydrophobicContact CB-CB 3.69Å; Q2002-A2004 PolarHBondContact O-N 3.02Å; Q2002-Y2009 PolarHBondContact OE1-OH 3.07Å |
| 2003 | E | 56.4 | Low | 71.7 | Confident | 213 Ų | 213 | 70.2 Ų | 70.2 | 100% | 0.995 | 38% | 0.384 | S | S | * | . | trans | -66.2 | 33.9 | 162.6 | -66.8 | 179.7 | 160 | 0 | 0 | 111.6 | ||||
| 2004 | A | 50.6 | Low | 71.8 | Confident | 38 Ų | 38 | 67 Ų | 67 | 31% | 0.314 | 37% | 0.371 | S | S | . | . | trans | -81.1 | 148.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q2002 L2006 | Q2002-A2004 HydrophobicContact CB-CB 3.69Å; Q2002-A2004 PolarHBondContact O-N 3.02Å; A2004-L2006 PolarHBondContact O-N 2.94Å | ||
| 2005 | N | 60.3 | Low | 71.8 | Confident | 122 Ų | 122 | 67 Ų | 67 | 65% | 0.652 | 37% | 0.368 | S | S | * | . | trans | -49.3 | 103.9 | -179.3 | -70.5 | -27.2 | 0 | 0 | 0 | 112.4 | S2007 Q2008 | N2005-S2007 PolarHBondContact O-N 2.93Å; N2005-S2007 PolarHBondContact O-OG 2.67Å; N2005-Q2008 PolarHBondContact O-N 2.81Å | ||
| 2006 | L | 67.6 | Low | 71.9 | Confident | 32 Ų | 32 | 66.6 Ų | 66.6 | 17% | 0.168 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -41.5 | -31.8 | 177.9 | -164.5 | 70.9 | 0 | 0 | 0 | 113.8 | A2004 Q2008 Y2009 I2010 F2064 W2065 N2068 D2069 | A2004-L2006 PolarHBondContact O-N 2.94Å; L2006-Q2008 VanDerWaalsContact C-N 3.28Å; L2006-Q2008 PolarHBondContact O-N 3.23Å; L2006-Y2009 PolarHBondContact O-N 3.09Å; L2006-I2010 HydrophobicContact CB-CD1 4.23Å; L2006-I2010 HydrophobicContact CD2-CD1 3.96Å; L2006-I2010 HydrophobicContact CG-CD1 3.72Å; L2006-I2010 HydrophobicContact CG-CG1 4.12Å; L2006-I2010 WeakPolarHBondContact O-CG1 3.42Å; L2006-I2010 PolarHBondContact O-N 2.93Å; L2006-F2064 HydrophobicContact CD1-CD1 4.13Å; L2006-F2064 HydrophobicContact CD1-CE1 3.61Å; L2006-W2065 HydrophobicContact CD2-CG 4.16Å; L2006-N2068 HydrophobicContact CD2-CB 3.96Å; L2006-D2069 HydrophobicContact CD2-CB 4.48Å |
| 2007 | S | 70.8 | Confident | 72.1 | Confident | 83 Ų | 83 | 66.5 Ų | 66.5 | 58% | 0.58 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -48.4 | -34.6 | 174.9 | 62.8 | 0 | 0 | 0 | 0 | 116.3 | N2005 Y2009 | N2005-S2007 PolarHBondContact O-N 2.93Å; N2005-S2007 PolarHBondContact O-OG 2.67Å; S2007-Y2009 VanDerWaalsContact C-N 3.35Å; S2007-Y2009 PolarHBondContact O-N 3.28Å |
| 2008 | Q | 72.1 | Confident | 72.1 | Confident | 142 Ų | 142 | 65.4 Ų | 65.4 | 66% | 0.664 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -70.2 | -31.9 | -177.7 | -73 | -175.1 | -8.5 | 0 | 0 | 112.6 | N2005 L2006 | N2005-Q2008 PolarHBondContact O-N 2.81Å; L2006-Q2008 VanDerWaalsContact C-N 3.28Å; L2006-Q2008 PolarHBondContact O-N 3.23Å |
| 2009 | Y | 77.3 | Confident | 71.9 | Confident | 26 Ų | 26 | 64.9 Ų | 64.9 | 10% | 0.102 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -93 | -29.8 | -175.9 | -54.8 | -71.9 | 0 | 0 | 0 | 112.4 | D1995 S1998 A1999 Q2002 L2006 S2007 G2011 K2012 L2013 | D1995-Y2009 HydrophobicContact CB-CD1 3.91Å; S1998-Y2009 WeakPolarHBondContact OG-CE1 3.36Å; S1998-Y2009 PolarHBondContact OG-OH 3.26Å; A1999-Y2009 HydrophobicContact CB-CD2 3.75Å; A1999-Y2009 HydrophobicContact CB-CE2 4.1Å; A1999-Y2009 HydrophobicContact CB-CG 4.16Å; Q2002-Y2009 PolarHBondContact OE1-OH 3.07Å; L2006-Y2009 PolarHBondContact O-N 3.09Å; S2007-Y2009 VanDerWaalsContact C-N 3.35Å; S2007-Y2009 PolarHBondContact O-N 3.28Å; Y2009-G2011 PolarHBondContact O-N 3.39Å; Y2009-K2012 PolarHBondContact O-N 2.85Å; Y2009-L2013 PolarHBondContact O-N 3.28Å |
| 2010 | I | 76.3 | Confident | 71.1 | Confident | 22 Ų | 22 | 70.2 Ų | 70.2 | 11% | 0.113 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -54.9 | -38.2 | 178.9 | -72.4 | 163.9 | 0 | 0 | 0 | 111.7 | L2006 K2012 L2013 V2014 W2065 | L2006-I2010 HydrophobicContact CB-CD1 4.23Å; L2006-I2010 HydrophobicContact CD2-CD1 3.96Å; L2006-I2010 HydrophobicContact CG-CD1 3.72Å; L2006-I2010 HydrophobicContact CG-CG1 4.12Å; L2006-I2010 WeakPolarHBondContact O-CG1 3.42Å; L2006-I2010 PolarHBondContact O-N 2.93Å; I2010-K2012 VanDerWaalsContact C-N 3.32Å; I2010-K2012 PolarHBondContact O-N 2.69Å; I2010-L2013 PolarHBondContact O-N 3.25Å; I2010-V2014 HydrophobicContact CG2-CG2 3.72Å; I2010-V2014 WeakPolarHBondContact O-CB 3.44Å; I2010-V2014 VanDerWaalsContact O-CG2 3.28Å; I2010-V2014 WeakPolarHBondContact O-CG2 3.21Å; I2010-V2014 PolarHBondContact O-N 3.22Å; I2010-W2065 HydrophobicContact CD1-CD2 4.05Å; I2010-W2065 VanDerWaalsContact CD1-CE2 3.45Å; I2010-W2065 HydrophobicContact CD1-CG 4.4Å; I2010-W2065 HydrophobicContact CD1-CZ2 3.74Å; I2010-W2065 HydrophobicContact CG1-CD2 4Å; I2010-W2065 HydrophobicContact CG1-CE3 4.36Å; I2010-W2065 HydrophobicContact CG1-CG 4.46Å; I2010-W2065 HydrophobicContact CG1-CZ2 4.15Å; I2010-W2065 HydrophobicContact CG2-CE3 4.38Å; I2010-W2065 HydrophobicContact CG2-CH2 3.45Å; I2010-W2065 VanDerWaalsContact CG2-CH2 3.45Å; I2010-W2065 HydrophobicContact CG2-CZ2 3.7Å; I2010-W2065 HydrophobicContact CG2-CZ3 3.83Å |
| 2011 | G | 78 | Confident | 70.2 | Confident | 46 Ų | 46 | 70.5 Ų | 70.5 | 47% | 0.474 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -57.1 | -40.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114 | Y2009 S2015 | Y2009-G2011 PolarHBondContact O-N 3.39Å; G2011-S2015 WeakPolarHBondContact O-CB 3.37Å; G2011-S2015 PolarHBondContact O-N 3.23Å |
| 2012 | K | 77.4 | Confident | 69.7 | Low | 103 Ų | 103 | 69.7 Ų | 69.7 | 45% | 0.448 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -72.8 | -40.4 | 177.2 | -73.3 | 174.6 | -179.2 | 176.3 | 0 | 112 | D1995 Y2009 I2010 S2015 S2016 | D1995-K2012 IonicContact OD1-NZ 2.93Å; D1995-K2012 PolarHBondContact OD1-NZ 3.18Å; D1995-K2012 WeakPolarHBondContact OD2-CD 3.32Å; D1995-K2012 IonicContact OD2-NZ 2.63Å; D1995-K2012 PolarHBondContact OD2-NZ 3.47Å; Y2009-K2012 PolarHBondContact O-N 2.85Å; I2010-K2012 VanDerWaalsContact C-N 3.32Å; I2010-K2012 PolarHBondContact O-N 2.69Å; K2012-S2015 WeakPolarHBondContact CA-OG 3.25Å; K2012-S2015 PolarHBondContact O-N 3.48Å; K2012-S2015 PolarHBondContact O-OG 3.18Å; K2012-S2016 PolarHBondContact O-N 3.04Å |
| 2013 | L | 82.5 | Confident | 70 | Confident | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.005 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -57.6 | -50.7 | 173.3 | 177.2 | 63.7 | 0 | 0 | 0 | 110.8 | L1992 Y2009 I2010 S2015 S2016 I2017 Q2058 F2061 L2062 W2065 | L1992-L2013 HydrophobicContact CD2-CB 4.32Å; L1992-L2013 HydrophobicContact CD2-CD1 4.42Å; Y2009-L2013 PolarHBondContact O-N 3.28Å; I2010-L2013 PolarHBondContact O-N 3.25Å; L2013-S2015 VanDerWaalsContact C-N 3.32Å; L2013-S2015 PolarHBondContact O-N 3.18Å; L2013-S2016 PolarHBondContact O-N 3.38Å; L2013-S2016 VanDerWaalsContact O-N 3.07Å; L2013-S2016 PolarHBondContact O-OG 3.21Å; L2013-I2017 HydrophobicContact CD1-CD1 3.89Å; L2013-I2017 HydrophobicContact CD1-CG1 4.4Å; L2013-I2017 HydrophobicContact CG-CD1 4.01Å; L2013-I2017 PolarHBondContact O-N 3.32Å; L2013-I2017 VanDerWaalsContact O-N 3.09Å; L2013-Q2058 HydrophobicContact CD1-CB 4.31Å; L2013-Q2058 HydrophobicContact CD1-CG 4.13Å; L2013-F2061 HydrophobicContact CB-CD1 4.15Å; L2013-F2061 HydrophobicContact CB-CE1 4.4Å; L2013-F2061 HydrophobicContact CD1-CB 4Å; L2013-F2061 HydrophobicContact CD1-CD1 3.99Å; L2013-F2061 HydrophobicContact CD1-CG 4.28Å; L2013-F2061 HydrophobicContact CD2-CB 4.03Å; L2013-F2061 HydrophobicContact CD2-CD1 4.13Å; L2013-F2061 HydrophobicContact CD2-CD2 4.46Å; L2013-F2061 HydrophobicContact CD2-CG 3.93Å; L2013-F2061 HydrophobicContact CG-CD1 4.31Å; L2013-L2062 HydrophobicContact CD2-CD2 4.19Å; L2013-L2062 HydrophobicContact CD2-CG 4.42Å; L2013-W2065 HydrophobicContact CD2-CE3 4.02Å |
| 2014 | V | 83.6 | Confident | 70.6 | Confident | 30 Ų | 30 | 56.4 Ų | 56.4 | 18% | 0.182 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -54.8 | -48.9 | 175.3 | 170.7 | 0 | 0 | 0 | 0 | 110.1 | I2010 S2016 I2017 Q2018 W2065 M2111 | I2010-V2014 HydrophobicContact CG2-CG2 3.72Å; I2010-V2014 WeakPolarHBondContact O-CB 3.44Å; I2010-V2014 VanDerWaalsContact O-CG2 3.28Å; I2010-V2014 WeakPolarHBondContact O-CG2 3.21Å; I2010-V2014 PolarHBondContact O-N 3.22Å; V2014-S2016 VanDerWaalsContact C-N 3.26Å; V2014-S2016 PolarHBondContact O-N 2.83Å; V2014-I2017 PolarHBondContact O-N 3.5Å; V2014-Q2018 CarbonylContact O-C 3.36Å; V2014-Q2018 PolarHBondContact O-N 3.11Å; V2014-W2065 HydrophobicContact CG2-CH2 4.41Å; V2014-W2065 HydrophobicContact CG2-CZ3 4.39Å; V2014-M2111 HydrophobicContact CB-SD 4.23Å; V2014-M2111 HydrophobicContact CG1-CE 4.37Å; V2014-M2111 HydrophobicContact CG1-SD 3.86Å; V2014-M2111 HydrophobicContact CG2-CG 4.09Å; V2014-M2111 HydrophobicContact CG2-SD 3.98Å |
| 2015 | S | 78.3 | Confident | 71.9 | Confident | 56 Ų | 56 | 54.8 Ų | 54.8 | 39% | 0.392 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.7 | -29.5 | 179 | 77.8 | 0 | 0 | 0 | 0 | 114 | G2011 K2012 L2013 S2019 | G2011-S2015 WeakPolarHBondContact O-CB 3.37Å; G2011-S2015 PolarHBondContact O-N 3.23Å; K2012-S2015 WeakPolarHBondContact CA-OG 3.25Å; K2012-S2015 PolarHBondContact O-N 3.48Å; K2012-S2015 PolarHBondContact O-OG 3.18Å; L2013-S2015 VanDerWaalsContact C-N 3.32Å; L2013-S2015 PolarHBondContact O-N 3.18Å; S2015-S2019 VanDerWaalsContact O-CB 3.29Å; S2015-S2019 WeakPolarHBondContact O-CB 3.5Å; S2015-S2019 PolarHBondContact O-N 2.93Å |
| 2016 | S | 82.9 | Confident | 72.5 | Confident | 6 Ų | 6 | 51.5 Ų | 51.5 | 4% | 0.042 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -76.1 | -34.6 | 178.5 | 78 | 0 | 0 | 0 | 0 | 112.6 | K2012 L2013 V2014 Q2058 | K2012-S2016 PolarHBondContact O-N 3.04Å; L2013-S2016 PolarHBondContact O-N 3.38Å; L2013-S2016 VanDerWaalsContact O-N 3.07Å; L2013-S2016 PolarHBondContact O-OG 3.21Å; V2014-S2016 VanDerWaalsContact C-N 3.26Å; V2014-S2016 PolarHBondContact O-N 2.83Å; S2016-Q2058 VanDerWaalsContact C-NE2 3.35Å; S2016-Q2058 PolarHBondContact O-NE2 2.88Å; S2016-Q2058 PolarHBondContact OG-NE2 3.44Å |
| 2017 | I | 81.7 | Confident | 72.7 | Confident | 8 Ų | 8 | 56 Ų | 56 | 4% | 0.041 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -79.9 | -46 | 177.9 | -64.2 | 169 | 0 | 0 | 0 | 109.6 | L2013 V2014 Q2058 L2062 Y2115 | L2013-I2017 HydrophobicContact CD1-CD1 3.89Å; L2013-I2017 HydrophobicContact CD1-CG1 4.4Å; L2013-I2017 HydrophobicContact CG-CD1 4.01Å; L2013-I2017 PolarHBondContact O-N 3.32Å; L2013-I2017 VanDerWaalsContact O-N 3.09Å; V2014-I2017 PolarHBondContact O-N 3.5Å; I2017-Q2058 HydrophobicContact CG1-CG 4.28Å; I2017-L2062 HydrophobicContact CD1-CD1 4.03Å; I2017-L2062 HydrophobicContact CD1-CD2 4.16Å; I2017-L2062 HydrophobicContact CD1-CG 4.23Å; I2017-Y2115 HydrophobicContact CG1-CD2 4.48Å |
| 2018 | Q | 76.4 | Confident | 72.8 | Confident | 71 Ų | 71 | 54.7 Ų | 54.7 | 33% | 0.332 | 32% | 0.321 | S | S | . | . | trans | -146.9 | 102.4 | 179.1 | -168.5 | -173.7 | 22.3 | 0 | 0 | 110.3 | V2014 P2020 Y2114 | V2014-Q2018 CarbonylContact O-C 3.36Å; V2014-Q2018 PolarHBondContact O-N 3.11Å; Q2018-P2020 VanDerWaalsContact O-CD 3.26Å; Q2018-P2020 WeakPolarHBondContact O-CD 3.49Å; Q2018-Y2114 HydrophobicContact CB-CG 4.5Å | ||
| 2019 | S | 70.1 | Confident | 73.1 | Confident | 18 Ų | 18 | 48 Ų | 48 | 13% | 0.126 | 29% | 0.29 | C | S | . | . | trans | -91.8 | 110.7 | 170.1 | 177 | 0 | 0 | 0 | 0 | 110.5 | S2015 V2021 S2022 G2023 | S2015-S2019 VanDerWaalsContact O-CB 3.29Å; S2015-S2019 WeakPolarHBondContact O-CB 3.5Å; S2015-S2019 PolarHBondContact O-N 2.93Å; S2019-V2021 PolarHBondContact O-N 3.32Å; S2019-S2022 WeakPolarHBondContact CB-OG 3.17Å; S2019-S2022 WeakPolarHBondContact OG-CB 3.43Å; S2019-S2022 PolarHBondContact OG-N 2.89Å; S2019-S2022 PolarHBondContact OG-OG 3.34Å; S2019-G2023 PolarHBondContact O-N 3.44Å; S2019-G2023 VanDerWaalsContact O-N 3.08Å | ||
| 2020 | P | 55.6 | Low | 72.8 | Confident | 121 Ų | 121 | 54 Ų | 54 | 79% | 0.786 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -24.2 | -179.4 | 23.2 | -31.1 | 0 | 0 | 0 | 113.4 | Q2018 | Q2018-P2020 VanDerWaalsContact O-CD 3.26Å; Q2018-P2020 WeakPolarHBondContact O-CD 3.49Å |
| 2021 | V | 51.8 | Low | 72.3 | Confident | 141 Ų | 141 | 56.6 Ų | 56.6 | 86% | 0.855 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.3 | -39.7 | -176.4 | -171.6 | 0 | 0 | 0 | 0 | 112.2 | S2019 | S2019-V2021 PolarHBondContact O-N 3.32Š|
| 2022 | S | 57.6 | Low | 72.1 | Confident | 74 Ų | 74 | 54.6 Ų | 54.6 | 52% | 0.517 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -9.8 | -176 | 69.7 | 0 | 0 | 0 | 0 | 114.7 | S2019 G2024 K2027 | S2019-S2022 WeakPolarHBondContact CB-OG 3.17Å; S2019-S2022 WeakPolarHBondContact OG-CB 3.43Å; S2019-S2022 PolarHBondContact OG-N 2.89Å; S2019-S2022 PolarHBondContact OG-OG 3.34Å; S2022-G2024 VanDerWaalsContact C-N 3.28Å; S2022-G2024 PolarHBondContact O-N 3.49Å; S2022-K2027 WeakPolarHBondContact O-CD 3.33Å |
| 2023 | G | 62 | Low | 71.7 | Confident | 36 Ų | 36 | 55.3 Ų | 55.3 | 37% | 0.371 | 31% | 0.314 | S | S | . | . | trans | 80.3 | -0.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | S2019 K2027 | S2019-G2023 PolarHBondContact O-N 3.44Å; S2019-G2023 VanDerWaalsContact O-N 3.08Å; G2023-K2027 WeakPolarHBondContact O-CB 3.28Å; G2023-K2027 PolarHBondContact O-N 2.85Å | ||
| 2024 | G | 69.9 | Low | 70.9 | Confident | 8 Ų | 8 | 60.7 Ų | 60.7 | 8% | 0.082 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | 65.2 | -166 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | S2022 P2026 K2027 L2028 | S2022-G2024 VanDerWaalsContact C-N 3.28Å; S2022-G2024 PolarHBondContact O-N 3.49Å; G2024-P2026 VanDerWaalsContact C-N 3.31Å; G2024-K2027 PolarHBondContact O-N 3.49Å; G2024-K2027 VanDerWaalsContact O-N 3.12Å; G2024-L2028 PolarHBondContact O-N 2.94Å |
| 2025 | V | 77 | Confident | 69.8 | Low | 4 Ų | 4 | 61.7 Ų | 61.7 | 2% | 0.024 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -51.5 | -41.3 | 175.2 | -177.6 | 0 | 0 | 0 | 0 | 112.6 | I1985 K2027 L2028 V2029 L2054 L2118 M2122 | I1985-V2025 HydrophobicContact CD1-CG1 4.3Å; V2025-K2027 VanDerWaalsContact C-N 3.29Å; V2025-K2027 PolarHBondContact O-N 3.46Å; V2025-L2028 PolarHBondContact O-N 2.91Å; V2025-V2029 HydrophobicContact CG1-CG2 4.1Å; V2025-V2029 WeakPolarHBondContact O-CG2 3.47Å; V2025-V2029 PolarHBondContact O-N 3.35Å; V2025-V2029 VanDerWaalsContact O-N 3.07Å; V2025-L2054 HydrophobicContact CG2-CD2 3.61Å; V2025-L2118 HydrophobicContact CB-CD1 4.34Å; V2025-M2122 HydrophobicContact CG1-SD 4.15Å |
| 2026 | P | 72.9 | Confident | 69.1 | Low | 53 Ų | 53 | 67.3 Ų | 67.3 | 34% | 0.344 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -57.7 | -39.2 | 177.8 | -26.3 | 35.7 | 0 | 0 | 0 | 113.4 | G2024 K2030 L2118 M2122 | G2024-P2026 VanDerWaalsContact C-N 3.31Å; P2026-K2030 WeakPolarHBondContact O-CA 3.5Å; P2026-K2030 VanDerWaalsContact O-CB 3.27Å; P2026-K2030 WeakPolarHBondContact O-CB 3.47Å; P2026-K2030 PolarHBondContact O-N 3.31Å; P2026-L2118 HydrophobicContact CG-CD1 3.57Å; P2026-M2122 HydrophobicContact CB-CE 4.31Å; P2026-M2122 HydrophobicContact CG-CE 4.35Å |
| 2027 | K | 73.1 | Confident | 68.3 | Low | 128 Ų | 128 | 70.2 Ų | 70.2 | 56% | 0.557 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -71.4 | -40 | 178.6 | -167.9 | -171.7 | -176.3 | -179.9 | 0 | 112.3 | S2022 G2023 G2024 V2025 V2029 | S2022-K2027 WeakPolarHBondContact O-CD 3.33Å; G2023-K2027 WeakPolarHBondContact O-CB 3.28Å; G2023-K2027 PolarHBondContact O-N 2.85Å; G2024-K2027 PolarHBondContact O-N 3.49Å; G2024-K2027 VanDerWaalsContact O-N 3.12Å; V2025-K2027 VanDerWaalsContact C-N 3.29Å; V2025-K2027 PolarHBondContact O-N 3.46Å; K2027-V2029 PolarHBondContact O-N 3.35Å |
| 2028 | L | 73.2 | Confident | 67.6 | Low | 55 Ų | 55 | 74.3 Ų | 74.3 | 29% | 0.288 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60.6 | -36.5 | 177.3 | -70.5 | 171.6 | 0 | 0 | 0 | 111.7 | Q1984 I1988 G2024 V2025 | Q1984-L2028 HydrophobicContact CB-CD1 4.3Å; Q1984-L2028 HydrophobicContact CB-CD2 4.32Å; Q1984-L2028 HydrophobicContact CG-CD2 4.41Å; I1988-L2028 HydrophobicContact CD1-CD1 4.09Å; G2024-L2028 PolarHBondContact O-N 2.94Å; V2025-L2028 PolarHBondContact O-N 2.91Å |
| 2029 | V | 77.3 | Confident | 67 | Low | 0 Ų | 0 | 80.7 Ų | 80.7 | 0% | 0 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -92.6 | -26.8 | -175.4 | -177 | 0 | 0 | 0 | 0 | 111.9 | I1985 V2025 K2027 D2031 V2032 V2051 M2122 K2125 F2126 | I1985-V2029 HydrophobicContact CD1-CG2 3.9Å; V2025-V2029 HydrophobicContact CG1-CG2 4.1Å; V2025-V2029 WeakPolarHBondContact O-CG2 3.47Å; V2025-V2029 PolarHBondContact O-N 3.35Å; V2025-V2029 VanDerWaalsContact O-N 3.07Å; K2027-V2029 PolarHBondContact O-N 3.35Å; V2029-D2031 VanDerWaalsContact C-N 3.28Å; V2029-D2031 PolarHBondContact O-N 3.35Å; V2029-V2032 WeakPolarHBondContact O-CB 3.28Å; V2029-V2032 PolarHBondContact O-N 2.85Å; V2029-V2051 HydrophobicContact CG2-CG2 4.39Å; V2029-M2122 HydrophobicContact CG2-SD 4.46Å; V2029-K2125 HydrophobicContact CG1-CD 3.68Å; V2029-K2125 PolarHBondContact O-NZ 2.81Å; V2029-F2126 HydrophobicContact CG1-CE1 4.47Å; V2029-F2126 HydrophobicContact CG1-CE2 3.63Å; V2029-F2126 HydrophobicContact CG1-CZ 3.39Å; V2029-F2126 HydrophobicContact CG2-CZ 4.46Å |
| 2030 | K | 71.2 | Confident | 67 | Low | 154 Ų | 154 | 82.9 Ų | 82.9 | 67% | 0.67 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -45.9 | -47.2 | -170.4 | -170.3 | 177 | 179.2 | -175.5 | 0 | 113.9 | P2026 K2125 | P2026-K2030 WeakPolarHBondContact O-CA 3.5Å; P2026-K2030 VanDerWaalsContact O-CB 3.27Å; P2026-K2030 WeakPolarHBondContact O-CB 3.47Å; P2026-K2030 PolarHBondContact O-N 3.31Å; K2030-K2125 PolarHBondContact O-NZ 2.94Å |
| 2031 | D | 66.6 | Low | 67.8 | Low | 76 Ų | 76 | 82.2 Ų | 82.2 | 41% | 0.406 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -7.1 | -172.4 | -59.2 | -30.5 | 0 | 0 | 0 | 113.8 | R1942 Q1977 V2029 | R1942-D2031 PolarHBondContact NH2-O 2.84Å; R1942-D2031 VanDerWaalsContact NH2-O 3.11Å; Q1977-D2031 PolarHBondContact OE1-O 3.03Å; V2029-D2031 VanDerWaalsContact C-N 3.28Å; V2029-D2031 PolarHBondContact O-N 3.35Å |
| 2032 | V | 73.7 | Confident | 69 | Low | 3 Ų | 3 | 82.4 Ų | 82.4 | 2% | 0.018 | 42% | 0.423 | C | S | . | . | trans | -80 | 120.8 | 177.4 | -171.1 | 0 | 0 | 0 | 0 | 109.9 | T1978 A1981 V2029 F2044 L2047 K2125 | T1978-V2032 HydrophobicContact CG2-CG1 4.16Å; A1981-V2032 HydrophobicContact CB-CG2 3.98Å; V2029-V2032 WeakPolarHBondContact O-CB 3.28Å; V2029-V2032 PolarHBondContact O-N 2.85Å; V2032-F2044 HydrophobicContact CG1-CD2 3.84Å; V2032-F2044 HydrophobicContact CG1-CE2 3.9Å; V2032-L2047 HydrophobicContact CB-CD2 4.46Å; V2032-L2047 HydrophobicContact CG1-CD2 3.93Å; V2032-L2047 HydrophobicContact CG2-CD2 4.38Å; V2032-K2125 VanDerWaalsContact O-CE 3.3Å; V2032-K2125 WeakPolarHBondContact O-CE 3.35Å; V2032-K2125 PolarHBondContact O-NZ 3.42Å | ||
| 2033 | E | 68.9 | Low | 70 | Confident | 118 Ų | 118 | 80 Ų | 80 | 55% | 0.551 | 41% | 0.406 | S | S | * | . | trans | -122.4 | 151.9 | 174.5 | -82.6 | 175.8 | -150.6 | 0 | 0 | 110.9 | R1942 | R1942-E2033 IonicContact CZ-OE1 2.73Å; R1942-E2033 IonicContact CZ-OE2 3.36Å; R1942-E2033 IonicContact NH1-OE1 3.48Å; R1942-E2033 PolarHBondContact NH1-OE1 3.14Å; R1942-E2033 IonicContact NH1-OE2 3.58Å; R1942-E2033 PolarHBondContact NH1-OE2 3.39Å; R1942-E2033 IonicContact NH2-OE1 3.47Å; R1942-E2033 PolarHBondContact NH2-OE1 2.79Å; R1942-E2033 IonicContact NH2-OE2 3.79Å | ||
| 2034 | L | 64.7 | Low | 70.9 | Confident | 115 Ų | 115 | 79.1 Ų | 79.1 | 60% | 0.602 | 39% | 0.392 | S | S | * | . | trans | -63.9 | 133 | 171.1 | -84.9 | 124.7 | 0 | 0 | 0 | 109.5 | F2044 | L2034-F2044 HydrophobicContact CD1-CD1 4.02Å; L2034-F2044 HydrophobicContact CD1-CE1 3.42Å; L2034-F2044 VanDerWaalsContact CD1-CE1 3.42Å; L2034-F2044 HydrophobicContact CD1-CE2 4.29Å; L2034-F2044 HydrophobicContact CD1-CZ 3.57Å; L2034-F2044 HydrophobicContact CD2-CD1 3.86Å; L2034-F2044 HydrophobicContact CD2-CE1 4.13Å; L2034-F2044 HydrophobicContact CD2-CG 4.31Å; L2034-F2044 HydrophobicContact CG-CD1 3.7Å; L2034-F2044 HydrophobicContact CG-CD2 4.19Å; L2034-F2044 HydrophobicContact CG-CE1 3.62Å; L2034-F2044 HydrophobicContact CG-CE2 4.11Å; L2034-F2044 HydrophobicContact CG-CG 4Å; L2034-F2044 HydrophobicContact CG-CZ 3.83Å | ||
| 2035 | S | 61.6 | Low | 71.5 | Confident | 51 Ų | 51 | 81.5 Ų | 81.5 | 36% | 0.357 | 41% | 0.408 | S | S | . | . | trans | -123.2 | 144.7 | 179.6 | 171.8 | 0 | 0 | 0 | 0 | 107.6 | D2037 Q2040 | S2035-D2037 PolarHBondContact O-N 3.28Å; S2035-Q2040 PolarHBondContact OG-OE1 2.91Å | ||
| 2036 | D | 62.6 | Low | 71.8 | Confident | 173 Ų | 173 | 85.3 Ų | 85.3 | 93% | 0.925 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -69.6 | 2.9 | -176.7 | -61.8 | -33.5 | 0 | 0 | 0 | 113.8 | P2038 | D2036-P2038 WeakPolarHBondContact O-CD 3.04Š|
| 2037 | D | 67.2 | Low | 72.5 | Confident | 67 Ų | 67 | 82.8 Ų | 82.8 | 36% | 0.358 | 41% | 0.409 | S | S | . | . | trans | -77.5 | 116.3 | 174 | -177 | -7.7 | 0 | 0 | 0 | 110.3 | S2035 R2039 Q2040 E2041 | S2035-D2037 PolarHBondContact O-N 3.28Å; D2037-R2039 PolarHBondContact O-N 3.34Å; D2037-R2039 PolarHBondContact OD1-N 2.72Å; D2037-R2039 VanDerWaalsContact OD1-N 3.12Å; D2037-Q2040 HydrophobicContact CB-CB 4.17Å; D2037-Q2040 HydrophobicContact CB-CG 4.06Å; D2037-Q2040 WeakPolarHBondContact O-CA 3.22Å; D2037-Q2040 WeakPolarHBondContact O-CB 3.42Å; D2037-Q2040 PolarHBondContact O-N 3.5Å; D2037-E2041 PolarHBondContact O-N 3.47Å | ||
| 2038 | P | 66.9 | Low | 73 | Confident | 95 Ų | 95 | 77.4 Ų | 77.4 | 62% | 0.617 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -59.6 | -24.1 | -176.4 | 23.2 | -34.4 | 0 | 0 | 0 | 113.5 | D2036 K2042 | D2036-P2038 WeakPolarHBondContact O-CD 3.04Å; P2038-K2042 PolarHBondContact O-N 2.92Å |
| 2039 | R | 63.8 | Low | 73.7 | Confident | 205 Ų | 205 | 79.8 Ų | 79.8 | 77% | 0.774 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -69.7 | -40.5 | 172.5 | -69.9 | -177.9 | 175.3 | -177.3 | -0.4 | 111.6 | D2037 C2043 | D2037-R2039 PolarHBondContact O-N 3.34Å; D2037-R2039 PolarHBondContact OD1-N 2.72Å; D2037-R2039 VanDerWaalsContact OD1-N 3.12Å; R2039-C2043 PolarHBondContact O-N 3.38Å; R2039-C2043 PolarHBondContact O-SG 3.01Å |
| 2040 | Q | 69.6 | Low | 74.2 | Confident | 64 Ų | 64 | 80.1 Ų | 80.1 | 30% | 0.299 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -73.1 | -33.2 | 178 | -66.1 | -174.3 | -4.8 | 0 | 0 | 111.7 | S2035 D2037 C2043 F2044 | S2035-Q2040 PolarHBondContact OG-OE1 2.91Å; D2037-Q2040 HydrophobicContact CB-CB 4.17Å; D2037-Q2040 HydrophobicContact CB-CG 4.06Å; D2037-Q2040 WeakPolarHBondContact O-CA 3.22Å; D2037-Q2040 WeakPolarHBondContact O-CB 3.42Å; D2037-Q2040 PolarHBondContact O-N 3.5Å; Q2040-C2043 PolarHBondContact O-N 3.2Å; Q2040-F2044 WeakPolarHBondContact O-CB 3.21Å; Q2040-F2044 PolarHBondContact O-N 3.06Å |
| 2041 | E | 72.3 | Confident | 75 | Confident | 107 Ų | 107 | 72.9 Ų | 72.9 | 50% | 0.5 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.6 | -48.2 | 173.2 | -170.3 | -179.9 | -173.6 | 0 | 0 | 111.4 | D2037 C2043 F2044 S2045 | D2037-E2041 PolarHBondContact O-N 3.47Å; E2041-C2043 VanDerWaalsContact C-N 3.33Å; E2041-C2043 PolarHBondContact O-N 3.28Å; E2041-F2044 WeakPolarHBondContact O-CB 3.43Å; E2041-F2044 PolarHBondContact O-N 2.93Å; E2041-F2044 VanDerWaalsContact O-N 3.08Å; E2041-S2045 PolarHBondContact O-N 3.12Å; E2041-S2045 PolarHBondContact O-OG 3.32Å |
| 2042 | K | 78 | Confident | 76.1 | Confident | 145 Ų | 145 | 71.1 Ų | 71.1 | 63% | 0.63 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -59.1 | -43.1 | 175.1 | -174 | 178.2 | 179.5 | 179.8 | 0 | 112.2 | P2038 F2044 S2045 Q2046 | P2038-K2042 PolarHBondContact O-N 2.92Å; K2042-F2044 VanDerWaalsContact C-N 3.32Å; K2042-S2045 PolarHBondContact O-N 2.91Å; K2042-Q2046 WeakPolarHBondContact O-CG 3.44Å; K2042-Q2046 PolarHBondContact O-N 3.08Å |
| 2043 | C | 78.5 | Confident | 76.9 | Confident | 23 Ų | 23 | 75.9 Ų | 75.9 | 16% | 0.155 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -65.7 | -34.9 | 175.6 | -71.5 | 0 | 0 | 0 | 0 | 112.3 | T1978 R2039 Q2040 E2041 Q2046 L2047 | T1978-C2043 VanDerWaalsContact CG2-C 3.5Å; T1978-C2043 HydrophobicContact CG2-CB 3.87Å; R2039-C2043 PolarHBondContact O-N 3.38Å; R2039-C2043 PolarHBondContact O-SG 3.01Å; Q2040-C2043 PolarHBondContact O-N 3.2Å; E2041-C2043 VanDerWaalsContact C-N 3.33Å; E2041-C2043 PolarHBondContact O-N 3.28Å; C2043-Q2046 PolarHBondContact O-N 3.33Å; C2043-L2047 WeakPolarHBondContact O-CB 3.21Å; C2043-L2047 PolarHBondContact O-N 2.83Å |
| 2044 | F | 81.2 | Confident | 77.9 | Confident | 17 Ų | 17 | 70.3 Ų | 70.3 | 8% | 0.075 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -69.2 | -40.2 | 177.9 | -171.6 | -86.9 | 0 | 0 | 0 | 111.2 | T1978 V2032 L2034 Q2040 E2041 K2042 L2047 A2048 F2126 | T1978-F2044 HydrophobicContact CG2-CB 4.09Å; T1978-F2044 HydrophobicContact CG2-CD2 4.42Å; V2032-F2044 HydrophobicContact CG1-CD2 3.84Å; V2032-F2044 HydrophobicContact CG1-CE2 3.9Å; L2034-F2044 HydrophobicContact CD1-CD1 4.02Å; L2034-F2044 HydrophobicContact CD1-CE1 3.42Å; L2034-F2044 VanDerWaalsContact CD1-CE1 3.42Å; L2034-F2044 HydrophobicContact CD1-CE2 4.29Å; L2034-F2044 HydrophobicContact CD1-CZ 3.57Å; L2034-F2044 HydrophobicContact CD2-CD1 3.86Å; L2034-F2044 HydrophobicContact CD2-CE1 4.13Å; L2034-F2044 HydrophobicContact CD2-CG 4.31Å; L2034-F2044 HydrophobicContact CG-CD1 3.7Å; L2034-F2044 HydrophobicContact CG-CD2 4.19Å; L2034-F2044 HydrophobicContact CG-CE1 3.62Å; L2034-F2044 HydrophobicContact CG-CE2 4.11Å; L2034-F2044 HydrophobicContact CG-CG 4Å; L2034-F2044 HydrophobicContact CG-CZ 3.83Å; Q2040-F2044 WeakPolarHBondContact O-CB 3.21Å; Q2040-F2044 PolarHBondContact O-N 3.06Å; E2041-F2044 WeakPolarHBondContact O-CB 3.43Å; E2041-F2044 PolarHBondContact O-N 2.93Å; E2041-F2044 VanDerWaalsContact O-N 3.08Å; K2042-F2044 VanDerWaalsContact C-N 3.32Å; F2044-L2047 WeakPolarHBondContact O-CB 3.35Å; F2044-L2047 PolarHBondContact O-N 2.71Å; F2044-A2048 PolarHBondContact O-N 3.2Å; F2044-F2126 AromaticContact CE1-CD1 3.7Å; F2044-F2126 HydrophobicContact CE1-CD1 3.7Å; F2044-F2126 AromaticContact CE1-CE1 3.91Å; F2044-F2126 HydrophobicContact CE1-CE1 3.91Å; F2044-F2126 HydrophobicContact CE2-CE1 4.05Å; F2044-F2126 AromaticContact CZ-CD1 3.69Å; F2044-F2126 HydrophobicContact CZ-CD1 3.69Å; F2044-F2126 AromaticContact CZ-CE1 3.59Å; F2044-F2126 HydrophobicContact CZ-CE1 3.59Å |
| 2045 | S | 81.3 | Confident | 79.1 | Confident | 59 Ų | 59 | 65 Ų | 65 | 41% | 0.413 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.8 | -44.9 | 172.7 | -57.6 | 0 | 0 | 0 | 0 | 111.8 | E2041 K2042 L2047 A2048 D2049 | E2041-S2045 PolarHBondContact O-N 3.12Å; E2041-S2045 PolarHBondContact O-OG 3.32Å; K2042-S2045 PolarHBondContact O-N 2.91Å; S2045-L2047 VanDerWaalsContact C-N 3.27Å; S2045-L2047 PolarHBondContact O-N 3.4Å; S2045-A2048 WeakPolarHBondContact O-CB 3.34Å; S2045-A2048 PolarHBondContact O-N 3.22Å; S2045-A2048 VanDerWaalsContact O-N 3.11Å; S2045-D2049 PolarHBondContact O-N 3.09Å |
| 2046 | Q | 83.3 | Confident | 80.5 | Confident | 84 Ų | 84 | 66.6 Ų | 66.6 | 39% | 0.393 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.9 | -35.7 | 174.8 | -72.8 | 176.3 | -16.1 | 0 | 0 | 113 | K2042 C2043 S2050 | K2042-Q2046 WeakPolarHBondContact O-CG 3.44Å; K2042-Q2046 PolarHBondContact O-N 3.08Å; C2043-Q2046 PolarHBondContact O-N 3.33Å; Q2046-S2050 WeakPolarHBondContact O-CB 3.41Å; Q2046-S2050 PolarHBondContact O-N 2.82Å; Q2046-S2050 PolarHBondContact O-OG 3.1Å |
| 2047 | L | 86.6 | Confident | 81.8 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.9 | -44.1 | 173.6 | 176.6 | 67.3 | 0 | 0 | 0 | 111 | T1978 A1981 N1982 I1985 V2032 C2043 F2044 S2045 D2049 S2050 V2051 F2126 | T1978-L2047 HydrophobicContact CG2-CB 4.35Å; T1978-L2047 HydrophobicContact CG2-CD2 4.13Å; A1981-L2047 HydrophobicContact CB-CD1 3.94Å; A1981-L2047 HydrophobicContact CB-CD2 4.12Å; N1982-L2047 HydrophobicContact CB-CB 4.36Å; N1982-L2047 HydrophobicContact CB-CD1 4.03Å; I1985-L2047 HydrophobicContact CD1-CD1 3.72Å; V2032-L2047 HydrophobicContact CB-CD2 4.46Å; V2032-L2047 HydrophobicContact CG1-CD2 3.93Å; V2032-L2047 HydrophobicContact CG2-CD2 4.38Å; C2043-L2047 WeakPolarHBondContact O-CB 3.21Å; C2043-L2047 PolarHBondContact O-N 2.83Å; F2044-L2047 WeakPolarHBondContact O-CB 3.35Å; F2044-L2047 PolarHBondContact O-N 2.71Å; S2045-L2047 VanDerWaalsContact C-N 3.27Å; S2045-L2047 PolarHBondContact O-N 3.4Å; L2047-D2049 VanDerWaalsContact C-N 3.34Å; L2047-S2050 PolarHBondContact O-N 2.95Å; L2047-V2051 HydrophobicContact CD1-CG2 4.41Å; L2047-V2051 WeakPolarHBondContact O-CG2 3.43Å; L2047-V2051 PolarHBondContact O-N 2.92Å; L2047-F2126 HydrophobicContact CD2-CE1 4.31Å; L2047-F2126 HydrophobicContact CD2-CZ 4.16Å; L2047-F2126 HydrophobicContact CG-CE1 4.34Å; L2047-F2126 HydrophobicContact CG-CZ 4.14Å |
| 2048 | A | 85.2 | Confident | 82.9 | Confident | 14 Ų | 14 | 56.1 Ų | 56.1 | 12% | 0.116 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.7 | -43.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | F2044 S2045 V2051 L2052 F2126 | F2044-A2048 PolarHBondContact O-N 3.2Å; S2045-A2048 WeakPolarHBondContact O-CB 3.34Å; S2045-A2048 PolarHBondContact O-N 3.22Å; S2045-A2048 VanDerWaalsContact O-N 3.11Å; A2048-V2051 PolarHBondContact O-N 3.12Å; A2048-L2052 PolarHBondContact O-N 2.96Å; A2048-F2126 HydrophobicContact CB-CB 4.22Å; A2048-F2126 HydrophobicContact CB-CD1 3.56Å; A2048-F2126 HydrophobicContact CB-CE1 4.07Å; A2048-F2126 HydrophobicContact CB-CG 4.04Å |
| 2049 | D | 86.5 | Confident | 84 | Confident | 106 Ų | 106 | 51.9 Ų | 51.9 | 57% | 0.567 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -61.5 | -45 | 175.9 | -66.5 | -23.2 | 0 | 0 | 0 | 111.4 | S2045 L2047 V2051 L2052 E2053 | S2045-D2049 PolarHBondContact O-N 3.09Å; L2047-D2049 VanDerWaalsContact C-N 3.34Å; D2049-V2051 PolarHBondContact O-N 3.31Å; D2049-L2052 WeakPolarHBondContact O-CB 3.35Å; D2049-L2052 PolarHBondContact O-N 3.36Å; D2049-E2053 PolarHBondContact O-N 3.35Å |
| 2050 | S | 88.7 | Confident | 85.2 | Confident | 7 Ų | 7 | 45.2 Ų | 45.2 | 5% | 0.049 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.4 | -37.7 | 178.4 | -55.9 | 0 | 0 | 0 | 0 | 111.8 | N1982 I1989 Q2046 L2047 L2052 E2053 L2054 | N1982-S2050 PolarHBondContact OD1-OG 3.08Å; I1989-S2050 WeakPolarHBondContact CD1-O 3.48Å; Q2046-S2050 WeakPolarHBondContact O-CB 3.41Å; Q2046-S2050 PolarHBondContact O-N 2.82Å; Q2046-S2050 PolarHBondContact O-OG 3.1Å; L2047-S2050 PolarHBondContact O-N 2.95Å; S2050-L2052 VanDerWaalsContact C-N 3.33Å; S2050-E2053 PolarHBondContact O-N 3.03Å; S2050-L2054 WeakPolarHBondContact O-CB 3.44Å; S2050-L2054 PolarHBondContact O-N 3.21Å |
| 2051 | V | 88.9 | Confident | 86.1 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.8 | -42.7 | 174 | 171.2 | 0 | 0 | 0 | 0 | 110.6 | I1985 V2029 L2047 A2048 D2049 L2054 L2055 M2122 F2126 F2128 | I1985-V2051 HydrophobicContact CD1-CG2 3.42Å; I1985-V2051 VanDerWaalsContact CD1-CG2 3.42Å; V2029-V2051 HydrophobicContact CG2-CG2 4.39Å; L2047-V2051 HydrophobicContact CD1-CG2 4.41Å; L2047-V2051 WeakPolarHBondContact O-CG2 3.43Å; L2047-V2051 PolarHBondContact O-N 2.92Å; A2048-V2051 PolarHBondContact O-N 3.12Å; D2049-V2051 PolarHBondContact O-N 3.31Å; V2051-L2054 PolarHBondContact O-N 3.12Å; V2051-L2055 HydrophobicContact CG1-CD1 4.24Å; V2051-L2055 WeakPolarHBondContact O-CG 3.47Å; V2051-L2055 PolarHBondContact O-N 3.1Å; V2051-M2122 HydrophobicContact CG1-CB 4.15Å; V2051-M2122 HydrophobicContact CG1-CG 4.04Å; V2051-M2122 HydrophobicContact CG1-SD 4.17Å; V2051-F2126 HydrophobicContact CB-CE2 4.18Å; V2051-F2126 HydrophobicContact CG1-CD2 4.3Å; V2051-F2126 HydrophobicContact CG1-CE2 4.05Å; V2051-F2126 HydrophobicContact CG2-CE2 3.79Å; V2051-F2126 HydrophobicContact CG2-CZ 4.02Å; V2051-F2128 HydrophobicContact CG1-CE1 4.45Å; V2051-F2128 HydrophobicContact CG1-CZ 4.02Å |
| 2052 | L | 88.7 | Confident | 86.8 | Confident | 40 Ų | 40 | 37.3 Ų | 37.3 | 21% | 0.209 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.5 | -47.5 | 177.5 | -176.3 | 63.4 | 0 | 0 | 0 | 111.1 | A2048 D2049 S2050 L2054 L2055 E2056 F2128 L2133 | A2048-L2052 PolarHBondContact O-N 2.96Å; D2049-L2052 WeakPolarHBondContact O-CB 3.35Å; D2049-L2052 PolarHBondContact O-N 3.36Å; S2050-L2052 VanDerWaalsContact C-N 3.33Å; L2052-L2054 VanDerWaalsContact C-N 3.3Å; L2052-L2054 PolarHBondContact O-N 3.04Å; L2052-L2055 PolarHBondContact O-N 3.37Å; L2052-L2055 VanDerWaalsContact O-N 3.1Å; L2052-E2056 WeakPolarHBondContact O-CG 3.24Å; L2052-E2056 PolarHBondContact O-N 2.92Å; L2052-F2128 HydrophobicContact CD1-CD2 4.07Å; L2052-F2128 HydrophobicContact CD1-CE2 4.43Å; L2052-F2128 HydrophobicContact CD1-CG 4.25Å; L2052-L2133 HydrophobicContact CD1-CD1 3.9Å |
| 2053 | E | 89.5 | Confident | 87.3 | Confident | 103 Ų | 103 | 34.4 Ų | 34.4 | 48% | 0.481 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -56.9 | -43.2 | 175.3 | -177.7 | -178.5 | -178.6 | 0 | 0 | 111.7 | I1989 D2049 S2050 L2055 E2056 L2057 | I1989-E2053 HydrophobicContact CD1-CB 4.21Å; I1989-E2053 HydrophobicContact CD1-CG 4.24Å; I1989-E2053 HydrophobicContact CG2-CG 4.24Å; D2049-E2053 PolarHBondContact O-N 3.35Å; S2050-E2053 PolarHBondContact O-N 3.03Å; E2053-L2055 PolarHBondContact O-N 2.87Å; E2053-E2056 PolarHBondContact O-N 2.85Å; E2053-L2057 VanDerWaalsContact O-CB 3.32Å; E2053-L2057 WeakPolarHBondContact O-CB 3.45Å; E2053-L2057 PolarHBondContact O-N 3Å |
| 2054 | L | 90.9 | Very high | 87.5 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.5 | -44 | 175.4 | 177.9 | 59.6 | 0 | 0 | 0 | 111.9 | I1985 I1988 I1989 L1992 V2025 S2050 V2051 L2052 L2057 Q2058 | I1985-L2054 HydrophobicContact CG2-CB 4.4Å; I1985-L2054 HydrophobicContact CG2-CD2 4.16Å; I1988-L2054 HydrophobicContact CG2-CD1 3.74Å; I1988-L2054 HydrophobicContact CG2-CD2 4.23Å; I1989-L2054 HydrophobicContact CD1-CB 4.17Å; I1989-L2054 HydrophobicContact CG1-CB 3.75Å; I1989-L2054 HydrophobicContact CG1-CD1 4.03Å; I1989-L2054 HydrophobicContact CG1-CG 4.42Å; L1992-L2054 HydrophobicContact CD1-CD1 3.55Å; V2025-L2054 HydrophobicContact CG2-CD2 3.61Å; S2050-L2054 WeakPolarHBondContact O-CB 3.44Å; S2050-L2054 PolarHBondContact O-N 3.21Å; V2051-L2054 PolarHBondContact O-N 3.12Å; L2052-L2054 VanDerWaalsContact C-N 3.3Å; L2052-L2054 PolarHBondContact O-N 3.04Å; L2054-L2057 PolarHBondContact O-N 3.39Å; L2054-Q2058 HydrophobicContact CD1-CG 4.19Å; L2054-Q2058 HydrophobicContact CG-CG 4.47Å; L2054-Q2058 WeakPolarHBondContact O-CB 3.34Å; L2054-Q2058 VanDerWaalsContact O-CG 3.24Å; L2054-Q2058 WeakPolarHBondContact O-CG 3.48Å; L2054-Q2058 PolarHBondContact O-N 3.43Å |
| 2055 | L | 90.4 | Very high | 87.8 | Confident | 3 Ų | 3 | 34.4 Ų | 34.4 | 2% | 0.016 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.2 | -41.9 | 178.9 | -69 | 172.7 | 0 | 0 | 0 | 111.6 | V2051 L2052 E2053 L2057 Q2058 L2059 Y2115 L2118 V2119 M2122 F2128 L2133 | V2051-L2055 HydrophobicContact CG1-CD1 4.24Å; V2051-L2055 WeakPolarHBondContact O-CG 3.47Å; V2051-L2055 PolarHBondContact O-N 3.1Å; L2052-L2055 PolarHBondContact O-N 3.37Å; L2052-L2055 VanDerWaalsContact O-N 3.1Å; E2053-L2055 PolarHBondContact O-N 2.87Å; L2055-L2057 VanDerWaalsContact C-N 3.34Å; L2055-Q2058 PolarHBondContact O-N 2.88Å; L2055-L2059 PolarHBondContact O-N 3.38Å; L2055-Y2115 HydrophobicContact CB-CE2 4.42Å; L2055-Y2115 HydrophobicContact CD2-CE2 3.94Å; L2055-Y2115 WeakPolarHBondContact O-CE2 3.49Å; L2055-Y2115 PolarHBondContact O-OH 3.47Å; L2055-L2118 HydrophobicContact CD2-CD2 3.86Å; L2055-L2118 HydrophobicContact CD2-CG 4Å; L2055-V2119 HydrophobicContact CD1-CG2 4.33Å; L2055-V2119 HydrophobicContact CD2-CG2 3.92Å; L2055-M2122 HydrophobicContact CD1-CB 4.16Å; L2055-F2128 HydrophobicContact CD1-CE2 3.95Å; L2055-F2128 HydrophobicContact CD1-CZ 4.16Å; L2055-L2133 HydrophobicContact CB-CD1 4.17Å; L2055-L2133 HydrophobicContact CB-CD2 4.25Å; L2055-L2133 HydrophobicContact CD1-CD1 4.14Å |
| 2056 | E | 90.7 | Very high | 87.9 | Confident | 85 Ų | 85 | 34.1 Ų | 34.1 | 40% | 0.397 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -62.7 | -41.8 | 175.4 | -71 | -176.5 | 154.3 | 0 | 0 | 111.7 | L2052 E2053 L2059 T2060 H2132 L2133 | L2052-E2056 WeakPolarHBondContact O-CG 3.24Å; L2052-E2056 PolarHBondContact O-N 2.92Å; E2053-E2056 PolarHBondContact O-N 2.85Å; E2056-L2059 PolarHBondContact O-N 3.04Å; E2056-T2060 WeakPolarHBondContact O-CB 3.43Å; E2056-T2060 PolarHBondContact O-N 3.5Å; E2056-T2060 PolarHBondContact O-OG1 3.37Å; E2056-H2132 IonicContact OE1-CD2 3.48Å; E2056-H2132 PolarHBondContact OE1-CD2 3.28Å; E2056-H2132 IonicContact OE1-NE2 2.61Å; E2056-H2132 PolarHBondContact OE1-NE2 3.44Å; E2056-L2133 HydrophobicContact CB-CD2 4.45Å; E2056-L2133 HydrophobicContact CG-CD2 3.67Å |
| 2057 | L | 89 | Confident | 87.7 | Confident | 18 Ų | 18 | 35.4 Ų | 35.4 | 9% | 0.094 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.7 | -43.9 | 177.2 | -175.9 | 64 | 0 | 0 | 0 | 111.6 | I1989 L1992 H1993 L1996 E2053 L2054 L2055 T2060 F2061 | I1989-L2057 HydrophobicContact CG2-CD2 4.12Å; I1989-L2057 WeakPolarHBondContact O-CD2 3.37Å; L1992-L2057 HydrophobicContact CB-CD2 3.7Å; L1992-L2057 HydrophobicContact CB-CG 4.39Å; H1993-L2057 HydrophobicContact CB-CD1 4.44Å; H1993-L2057 HydrophobicContact CB-CD2 3.99Å; L1996-L2057 HydrophobicContact CD2-CD1 3.92Å; E2053-L2057 VanDerWaalsContact O-CB 3.32Å; E2053-L2057 WeakPolarHBondContact O-CB 3.45Å; E2053-L2057 PolarHBondContact O-N 3Å; L2054-L2057 PolarHBondContact O-N 3.39Å; L2055-L2057 VanDerWaalsContact C-N 3.34Å; L2057-T2060 WeakPolarHBondContact O-CB 2.98Å; L2057-T2060 PolarHBondContact O-N 3.37Å; L2057-F2061 PolarHBondContact O-N 2.99Å |
| 2058 | Q | 90.3 | Very high | 87.4 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.7 | -44.7 | 174.3 | -76.8 | 173.4 | -16.2 | 0 | 0 | 111.7 | L1992 L2013 S2016 I2017 L2054 L2055 T2060 F2061 L2062 Y2115 | L1992-Q2058 HydrophobicContact CD1-CG 4.2Å; L2013-Q2058 HydrophobicContact CD1-CB 4.31Å; L2013-Q2058 HydrophobicContact CD1-CG 4.13Å; S2016-Q2058 VanDerWaalsContact C-NE2 3.35Å; S2016-Q2058 PolarHBondContact O-NE2 2.88Å; S2016-Q2058 PolarHBondContact OG-NE2 3.44Å; I2017-Q2058 HydrophobicContact CG1-CG 4.28Å; L2054-Q2058 HydrophobicContact CD1-CG 4.19Å; L2054-Q2058 HydrophobicContact CG-CG 4.47Å; L2054-Q2058 WeakPolarHBondContact O-CB 3.34Å; L2054-Q2058 VanDerWaalsContact O-CG 3.24Å; L2054-Q2058 WeakPolarHBondContact O-CG 3.48Å; L2054-Q2058 PolarHBondContact O-N 3.43Å; L2055-Q2058 PolarHBondContact O-N 2.88Å; Q2058-T2060 VanDerWaalsContact C-N 3.33Å; Q2058-T2060 PolarHBondContact O-N 3.28Å; Q2058-F2061 PolarHBondContact O-N 3.26Å; Q2058-L2062 WeakPolarHBondContact O-CB 3.34Å; Q2058-L2062 WeakPolarHBondContact O-CG 3.38Å; Q2058-L2062 PolarHBondContact O-N 2.72Å; Q2058-Y2115 HydrophobicContact CB-CD2 4.12Å; Q2058-Y2115 HydrophobicContact CB-CE2 3.74Å |
| 2059 | L | 91.3 | Very high | 87.1 | Confident | 7 Ų | 7 | 42 Ų | 42 | 4% | 0.037 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.6 | -42.3 | 175.1 | 179.6 | 59.4 | 0 | 0 | 0 | 111.7 | L2055 E2056 F2061 L2062 K2063 Y2115 A2135 L2138 | L2055-L2059 PolarHBondContact O-N 3.38Å; E2056-L2059 PolarHBondContact O-N 3.04Å; L2059-F2061 VanDerWaalsContact C-N 3.29Å; L2059-F2061 PolarHBondContact O-N 3.23Å; L2059-L2062 PolarHBondContact O-N 3.46Å; L2059-K2063 HydrophobicContact CD1-CG 4.46Å; L2059-K2063 HydrophobicContact CG-CD 4.36Å; L2059-K2063 WeakPolarHBondContact O-CB 3.37Å; L2059-K2063 WeakPolarHBondContact O-CG 3.19Å; L2059-K2063 PolarHBondContact O-N 3.47Å; L2059-Y2115 HydrophobicContact CB-CE1 4.28Å; L2059-Y2115 WeakPolarHBondContact CB-OH 3.32Å; L2059-Y2115 HydrophobicContact CD1-CE1 4.22Å; L2059-A2135 HydrophobicContact CD1-CB 3.86Å; L2059-L2138 HydrophobicContact CD1-CD1 4.08Å |
| 2060 | T | 88.2 | Confident | 86.7 | Confident | 64 Ų | 64 | 40 Ų | 40 | 39% | 0.393 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61.6 | -40.4 | 176.9 | -57.5 | 0 | 0 | 0 | 0 | 111.1 | L1996 E2056 L2057 Q2058 K2063 F2064 | L1996-T2060 HydrophobicContact CD2-CG2 4.06Å; E2056-T2060 WeakPolarHBondContact O-CB 3.43Å; E2056-T2060 PolarHBondContact O-N 3.5Å; E2056-T2060 PolarHBondContact O-OG1 3.37Å; L2057-T2060 WeakPolarHBondContact O-CB 2.98Å; L2057-T2060 PolarHBondContact O-N 3.37Å; Q2058-T2060 VanDerWaalsContact C-N 3.33Å; Q2058-T2060 PolarHBondContact O-N 3.28Å; T2060-K2063 PolarHBondContact O-N 2.98Å; T2060-F2064 PolarHBondContact O-N 2.86Å |
| 2061 | F | 88.5 | Confident | 85.9 | Confident | 5 Ų | 5 | 40.5 Ų | 40.5 | 2% | 0.022 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -71.1 | -37.8 | 176.8 | -149.8 | 170.5 | 0 | 0 | 0 | 112.2 | L1992 D1995 L1996 A1999 L2013 L2057 Q2058 L2059 F2064 W2065 | L1992-F2061 HydrophobicContact CD2-CD1 4.16Å; L1992-F2061 HydrophobicContact CD2-CE1 4.26Å; D1995-F2061 HydrophobicContact CB-CE1 4.14Å; D1995-F2061 HydrophobicContact CB-CZ 4.36Å; L1996-F2061 HydrophobicContact CB-CD1 4.38Å; L1996-F2061 HydrophobicContact CB-CE1 4.33Å; L1996-F2061 HydrophobicContact CB-CE2 4.44Å; L1996-F2061 HydrophobicContact CB-CG 4.47Å; L1996-F2061 HydrophobicContact CB-CZ 4.34Å; L1996-F2061 HydrophobicContact CD1-CB 4.22Å; L1996-F2061 HydrophobicContact CD1-CD2 3.39Å; L1996-F2061 HydrophobicContact CD1-CE2 3.74Å; L1996-F2061 HydrophobicContact CD1-CG 3.83Å; L1996-F2061 HydrophobicContact CD1-CZ 4.46Å; A1999-F2061 HydrophobicContact CB-CE2 4.31Å; A1999-F2061 HydrophobicContact CB-CZ 4.42Å; L2013-F2061 HydrophobicContact CB-CD1 4.15Å; L2013-F2061 HydrophobicContact CB-CE1 4.4Å; L2013-F2061 HydrophobicContact CD1-CB 4Å; L2013-F2061 HydrophobicContact CD1-CD1 3.99Å; L2013-F2061 HydrophobicContact CD1-CG 4.28Å; L2013-F2061 HydrophobicContact CD2-CB 4.03Å; L2013-F2061 HydrophobicContact CD2-CD1 4.13Å; L2013-F2061 HydrophobicContact CD2-CD2 4.46Å; L2013-F2061 HydrophobicContact CD2-CG 3.93Å; L2013-F2061 HydrophobicContact CG-CD1 4.31Å; L2057-F2061 PolarHBondContact O-N 2.99Å; Q2058-F2061 PolarHBondContact O-N 3.26Å; L2059-F2061 VanDerWaalsContact C-N 3.29Å; L2059-F2061 PolarHBondContact O-N 3.23Å; F2061-F2064 HydrophobicContact CD2-CB 4.46Å; F2061-F2064 HydrophobicContact CD2-CD1 4Å; F2061-F2064 AromaticContact CE2-CD1 3.93Å; F2061-F2064 HydrophobicContact CE2-CD1 3.93Å; F2061-F2064 HydrophobicContact CE2-CE1 4.42Å; F2061-F2064 WeakPolarHBondContact O-CB 3.33Å; F2061-F2064 PolarHBondContact O-N 2.85Å; F2061-W2065 PolarHBondContact O-N 2.79Å |
| 2062 | L | 88.1 | Confident | 84.9 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.1 | -40.8 | 172.7 | -75.5 | 170.5 | 0 | 0 | 0 | 112.1 | L2013 I2017 Q2058 L2059 F2064 W2065 Y2066 L2108 M2111 Y2115 L2138 | L2013-L2062 HydrophobicContact CD2-CD2 4.19Å; L2013-L2062 HydrophobicContact CD2-CG 4.42Å; I2017-L2062 HydrophobicContact CD1-CD1 4.03Å; I2017-L2062 HydrophobicContact CD1-CD2 4.16Å; I2017-L2062 HydrophobicContact CD1-CG 4.23Å; Q2058-L2062 WeakPolarHBondContact O-CB 3.34Å; Q2058-L2062 WeakPolarHBondContact O-CG 3.38Å; Q2058-L2062 PolarHBondContact O-N 2.72Å; L2059-L2062 PolarHBondContact O-N 3.46Å; L2062-F2064 VanDerWaalsContact C-N 3.33Å; L2062-F2064 PolarHBondContact O-N 3.26Å; L2062-W2065 HydrophobicContact CD2-CE3 4.12Å; L2062-W2065 HydrophobicContact CD2-CZ3 4.49Å; L2062-W2065 PolarHBondContact O-N 2.92Å; L2062-Y2066 WeakPolarHBondContact O-CB 3.39Å; L2062-Y2066 PolarHBondContact O-N 2.88Å; L2062-L2108 HydrophobicContact CD2-CD1 3.76Å; L2062-M2111 HydrophobicContact CD2-CB 4.4Å; L2062-Y2115 HydrophobicContact CD1-CD1 4.15Å; L2062-Y2115 HydrophobicContact CD1-CD2 4.08Å; L2062-Y2115 HydrophobicContact CD1-CG 3.76Å; L2062-L2138 HydrophobicContact CB-CD1 4.46Å |
| 2063 | K | 86.9 | Confident | 83.7 | Confident | 85 Ų | 85 | 45.4 Ų | 45.4 | 37% | 0.37 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.6 | -43.4 | 172.9 | -75.2 | 174.8 | 178.5 | 173 | 0 | 111.3 | L2059 T2060 Y2066 V2067 L2138 | L2059-K2063 HydrophobicContact CD1-CG 4.46Å; L2059-K2063 HydrophobicContact CG-CD 4.36Å; L2059-K2063 WeakPolarHBondContact O-CB 3.37Å; L2059-K2063 WeakPolarHBondContact O-CG 3.19Å; L2059-K2063 PolarHBondContact O-N 3.47Å; T2060-K2063 PolarHBondContact O-N 2.98Å; K2063-Y2066 PolarHBondContact O-N 2.7Å; K2063-V2067 WeakPolarHBondContact O-CG2 3.2Å; K2063-V2067 PolarHBondContact O-N 3.46Å; K2063-V2067 VanDerWaalsContact O-N 3.11Å; K2063-L2138 HydrophobicContact CG-CD1 3.77Å; K2063-L2138 HydrophobicContact CG-CD2 4.1Å |
| 2064 | F | 84.3 | Confident | 82 | Confident | 36 Ų | 36 | 44 Ų | 44 | 16% | 0.158 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.9 | -42.7 | 175.1 | 178.2 | -103.3 | 0 | 0 | 0 | 112 | L1996 A1999 K2000 L2006 T2060 F2061 L2062 V2067 N2068 | L1996-F2064 HydrophobicContact CD1-CB 4.2Å; L1996-F2064 HydrophobicContact CD1-CD1 4.26Å; L1996-F2064 HydrophobicContact CD1-CG 4.24Å; A1999-F2064 HydrophobicContact CB-CE1 3.86Å; A1999-F2064 HydrophobicContact CB-CZ 4.39Å; A1999-F2064 WeakPolarHBondContact O-CZ 3.47Å; K2000-F2064 HydrophobicContact CG-CD2 4.06Å; K2000-F2064 HydrophobicContact CG-CE2 3.6Å; K2000-F2064 HydrophobicContact CG-CZ 3.95Å; L2006-F2064 HydrophobicContact CD1-CD1 4.13Å; L2006-F2064 HydrophobicContact CD1-CE1 3.61Å; T2060-F2064 PolarHBondContact O-N 2.86Å; F2061-F2064 HydrophobicContact CD2-CB 4.46Å; F2061-F2064 HydrophobicContact CD2-CD1 4Å; F2061-F2064 AromaticContact CE2-CD1 3.93Å; F2061-F2064 HydrophobicContact CE2-CD1 3.93Å; F2061-F2064 HydrophobicContact CE2-CE1 4.42Å; F2061-F2064 WeakPolarHBondContact O-CB 3.33Å; F2061-F2064 PolarHBondContact O-N 2.85Å; L2062-F2064 VanDerWaalsContact C-N 3.33Å; L2062-F2064 PolarHBondContact O-N 3.26Å; F2064-V2067 PolarHBondContact O-N 2.81Å; F2064-N2068 VanDerWaalsContact CE1-ND2 3.26Å; F2064-N2068 WeakPolarHBondContact CE1-ND2 3.32Å; F2064-N2068 WeakPolarHBondContact CE2-ND2 3.37Å; F2064-N2068 WeakPolarHBondContact CZ-ND2 3.3Å; F2064-N2068 PolarHBondContact O-N 3.13Å; F2064-N2068 PolarHBondContact O-ND2 2.94Å |
| 2065 | W | 85.6 | Confident | 80.2 | Confident | 3 Ų | 3 | 48.5 Ų | 48.5 | 1% | 0.011 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.7 | -45.2 | 175.5 | -171.6 | 4.2 | 0 | 0 | 0 | 111.8 | L2006 I2010 L2013 V2014 F2061 L2062 V2067 N2068 D2069 N2105 L2107 L2108 M2111 | L2006-W2065 HydrophobicContact CD2-CG 4.16Å; I2010-W2065 HydrophobicContact CD1-CD2 4.05Å; I2010-W2065 VanDerWaalsContact CD1-CE2 3.45Å; I2010-W2065 HydrophobicContact CD1-CG 4.4Å; I2010-W2065 HydrophobicContact CD1-CZ2 3.74Å; I2010-W2065 HydrophobicContact CG1-CD2 4Å; I2010-W2065 HydrophobicContact CG1-CE3 4.36Å; I2010-W2065 HydrophobicContact CG1-CG 4.46Å; I2010-W2065 HydrophobicContact CG1-CZ2 4.15Å; I2010-W2065 HydrophobicContact CG2-CE3 4.38Å; I2010-W2065 HydrophobicContact CG2-CH2 3.45Å; I2010-W2065 VanDerWaalsContact CG2-CH2 3.45Å; I2010-W2065 HydrophobicContact CG2-CZ2 3.7Å; I2010-W2065 HydrophobicContact CG2-CZ3 3.83Å; L2013-W2065 HydrophobicContact CD2-CE3 4.02Å; V2014-W2065 HydrophobicContact CG2-CH2 4.41Å; V2014-W2065 HydrophobicContact CG2-CZ3 4.39Å; F2061-W2065 PolarHBondContact O-N 2.79Å; L2062-W2065 HydrophobicContact CD2-CE3 4.12Å; L2062-W2065 HydrophobicContact CD2-CZ3 4.49Å; L2062-W2065 PolarHBondContact O-N 2.92Å; W2065-V2067 VanDerWaalsContact C-N 3.32Å; W2065-V2067 PolarHBondContact O-N 3.36Å; W2065-N2068 PolarHBondContact O-N 3.05Å; W2065-N2068 VanDerWaalsContact O-N 3.15Å; W2065-D2069 PolarHBondContact O-N 3.43Å; W2065-N2105 WeakPolarHBondContact CZ2-ND2 3.18Å; W2065-N2105 PolarHBondContact NE1-ND2 2.76Å; W2065-L2107 HydrophobicContact CH2-CB 4.48Å; W2065-L2107 HydrophobicContact CH2-CD2 3.89Å; W2065-L2107 HydrophobicContact CH2-CG 3.98Å; W2065-L2107 HydrophobicContact CZ2-CD2 4.26Å; W2065-L2108 HydrophobicContact CB-CD1 4.41Å; W2065-L2108 HydrophobicContact CD2-CB 4.41Å; W2065-L2108 HydrophobicContact CD2-CD1 3.81Å; W2065-L2108 HydrophobicContact CE3-CD1 3.62Å; W2065-L2108 HydrophobicContact CG-CD1 4.17Å; W2065-L2108 HydrophobicContact CG-CD2 4.49Å; W2065-L2108 HydrophobicContact CH2-CB 4.34Å; W2065-L2108 HydrophobicContact CZ2-CB 4.17Å; W2065-L2108 HydrophobicContact CZ3-CD1 4.1Å; W2065-M2111 HydrophobicContact CH2-CG 4.39Å; W2065-M2111 HydrophobicContact CZ3-CB 4.38Å; W2065-M2111 HydrophobicContact CZ3-CG 4.15Å |
| 2066 | Y | 83.8 | Confident | 78.1 | Confident | 53 Ų | 53 | 52.7 Ų | 52.7 | 21% | 0.208 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -57.1 | -41.8 | 176.6 | 176.4 | -87.2 | 0 | 0 | 0 | 113.1 | L2062 K2063 N2068 P2070 P2071 L2108 L2138 | L2062-Y2066 WeakPolarHBondContact O-CB 3.39Å; L2062-Y2066 PolarHBondContact O-N 2.88Å; K2063-Y2066 PolarHBondContact O-N 2.7Å; Y2066-N2068 VanDerWaalsContact C-N 3.32Å; Y2066-N2068 PolarHBondContact O-N 2.97Å; Y2066-P2070 HydrophobicContact CD2-CB 4.47Å; Y2066-P2070 HydrophobicContact CE2-CB 4.27Å; Y2066-P2070 WeakPolarHBondContact O-CA 3.49Å; Y2066-P2070 WeakPolarHBondContact O-CB 3.45Å; Y2066-P2070 WeakPolarHBondContact O-CD 3.31Å; Y2066-P2071 HydrophobicContact CD2-CG 4.13Å; Y2066-P2071 HydrophobicContact CE2-CG 3.93Å; Y2066-L2108 HydrophobicContact CD2-CD2 4.26Å; Y2066-L2138 HydrophobicContact CD1-CD2 4.06Å; Y2066-L2138 HydrophobicContact CD2-CB 4.13Å; Y2066-L2138 HydrophobicContact CD2-CD2 4.29Å; Y2066-L2138 WeakPolarHBondContact CD2-O 3.33Å; Y2066-L2138 WeakPolarHBondContact CE2-O 3.49Å; Y2066-L2138 HydrophobicContact CG-CD2 3.9Å |
| 2067 | V | 80.4 | Confident | 75.9 | Confident | 111 Ų | 111 | 53 Ų | 53 | 67% | 0.673 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -66.2 | -36.8 | 179.1 | 170.6 | 0 | 0 | 0 | 0 | 111.6 | K2063 F2064 W2065 | K2063-V2067 WeakPolarHBondContact O-CG2 3.2Å; K2063-V2067 PolarHBondContact O-N 3.46Å; K2063-V2067 VanDerWaalsContact O-N 3.11Å; F2064-V2067 PolarHBondContact O-N 2.81Å; W2065-V2067 VanDerWaalsContact C-N 3.32Å; W2065-V2067 PolarHBondContact O-N 3.36Å |
| 2068 | N | 79.1 | Confident | 73.8 | Confident | 86 Ų | 86 | 59.6 Ų | 59.6 | 46% | 0.46 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -85.3 | -28.3 | -177.7 | -65.9 | -23.7 | 0 | 0 | 0 | 113.4 | L2006 F2064 W2065 Y2066 | L2006-N2068 HydrophobicContact CD2-CB 3.96Å; F2064-N2068 VanDerWaalsContact CE1-ND2 3.26Å; F2064-N2068 WeakPolarHBondContact CE1-ND2 3.32Å; F2064-N2068 WeakPolarHBondContact CE2-ND2 3.37Å; F2064-N2068 WeakPolarHBondContact CZ-ND2 3.3Å; F2064-N2068 PolarHBondContact O-N 3.13Å; F2064-N2068 PolarHBondContact O-ND2 2.94Å; W2065-N2068 PolarHBondContact O-N 3.05Å; W2065-N2068 VanDerWaalsContact O-N 3.15Å; Y2066-N2068 VanDerWaalsContact C-N 3.32Å; Y2066-N2068 PolarHBondContact O-N 2.97Å |
| 2069 | D | 79.8 | Confident | 71.2 | Confident | 66 Ų | 66 | 70.8 Ų | 70.8 | 35% | 0.353 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -153.6 | 78.8 | -176.4 | -169.9 | 20.6 | 0 | 0 | 0 | 111.7 | L2006 W2065 N2105 L2108 | L2006-D2069 HydrophobicContact CD2-CB 4.48Å; W2065-D2069 PolarHBondContact O-N 3.43Å; D2069-N2105 PolarHBondContact OD2-ND2 2.99Å; D2069-L2108 WeakPolarHBondContact O-CD2 3.4Å |
| 2070 | P | 77.1 | Confident | 68.8 | Low | 66 Ų | 66 | 75.4 Ų | 75.4 | 43% | 0.429 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 153.9 | -172.6 | 26.2 | -33.2 | 0 | 0 | 0 | 113.5 | Y2066 | Y2066-P2070 HydrophobicContact CD2-CB 4.47Å; Y2066-P2070 HydrophobicContact CE2-CB 4.27Å; Y2066-P2070 WeakPolarHBondContact O-CA 3.49Å; Y2066-P2070 WeakPolarHBondContact O-CB 3.45Å; Y2066-P2070 WeakPolarHBondContact O-CD 3.31Å |
| 2071 | P | 72.2 | Confident | 66.2 | Low | 16 Ų | 16 | 76.9 Ų | 76.9 | 10% | 0.104 | 45% | 0.445 | C | S | . | . | P | Polyproline II helix | trans | -68 | 158.1 | 174.6 | 29.5 | -31.1 | 0 | 0 | 0 | 111.4 | Y2066 H2109 | Y2066-P2071 HydrophobicContact CD2-CG 4.13Å; Y2066-P2071 HydrophobicContact CE2-CG 3.93Å; P2071-H2109 HydrophobicContact CB-CB 4.21Å |
| 2072 | P | 67.9 | Low | 63.5 | Low | 29 Ų | 29 | 81.2 Ų | 81.2 | 19% | 0.188 | 48% | 0.481 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 142.3 | -179.4 | 22.3 | -24.8 | 0 | 0 | 0 | 111.2 | Y2106 | P2072-Y2106 HydrophobicContact CG-CD1 3.97Å; P2072-Y2106 HydrophobicContact CG-CE1 3.6Å; P2072-Y2106 HydrophobicContact CG-CE2 4.18Å; P2072-Y2106 HydrophobicContact CG-CG 4.41Å |
| 2073 | P | 63.2 | Low | 60.8 | Low | 116 Ų | 116 | 89.4 Ų | 89.4 | 75% | 0.753 | 52% | 0.522 | S | S | * | . | P | Polyproline II helix | trans | -62.3 | 144.9 | 177.7 | 24 | -31.9 | 0 | 0 | 0 | 111.3 | ||
| 2074 | P | 55.3 | Low | 58.2 | Low | 74 Ų | 74 | 94.1 Ų | 94.1 | 48% | 0.481 | 55% | 0.545 | S | S | . | . | P | Polyproline II helix | trans | -62 | 141.8 | -177.8 | 22.5 | -31.5 | 0 | 0 | 0 | 111.5 | ||
| 2075 | P | 52.3 | Low | 55.4 | Low | 95 Ų | 95 | 99.5 Ų | 99.5 | 62% | 0.617 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 138.7 | -179.3 | 21.8 | -30.8 | 0 | 0 | 0 | 111.5 | S2077 H2078 | P2075-S2077 PolarHBondContact O-N 3.1Å; P2075-H2078 PolarHBondContact O-N 3.01Å |
| 2076 | A | 46.8 | Very low | 52.8 | Low | 91 Ų | 91 | 105.1 Ų | 105.1 | 75% | 0.752 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -58.3 | -9.9 | -168.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | H2078 R2079 | A2076-H2078 PolarHBondContact O-N 3.37Å; A2076-R2079 PolarHBondContact O-N 2.83Å |
| 2077 | S | 44.6 | Very low | 50 | Low | 90 Ų | 90 | 109.2 Ų | 109.2 | 63% | 0.629 | 64% | 0.635 | S | S | * | * | G | 310 helix | trans | -68.2 | -12 | 178.4 | 50.3 | 0 | 0 | 0 | 0 | 114.8 | P2075 | P2075-S2077 PolarHBondContact O-N 3.1Š|
| 2078 | H | 43.4 | Very low | 47.6 | Very low | 158 Ų | 158 | 112.1 Ų | 112.1 | 73% | 0.731 | 64% | 0.644 | S | S | * | * | G | 310 helix | trans | -94.7 | 0.3 | 178 | -83.3 | -75.7 | 0 | 0 | 0 | 115.8 | P2075 A2076 | P2075-H2078 PolarHBondContact O-N 3.01Å; A2076-H2078 PolarHBondContact O-N 3.37Å |
| 2079 | R | 37.4 | Very low | 45.1 | Very low | 235 Ų | 235 | 114.8 Ų | 114.8 | 89% | 0.887 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -92.5 | -6.1 | 175.4 | -88.7 | -170.1 | -175.9 | -166 | 2.2 | 115.6 | A2076 | A2076-R2079 PolarHBondContact O-N 2.83Š|
| 2080 | S | 39 | Very low | 42.5 | Very low | 104 Ų | 104 | 114.8 Ų | 114.8 | 73% | 0.727 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -123.7 | 4.2 | -173.1 | -59.1 | 0 | 0 | 0 | 0 | 115.9 | A2082 | S2080-A2082 PolarHBondContact O-N 3.23Å; S2080-A2082 VanDerWaalsContact O-N 3.13Å |
| 2081 | A | 34.6 | Very low | 40 | Very low | 95 Ų | 95 | 119.3 Ų | 119.3 | 79% | 0.785 | 70% | 0.699 | S | S | * | * | trans | -88 | 38.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 2082 | A | 32.5 | Very low | 37.8 | Very low | 96 Ų | 96 | 124 Ų | 124 | 79% | 0.793 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -126.3 | 36.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | S2080 | S2080-A2082 PolarHBondContact O-N 3.23Å; S2080-A2082 VanDerWaalsContact O-N 3.13Å |
| 2083 | M | 30.9 | Very low | 35.7 | Very low | 172 Ų | 172 | 127.4 Ų | 127.4 | 85% | 0.847 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -150.9 | 108.9 | 156.8 | -79.1 | -155.1 | 139.5 | 0 | 0 | 110.5 | ||
| 2084 | H | 31.7 | Very low | 33.7 | Very low | 185 Ų | 185 | 127 Ų | 127 | 86% | 0.856 | 75% | 0.752 | S | S | * | * | trans | 49.9 | 111.8 | 156.2 | -80.7 | -64.4 | 0 | 0 | 0 | 122.5 | ||||
| 2085 | N | 26.2 | Very low | 32.3 | Very low | 149 Ų | 149 | 128.5 Ų | 128.5 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | trans | -33.4 | 141.2 | 151.6 | -61.4 | -30.8 | 0 | 0 | 0 | 116.2 | ||||
| 2086 | V | 31.4 | Very low | 31 | Very low | 121 Ų | 121 | 130.4 Ų | 130.4 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | 167.8 | 120.9 | 101 | 163.4 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 2087 | D | 25.2 | Very low | 30.1 | Very low | 139 Ų | 139 | 133 Ų | 133 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | trans | 31.9 | 120 | 144.8 | -52.8 | -32.5 | 0 | 0 | 0 | 122 | ||||
| 2088 | M | 30.1 | Very low | 29.1 | Very low | 172 Ų | 172 | 132.6 Ų | 132.6 | 85% | 0.847 | 79% | 0.79 | S | S | * | * | 178.5 | 119.9 | 102.9 | -99.3 | -80.7 | 171.9 | 0 | 0 | 113.1 | |||||
| 2089 | V | 26.3 | Very low | 28.4 | Very low | 141 Ų | 141 | 128.3 Ų | 128.3 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | trans | 3 | 132.9 | 142.5 | -173.8 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 2090 | G | 25.6 | Very low | 28.1 | Very low | 67 Ų | 67 | 123.8 Ų | 123.8 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | trans | 144.5 | 86.2 | 139.6 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 2091 | N | 24.2 | Very low | 28.2 | Very low | 160 Ų | 160 | 126.5 Ų | 126.5 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | 77.8 | 131.2 | 125.3 | -122.7 | 15 | 0 | 0 | 0 | 123.2 | |||||
| 2092 | V | 24.9 | Very low | 28.4 | Very low | 114 Ų | 114 | 124.9 Ų | 124.9 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | trans | 90 | 100.6 | 149.4 | -156.6 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 2093 | S | 23.5 | Very low | 29 | Very low | 101 Ų | 101 | 126.5 Ų | 126.5 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | trans | 58.5 | 128.2 | 131 | -47.1 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 2094 | S | 22.9 | Very low | 30.1 | Very low | 109 Ų | 109 | 119 Ų | 119 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | trans | 64.2 | 108.8 | 135.1 | 65.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 2095 | S | 24.2 | Very low | 32.1 | Very low | 104 Ų | 104 | 111.6 Ų | 111.6 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | 160.2 | 121.9 | 91.6 | 63.2 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 2096 | T | 25.3 | Very low | 34.5 | Very low | 135 Ų | 135 | 112 Ų | 112 | 83% | 0.828 | 72% | 0.715 | S | S | * | * | trans | 35.6 | 108.3 | 145.3 | 34.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 2097 | V | 28.1 | Very low | 36.8 | Very low | 147 Ų | 147 | 109.9 Ų | 109.9 | 89% | 0.891 | 70% | 0.699 | S | S | * | * | trans | -131.3 | 120.7 | 139.4 | 175.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 2098 | G | 23.9 | Very low | 39.5 | Very low | 80 Ų | 80 | 103.3 Ų | 103.3 | 83% | 0.825 | 66% | 0.663 | S | S | * | * | trans | -78.7 | 142 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 2099 | G | 28.9 | Very low | 42 | Very low | 68 Ų | 68 | 98.1 Ų | 98.1 | 70% | 0.701 | 64% | 0.637 | S | S | * | * | trans | -165.4 | 116.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | I2101 | G2099-I2101 PolarHBondContact O-N 3.46Š| ||
| 2100 | T | 31.9 | Very low | 44.7 | Very low | 140 Ų | 140 | 95.9 Ų | 95.9 | 86% | 0.859 | 62% | 0.617 | S | S | * | * | trans | -50.8 | 115.1 | -173.7 | 42.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 2101 | I | 39.1 | Very low | 47.5 | Very low | 162 Ų | 162 | 93 Ų | 93 | 83% | 0.831 | 59% | 0.586 | S | S | * | * | trans | -84.3 | 119.9 | 171.5 | -61.8 | 170.9 | 0 | 0 | 0 | 107.9 | G2099 | G2099-I2101 PolarHBondContact O-N 3.46Š| ||
| 2102 | G | 40.1 | Very low | 50.5 | Low | 60 Ų | 60 | 85.3 Ų | 85.3 | 62% | 0.619 | 55% | 0.545 | S | S | * | . | trans | -63.5 | 140.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | G2104 | G2102-G2104 PolarHBondContact O-N 2.9Š| ||
| 2103 | S | 44.9 | Very low | 53.4 | Low | 131 Ų | 131 | 80.3 Ų | 80.3 | 92% | 0.916 | 52% | 0.516 | S | S | * | . | trans | -68.7 | 108.6 | 173.5 | 163.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 2104 | G | 54.1 | Low | 56.3 | Low | 15 Ų | 15 | 79.2 Ų | 79.2 | 16% | 0.155 | 50% | 0.497 | C | S | . | . | trans | -112.9 | 159.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | G2102 Y2106 | G2102-G2104 PolarHBondContact O-N 2.9Å; G2104-Y2106 VanDerWaalsContact O-CD2 3.3Å; G2104-Y2106 WeakPolarHBondContact O-CD2 3.41Å; G2104-Y2106 PolarHBondContact O-N 2.95Å | ||
| 2105 | N | 72.9 | Confident | 59.5 | Low | 28 Ų | 28 | 74 Ų | 74 | 15% | 0.15 | 46% | 0.461 | C | S | . | . | trans | -76.9 | 89.3 | -176.2 | -167 | -30.1 | 0 | 0 | 0 | 112.6 | W2065 D2069 L2107 L2108 | W2065-N2105 WeakPolarHBondContact CZ2-ND2 3.18Å; W2065-N2105 PolarHBondContact NE1-ND2 2.76Å; D2069-N2105 PolarHBondContact OD2-ND2 2.99Å; N2105-L2107 PolarHBondContact O-N 3.34Å; N2105-L2107 WeakPolarHBondContact OD1-CB 3.28Å; N2105-L2107 PolarHBondContact OD1-N 2.92Å; N2105-L2107 VanDerWaalsContact OD1-N 3.12Å; N2105-L2108 HydrophobicContact CB-CB 4.37Å; N2105-L2108 PolarHBondContact O-N 3.24Å; N2105-L2108 PolarHBondContact OD1-N 2.94Å | ||
| 2106 | Y | 76.8 | Confident | 62.5 | Low | 158 Ų | 158 | 71.2 Ų | 71.2 | 62% | 0.62 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -63.2 | -27.6 | 175.7 | -68.2 | -80 | 0 | 0 | 0 | 113.5 | P2072 G2104 H2109 E2110 | P2072-Y2106 HydrophobicContact CG-CD1 3.97Å; P2072-Y2106 HydrophobicContact CG-CE1 3.6Å; P2072-Y2106 HydrophobicContact CG-CE2 4.18Å; P2072-Y2106 HydrophobicContact CG-CG 4.41Å; G2104-Y2106 VanDerWaalsContact O-CD2 3.3Å; G2104-Y2106 WeakPolarHBondContact O-CD2 3.41Å; G2104-Y2106 PolarHBondContact O-N 2.95Å; Y2106-H2109 PolarHBondContact O-N 3.37Å; Y2106-E2110 PolarHBondContact O-N 3.25Å; Y2106-E2110 VanDerWaalsContact O-N 3.12Å |
| 2107 | L | 80.3 | Confident | 65.4 | Low | 77 Ų | 77 | 67.6 Ų | 67.6 | 40% | 0.403 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65.6 | -41.5 | 179.7 | -177.9 | 68.6 | 0 | 0 | 0 | 111 | W2065 N2105 H2109 E2110 M2111 | W2065-L2107 HydrophobicContact CH2-CB 4.48Å; W2065-L2107 HydrophobicContact CH2-CD2 3.89Å; W2065-L2107 HydrophobicContact CH2-CG 3.98Å; W2065-L2107 HydrophobicContact CZ2-CD2 4.26Å; N2105-L2107 PolarHBondContact O-N 3.34Å; N2105-L2107 WeakPolarHBondContact OD1-CB 3.28Å; N2105-L2107 PolarHBondContact OD1-N 2.92Å; N2105-L2107 VanDerWaalsContact OD1-N 3.12Å; L2107-H2109 VanDerWaalsContact C-N 3.33Å; L2107-H2109 PolarHBondContact O-N 3.38Å; L2107-E2110 PolarHBondContact O-N 3.46Å; L2107-M2111 HydrophobicContact CD1-CE 4.13Å; L2107-M2111 HydrophobicContact CG-CG 4.38Å; L2107-M2111 WeakPolarHBondContact O-CB 3.32Å; L2107-M2111 VanDerWaalsContact O-CG 3.3Å; L2107-M2111 WeakPolarHBondContact O-CG 3.33Å; L2107-M2111 PolarHBondContact O-N 3.35Å |
| 2108 | L | 82.5 | Confident | 68.2 | Low | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.1 | -43 | 175.4 | 175.8 | 60.9 | 0 | 0 | 0 | 111.5 | L2062 W2065 Y2066 D2069 N2105 E2110 M2111 I2112 | L2062-L2108 HydrophobicContact CD2-CD1 3.76Å; W2065-L2108 HydrophobicContact CB-CD1 4.41Å; W2065-L2108 HydrophobicContact CD2-CB 4.41Å; W2065-L2108 HydrophobicContact CD2-CD1 3.81Å; W2065-L2108 HydrophobicContact CE3-CD1 3.62Å; W2065-L2108 HydrophobicContact CG-CD1 4.17Å; W2065-L2108 HydrophobicContact CG-CD2 4.49Å; W2065-L2108 HydrophobicContact CH2-CB 4.34Å; W2065-L2108 HydrophobicContact CZ2-CB 4.17Å; W2065-L2108 HydrophobicContact CZ3-CD1 4.1Å; Y2066-L2108 HydrophobicContact CD2-CD2 4.26Å; D2069-L2108 WeakPolarHBondContact O-CD2 3.4Å; N2105-L2108 HydrophobicContact CB-CB 4.37Å; N2105-L2108 PolarHBondContact O-N 3.24Å; N2105-L2108 PolarHBondContact OD1-N 2.94Å; L2108-E2110 VanDerWaalsContact C-N 3.31Å; L2108-E2110 PolarHBondContact O-N 3.46Å; L2108-M2111 PolarHBondContact O-N 3.48Å; L2108-I2112 HydrophobicContact CD1-CD1 4.07Å; L2108-I2112 HydrophobicContact CD1-CG1 4.17Å; L2108-I2112 HydrophobicContact CG-CD1 3.98Å; L2108-I2112 WeakPolarHBondContact O-CD1 3.4Å; L2108-I2112 VanDerWaalsContact O-CG1 3.28Å; L2108-I2112 WeakPolarHBondContact O-CG1 3.44Å; L2108-I2112 PolarHBondContact O-N 3.26Å |
| 2109 | H | 80.7 | Confident | 71.2 | Confident | 64 Ų | 64 | 57.2 Ų | 57.2 | 30% | 0.296 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.4 | -40.4 | 176.9 | -177.4 | -78.1 | 0 | 0 | 0 | 112.2 | P2071 Y2106 L2107 G2113 | P2071-H2109 HydrophobicContact CB-CB 4.21Å; Y2106-H2109 PolarHBondContact O-N 3.37Å; L2107-H2109 VanDerWaalsContact C-N 3.33Å; L2107-H2109 PolarHBondContact O-N 3.38Å; H2109-G2113 PolarHBondContact O-N 3.05Å |
| 2110 | E | 83.1 | Confident | 73.8 | Confident | 93 Ų | 93 | 59.8 Ų | 59.8 | 44% | 0.435 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -67 | -46.1 | 175.6 | -147.7 | -169.8 | 156 | 0 | 0 | 111.5 | Y2106 L2107 L2108 I2112 G2113 Y2114 | Y2106-E2110 PolarHBondContact O-N 3.25Å; Y2106-E2110 VanDerWaalsContact O-N 3.12Å; L2107-E2110 PolarHBondContact O-N 3.46Å; L2108-E2110 VanDerWaalsContact C-N 3.31Å; L2108-E2110 PolarHBondContact O-N 3.46Å; E2110-I2112 PolarHBondContact O-N 3.27Å; E2110-G2113 WeakPolarHBondContact O-CA 3.29Å; E2110-G2113 PolarHBondContact O-N 3.11Å; E2110-Y2114 HydrophobicContact CB-CE2 4.29Å; E2110-Y2114 HydrophobicContact CG-CD2 4.2Å; E2110-Y2114 HydrophobicContact CG-CE2 3.48Å; E2110-Y2114 VanDerWaalsContact CG-CE2 3.48Å; E2110-Y2114 WeakPolarHBondContact O-CD2 3.48Å; E2110-Y2114 PolarHBondContact O-N 3.06Å; E2110-Y2114 WeakPolarHBondContact OE1-CE2 3.29Å; E2110-Y2114 PolarHBondContact OE1-OH 3.33Å |
| 2111 | M | 85.7 | Confident | 76.3 | Confident | 6 Ų | 6 | 56 Ų | 56 | 3% | 0.03 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.8 | -37.9 | 179.5 | -71.8 | -57.6 | 110.7 | 0 | 0 | 113.3 | V2014 L2062 W2065 L2107 L2108 G2113 Y2114 Y2115 | V2014-M2111 HydrophobicContact CB-SD 4.23Å; V2014-M2111 HydrophobicContact CG1-CE 4.37Å; V2014-M2111 HydrophobicContact CG1-SD 3.86Å; V2014-M2111 HydrophobicContact CG2-CG 4.09Å; V2014-M2111 HydrophobicContact CG2-SD 3.98Å; L2062-M2111 HydrophobicContact CD2-CB 4.4Å; W2065-M2111 HydrophobicContact CH2-CG 4.39Å; W2065-M2111 HydrophobicContact CZ3-CB 4.38Å; W2065-M2111 HydrophobicContact CZ3-CG 4.15Å; L2107-M2111 HydrophobicContact CD1-CE 4.13Å; L2107-M2111 HydrophobicContact CG-CG 4.38Å; L2107-M2111 WeakPolarHBondContact O-CB 3.32Å; L2107-M2111 VanDerWaalsContact O-CG 3.3Å; L2107-M2111 WeakPolarHBondContact O-CG 3.33Å; L2107-M2111 PolarHBondContact O-N 3.35Å; L2108-M2111 PolarHBondContact O-N 3.48Å; M2111-G2113 PolarHBondContact O-N 2.85Å; M2111-Y2114 HydrophobicContact CE-CD2 3.43Å; M2111-Y2114 VanDerWaalsContact CE-CD2 3.43Å; M2111-Y2114 HydrophobicContact CE-CE2 3.68Å; M2111-Y2114 PolarHBondContact O-N 2.84Å; M2111-Y2114 HydrophobicContact SD-CD2 4.3Å; M2111-Y2115 WeakPolarHBondContact O-CB 3.23Å; M2111-Y2115 PolarHBondContact O-N 3Å |
| 2112 | I | 86.6 | Confident | 78.6 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.5 | -39.1 | 172.3 | -67.2 | 160.1 | 0 | 0 | 0 | 110.1 | L2108 E2110 Y2115 E2116 A2135 L2138 R2139 | L2108-I2112 HydrophobicContact CD1-CD1 4.07Å; L2108-I2112 HydrophobicContact CD1-CG1 4.17Å; L2108-I2112 HydrophobicContact CG-CD1 3.98Å; L2108-I2112 WeakPolarHBondContact O-CD1 3.4Å; L2108-I2112 VanDerWaalsContact O-CG1 3.28Å; L2108-I2112 WeakPolarHBondContact O-CG1 3.44Å; L2108-I2112 PolarHBondContact O-N 3.26Å; E2110-I2112 PolarHBondContact O-N 3.27Å; I2112-Y2115 PolarHBondContact O-N 3.46Å; I2112-E2116 WeakPolarHBondContact CG2-OE1 3.24Å; I2112-E2116 WeakPolarHBondContact O-CG 3.31Å; I2112-E2116 PolarHBondContact O-N 2.68Å; I2112-A2135 HydrophobicContact CG2-CB 3.79Å; I2112-L2138 HydrophobicContact CD1-CB 3.67Å; I2112-L2138 HydrophobicContact CG1-CB 4.42Å; I2112-R2139 HydrophobicContact CB-CG 4.13Å; I2112-R2139 HydrophobicContact CD1-CG 4.26Å; I2112-R2139 HydrophobicContact CG2-CG 3.74Å |
| 2113 | G | 84.8 | Confident | 80.6 | Confident | 9 Ų | 9 | 47 Ų | 47 | 9% | 0.093 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.5 | -45.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | H2109 E2110 M2111 Y2115 E2116 V2117 | H2109-G2113 PolarHBondContact O-N 3.05Å; E2110-G2113 WeakPolarHBondContact O-CA 3.29Å; E2110-G2113 PolarHBondContact O-N 3.11Å; M2111-G2113 PolarHBondContact O-N 2.85Å; G2113-Y2115 VanDerWaalsContact C-N 3.28Å; G2113-Y2115 PolarHBondContact O-N 3.32Å; G2113-E2116 PolarHBondContact O-N 3.15Å; G2113-V2117 WeakPolarHBondContact O-CG2 3.46Å; G2113-V2117 PolarHBondContact O-N 3.4Å; G2113-V2117 VanDerWaalsContact O-N 3.1Å |
| 2114 | Y | 85.7 | Confident | 82.4 | Confident | 77 Ų | 77 | 49.8 Ų | 49.8 | 30% | 0.302 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -65 | -35.9 | 175.5 | -67 | -61.8 | 0 | 0 | 0 | 112 | Q2018 E2110 M2111 V2117 L2118 | Q2018-Y2114 HydrophobicContact CB-CG 4.5Å; E2110-Y2114 HydrophobicContact CB-CE2 4.29Å; E2110-Y2114 HydrophobicContact CG-CD2 4.2Å; E2110-Y2114 HydrophobicContact CG-CE2 3.48Å; E2110-Y2114 VanDerWaalsContact CG-CE2 3.48Å; E2110-Y2114 WeakPolarHBondContact O-CD2 3.48Å; E2110-Y2114 PolarHBondContact O-N 3.06Å; E2110-Y2114 WeakPolarHBondContact OE1-CE2 3.29Å; E2110-Y2114 PolarHBondContact OE1-OH 3.33Å; M2111-Y2114 HydrophobicContact CE-CD2 3.43Å; M2111-Y2114 VanDerWaalsContact CE-CD2 3.43Å; M2111-Y2114 HydrophobicContact CE-CE2 3.68Å; M2111-Y2114 PolarHBondContact O-N 2.84Å; M2111-Y2114 HydrophobicContact SD-CD2 4.3Å; Y2114-V2117 PolarHBondContact O-N 3.23Å; Y2114-L2118 WeakPolarHBondContact O-CB 3.47Å; Y2114-L2118 PolarHBondContact O-N 3.07Å |
| 2115 | Y | 90 | Very high | 83.7 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63 | -46.4 | 174.4 | 177.5 | -97.1 | 0 | 0 | 0 | 111.8 | I2017 L2055 Q2058 L2059 L2062 M2111 I2112 G2113 V2117 L2118 V2119 L2133 A2135 | I2017-Y2115 HydrophobicContact CG1-CD2 4.48Å; L2055-Y2115 HydrophobicContact CB-CE2 4.42Å; L2055-Y2115 HydrophobicContact CD2-CE2 3.94Å; L2055-Y2115 WeakPolarHBondContact O-CE2 3.49Å; L2055-Y2115 PolarHBondContact O-OH 3.47Å; Q2058-Y2115 HydrophobicContact CB-CD2 4.12Å; Q2058-Y2115 HydrophobicContact CB-CE2 3.74Å; L2059-Y2115 HydrophobicContact CB-CE1 4.28Å; L2059-Y2115 WeakPolarHBondContact CB-OH 3.32Å; L2059-Y2115 HydrophobicContact CD1-CE1 4.22Å; L2062-Y2115 HydrophobicContact CD1-CD1 4.15Å; L2062-Y2115 HydrophobicContact CD1-CD2 4.08Å; L2062-Y2115 HydrophobicContact CD1-CG 3.76Å; M2111-Y2115 WeakPolarHBondContact O-CB 3.23Å; M2111-Y2115 PolarHBondContact O-N 3Å; I2112-Y2115 PolarHBondContact O-N 3.46Å; G2113-Y2115 VanDerWaalsContact C-N 3.28Å; G2113-Y2115 PolarHBondContact O-N 3.32Å; Y2115-V2117 VanDerWaalsContact C-N 3.31Å; Y2115-V2117 PolarHBondContact O-N 3.43Å; Y2115-L2118 WeakPolarHBondContact O-CB 3.46Å; Y2115-L2118 PolarHBondContact O-N 3.43Å; Y2115-L2118 VanDerWaalsContact O-N 3.13Å; Y2115-V2119 HydrophobicContact CD1-CG2 3.97Å; Y2115-V2119 HydrophobicContact CD2-CG2 4.31Å; Y2115-V2119 HydrophobicContact CE1-CG2 3.46Å; Y2115-V2119 VanDerWaalsContact CE1-CG2 3.46Å; Y2115-V2119 HydrophobicContact CE2-CG2 3.85Å; Y2115-V2119 HydrophobicContact CG-CG2 4.36Å; Y2115-V2119 VanDerWaalsContact O-CG2 3.29Å; Y2115-V2119 WeakPolarHBondContact O-CG2 3.48Å; Y2115-V2119 PolarHBondContact O-N 2.94Å; Y2115-L2133 WeakPolarHBondContact CE1-O 3.42Å; Y2115-A2135 HydrophobicContact CD1-CB 3.95Å; Y2115-A2135 HydrophobicContact CE1-CB 4.19Å |
| 2116 | E | 87.3 | Confident | 84.2 | Confident | 45 Ų | 45 | 52.4 Ų | 52.4 | 21% | 0.21 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.5 | -41.4 | 175.6 | -74.6 | 164.6 | -167.2 | 0 | 0 | 112.4 | I2112 G2113 R2120 R2139 | I2112-E2116 WeakPolarHBondContact CG2-OE1 3.24Å; I2112-E2116 WeakPolarHBondContact O-CG 3.31Å; I2112-E2116 PolarHBondContact O-N 2.68Å; G2113-E2116 PolarHBondContact O-N 3.15Å; E2116-R2120 WeakPolarHBondContact O-CB 3.48Å; E2116-R2120 PolarHBondContact O-N 3.22Å; E2116-R2139 IonicContact OE1-CZ 3.23Å; E2116-R2139 IonicContact OE1-NH1 3.69Å; E2116-R2139 PolarHBondContact OE1-NH1 3.38Å; E2116-R2139 IonicContact OE2-CZ 3.16Å; E2116-R2139 IonicContact OE2-NH1 2.7Å; E2116-R2139 PolarHBondContact OE2-NH1 3.09Å; E2116-R2139 IonicContact OE2-NH2 2.7Å |
| 2117 | V | 85.4 | Confident | 84.2 | Confident | 60 Ų | 60 | 48 Ų | 48 | 36% | 0.364 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.1 | -45.5 | 174.6 | 173 | 0 | 0 | 0 | 0 | 110.4 | G2113 Y2114 Y2115 R2120 D2121 | G2113-V2117 WeakPolarHBondContact O-CG2 3.46Å; G2113-V2117 PolarHBondContact O-N 3.4Å; G2113-V2117 VanDerWaalsContact O-N 3.1Å; Y2114-V2117 PolarHBondContact O-N 3.23Å; Y2115-V2117 VanDerWaalsContact C-N 3.31Å; Y2115-V2117 PolarHBondContact O-N 3.43Å; V2117-R2120 PolarHBondContact O-N 3.45Å; V2117-D2121 WeakPolarHBondContact O-CB 3.49Å; V2117-D2121 PolarHBondContact O-N 3.03Å |
| 2118 | L | 87.2 | Confident | 84.3 | Confident | 6 Ų | 6 | 45.9 Ų | 45.9 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.8 | -48 | 177.6 | 179.2 | 66.1 | 0 | 0 | 0 | 111.6 | V2025 P2026 L2055 Y2114 Y2115 R2120 D2121 M2122 | V2025-L2118 HydrophobicContact CB-CD1 4.34Å; P2026-L2118 HydrophobicContact CG-CD1 3.57Å; L2055-L2118 HydrophobicContact CD2-CD2 3.86Å; L2055-L2118 HydrophobicContact CD2-CG 4Å; Y2114-L2118 WeakPolarHBondContact O-CB 3.47Å; Y2114-L2118 PolarHBondContact O-N 3.07Å; Y2115-L2118 WeakPolarHBondContact O-CB 3.46Å; Y2115-L2118 PolarHBondContact O-N 3.43Å; Y2115-L2118 VanDerWaalsContact O-N 3.13Å; L2118-R2120 PolarHBondContact O-N 2.83Å; L2118-D2121 PolarHBondContact O-N 3.44Å; L2118-M2122 HydrophobicContact CD1-CE 4.28Å; L2118-M2122 HydrophobicContact CD1-CG 4.03Å; L2118-M2122 HydrophobicContact CG-CG 4.37Å; L2118-M2122 WeakPolarHBondContact O-CB 3.3Å; L2118-M2122 VanDerWaalsContact O-CG 3.28Å; L2118-M2122 WeakPolarHBondContact O-CG 3.38Å; L2118-M2122 PolarHBondContact O-N 2.83Å |
| 2119 | V | 87.3 | Confident | 84 | Confident | 3 Ų | 3 | 49.3 Ų | 49.3 | 2% | 0.018 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60 | -45.9 | 177.9 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | L2055 Y2115 D2121 M2122 S2123 V2130 L2133 | L2055-V2119 HydrophobicContact CD1-CG2 4.33Å; L2055-V2119 HydrophobicContact CD2-CG2 3.92Å; Y2115-V2119 HydrophobicContact CD1-CG2 3.97Å; Y2115-V2119 HydrophobicContact CD2-CG2 4.31Å; Y2115-V2119 HydrophobicContact CE1-CG2 3.46Å; Y2115-V2119 VanDerWaalsContact CE1-CG2 3.46Å; Y2115-V2119 HydrophobicContact CE2-CG2 3.85Å; Y2115-V2119 HydrophobicContact CG-CG2 4.36Å; Y2115-V2119 VanDerWaalsContact O-CG2 3.29Å; Y2115-V2119 WeakPolarHBondContact O-CG2 3.48Å; Y2115-V2119 PolarHBondContact O-N 2.94Å; V2119-D2121 VanDerWaalsContact C-N 3.34Å; V2119-D2121 PolarHBondContact O-N 3.34Å; V2119-M2122 PolarHBondContact O-N 3.27Å; V2119-S2123 WeakPolarHBondContact O-CB 3.49Å; V2119-S2123 PolarHBondContact O-N 2.94Å; V2119-V2130 HydrophobicContact CG1-CB 4.33Å; V2119-V2130 HydrophobicContact CG1-CG1 3.3Å; V2119-V2130 HydrophobicContact CG1-CG2 4.21Å; V2119-L2133 HydrophobicContact CG1-CB 3.92Å; V2119-L2133 HydrophobicContact CG1-CD1 3.87Å; V2119-L2133 HydrophobicContact CG2-CB 4.33Å; V2119-L2133 HydrophobicContact CG2-CD1 4.46Å |
| 2120 | R | 84 | Confident | 83.7 | Confident | 122 Ų | 122 | 48.5 Ų | 48.5 | 46% | 0.46 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.8 | -44 | 177 | -176 | -172.9 | 68.1 | -166.9 | -4.5 | 111.7 | E2116 V2117 L2118 R2124 | E2116-R2120 WeakPolarHBondContact O-CB 3.48Å; E2116-R2120 PolarHBondContact O-N 3.22Å; V2117-R2120 PolarHBondContact O-N 3.45Å; L2118-R2120 PolarHBondContact O-N 2.83Å; R2120-R2124 VanDerWaalsContact O-CG 3.31Å; R2120-R2124 WeakPolarHBondContact O-CG 3.45Å; R2120-R2124 PolarHBondContact O-N 3.44Å |
| 2121 | D | 83.5 | Confident | 83.5 | Confident | 60 Ų | 60 | 50.9 Ų | 50.9 | 32% | 0.321 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -71.6 | -39.2 | -176.8 | -69.6 | -4 | 0 | 0 | 0 | 111.5 | V2117 L2118 V2119 K2125 | V2117-D2121 WeakPolarHBondContact O-CB 3.49Å; V2117-D2121 PolarHBondContact O-N 3.03Å; L2118-D2121 PolarHBondContact O-N 3.44Å; V2119-D2121 VanDerWaalsContact C-N 3.34Å; V2119-D2121 PolarHBondContact O-N 3.34Å; D2121-K2125 PolarHBondContact O-N 3.15Å |
| 2122 | M | 86.9 | Confident | 83.3 | Confident | 8 Ų | 8 | 55 Ų | 55 | 4% | 0.039 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -70.6 | -40.4 | 174.9 | -66.2 | -59.2 | 108.7 | 0 | 0 | 112.2 | V2025 P2026 V2029 V2051 L2055 L2118 V2119 R2124 K2125 F2126 F2128 | V2025-M2122 HydrophobicContact CG1-SD 4.15Å; P2026-M2122 HydrophobicContact CB-CE 4.31Å; P2026-M2122 HydrophobicContact CG-CE 4.35Å; V2029-M2122 HydrophobicContact CG2-SD 4.46Å; V2051-M2122 HydrophobicContact CG1-CB 4.15Å; V2051-M2122 HydrophobicContact CG1-CG 4.04Å; V2051-M2122 HydrophobicContact CG1-SD 4.17Å; L2055-M2122 HydrophobicContact CD1-CB 4.16Å; L2118-M2122 HydrophobicContact CD1-CE 4.28Å; L2118-M2122 HydrophobicContact CD1-CG 4.03Å; L2118-M2122 HydrophobicContact CG-CG 4.37Å; L2118-M2122 WeakPolarHBondContact O-CB 3.3Å; L2118-M2122 VanDerWaalsContact O-CG 3.28Å; L2118-M2122 WeakPolarHBondContact O-CG 3.38Å; L2118-M2122 PolarHBondContact O-N 2.83Å; V2119-M2122 PolarHBondContact O-N 3.27Å; M2122-R2124 VanDerWaalsContact C-N 3.33Å; M2122-R2124 PolarHBondContact O-N 3.26Å; M2122-K2125 PolarHBondContact O-N 3.3Å; M2122-F2126 WeakPolarHBondContact O-CD2 3.49Å; M2122-F2126 PolarHBondContact O-N 3.13Å; M2122-F2126 HydrophobicContact SD-CE2 4.12Å; M2122-F2128 HydrophobicContact CB-CE2 4.19Å; M2122-F2128 HydrophobicContact CB-CZ 3.82Å |
| 2123 | S | 83.7 | Confident | 83.2 | Confident | 25 Ų | 25 | 55.2 Ų | 55.2 | 18% | 0.175 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.3 | -40.2 | 174.2 | 172.3 | 0 | 0 | 0 | 0 | 111.9 | V2119 K2125 G2127 F2128 V2130 | V2119-S2123 WeakPolarHBondContact O-CB 3.49Å; V2119-S2123 PolarHBondContact O-N 2.94Å; S2123-K2125 VanDerWaalsContact C-N 3.25Å; S2123-K2125 PolarHBondContact O-N 3.5Å; S2123-G2127 VanDerWaalsContact O-CA 3.23Å; S2123-G2127 WeakPolarHBondContact O-CA 3.37Å; S2123-G2127 PolarHBondContact O-N 3.4Å; S2123-F2128 PolarHBondContact OG-O 2.86Å; S2123-V2130 WeakPolarHBondContact OG-CG2 3.28Å |
| 2124 | R | 81.1 | Confident | 83.1 | Confident | 189 Ų | 189 | 58.4 Ų | 58.4 | 71% | 0.713 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -62.3 | -33 | 172.7 | -77.5 | 175.1 | 178.2 | -177.4 | -1 | 113 | R2120 M2122 | R2120-R2124 VanDerWaalsContact O-CG 3.31Å; R2120-R2124 WeakPolarHBondContact O-CG 3.45Å; R2120-R2124 PolarHBondContact O-N 3.44Å; M2122-R2124 VanDerWaalsContact C-N 3.33Å; M2122-R2124 PolarHBondContact O-N 3.26Å |
| 2125 | K | 81.4 | Confident | 83 | Confident | 68 Ų | 68 | 54.8 Ų | 54.8 | 30% | 0.296 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -81.2 | -40 | -177.1 | -177.6 | 156.2 | -178.7 | 159.6 | 0 | 113.2 | V2029 K2030 V2032 D2121 M2122 S2123 | V2029-K2125 HydrophobicContact CG1-CD 3.68Å; V2029-K2125 PolarHBondContact O-NZ 2.81Å; K2030-K2125 PolarHBondContact O-NZ 2.94Å; V2032-K2125 VanDerWaalsContact O-CE 3.3Å; V2032-K2125 WeakPolarHBondContact O-CE 3.35Å; V2032-K2125 PolarHBondContact O-NZ 3.42Å; D2121-K2125 PolarHBondContact O-N 3.15Å; M2122-K2125 PolarHBondContact O-N 3.3Å; S2123-K2125 VanDerWaalsContact C-N 3.25Å; S2123-K2125 PolarHBondContact O-N 3.5Å |
| 2126 | F | 83.7 | Confident | 82.2 | Confident | 31 Ų | 31 | 58.4 Ų | 58.4 | 14% | 0.136 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -110.7 | -14.1 | -173 | -68.1 | -71 | 0 | 0 | 0 | 114.4 | V2029 F2044 L2047 A2048 V2051 M2122 F2128 | V2029-F2126 HydrophobicContact CG1-CE1 4.47Å; V2029-F2126 HydrophobicContact CG1-CE2 3.63Å; V2029-F2126 HydrophobicContact CG1-CZ 3.39Å; V2029-F2126 HydrophobicContact CG2-CZ 4.46Å; F2044-F2126 AromaticContact CE1-CD1 3.7Å; F2044-F2126 HydrophobicContact CE1-CD1 3.7Å; F2044-F2126 AromaticContact CE1-CE1 3.91Å; F2044-F2126 HydrophobicContact CE1-CE1 3.91Å; F2044-F2126 HydrophobicContact CE2-CE1 4.05Å; F2044-F2126 AromaticContact CZ-CD1 3.69Å; F2044-F2126 HydrophobicContact CZ-CD1 3.69Å; F2044-F2126 AromaticContact CZ-CE1 3.59Å; F2044-F2126 HydrophobicContact CZ-CE1 3.59Å; L2047-F2126 HydrophobicContact CD2-CE1 4.31Å; L2047-F2126 HydrophobicContact CD2-CZ 4.16Å; L2047-F2126 HydrophobicContact CG-CE1 4.34Å; L2047-F2126 HydrophobicContact CG-CZ 4.14Å; A2048-F2126 HydrophobicContact CB-CB 4.22Å; A2048-F2126 HydrophobicContact CB-CD1 3.56Å; A2048-F2126 HydrophobicContact CB-CE1 4.07Å; A2048-F2126 HydrophobicContact CB-CG 4.04Å; V2051-F2126 HydrophobicContact CB-CE2 4.18Å; V2051-F2126 HydrophobicContact CG1-CD2 4.3Å; V2051-F2126 HydrophobicContact CG1-CE2 4.05Å; V2051-F2126 HydrophobicContact CG2-CE2 3.79Å; V2051-F2126 HydrophobicContact CG2-CZ 4.02Å; M2122-F2126 WeakPolarHBondContact O-CD2 3.49Å; M2122-F2126 PolarHBondContact O-N 3.13Å; M2122-F2126 HydrophobicContact SD-CE2 4.12Å; F2126-F2128 HydrophobicContact CB-CD1 3.49Å; F2126-F2128 VanDerWaalsContact CB-CD1 3.49Å; F2126-F2128 HydrophobicContact CB-CE1 3.16Å; F2126-F2128 HydrophobicContact CB-CZ 4.02Å; F2126-F2128 AromaticContact CD2-CE1 3.69Å; F2126-F2128 HydrophobicContact CD2-CE1 3.69Å; F2126-F2128 HydrophobicContact CD2-CZ 4Å; F2126-F2128 HydrophobicContact CG-CD1 4.46Å; F2126-F2128 AromaticContact CG-CE1 3.73Å; F2126-F2128 HydrophobicContact CG-CE1 3.73Å; F2126-F2128 HydrophobicContact CG-CZ 4.44Å |
| 2127 | G | 78.4 | Confident | 81.6 | Confident | 66 Ų | 66 | 60.7 Ų | 60.7 | 68% | 0.68 | 32% | 0.315 | S | S | * | . | trans | 83.1 | 12.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | S2123 | S2123-G2127 VanDerWaalsContact O-CA 3.23Å; S2123-G2127 WeakPolarHBondContact O-CA 3.37Å; S2123-G2127 PolarHBondContact O-N 3.4Å | ||
| 2128 | F | 81 | Confident | 81.3 | Confident | 31 Ų | 31 | 58.2 Ų | 58.2 | 14% | 0.136 | 30% | 0.3 | C | S | . | . | trans | -78.9 | 150.3 | 177 | 38.7 | -105.7 | 0 | 0 | 0 | 113.6 | V2051 L2052 L2055 M2122 S2123 F2126 | V2051-F2128 HydrophobicContact CG1-CE1 4.45Å; V2051-F2128 HydrophobicContact CG1-CZ 4.02Å; L2052-F2128 HydrophobicContact CD1-CD2 4.07Å; L2052-F2128 HydrophobicContact CD1-CE2 4.43Å; L2052-F2128 HydrophobicContact CD1-CG 4.25Å; L2055-F2128 HydrophobicContact CD1-CE2 3.95Å; L2055-F2128 HydrophobicContact CD1-CZ 4.16Å; M2122-F2128 HydrophobicContact CB-CE2 4.19Å; M2122-F2128 HydrophobicContact CB-CZ 3.82Å; S2123-F2128 PolarHBondContact OG-O 2.86Å; F2126-F2128 HydrophobicContact CB-CD1 3.49Å; F2126-F2128 VanDerWaalsContact CB-CD1 3.49Å; F2126-F2128 HydrophobicContact CB-CE1 3.16Å; F2126-F2128 HydrophobicContact CB-CZ 4.02Å; F2126-F2128 AromaticContact CD2-CE1 3.69Å; F2126-F2128 HydrophobicContact CD2-CE1 3.69Å; F2126-F2128 HydrophobicContact CD2-CZ 4Å; F2126-F2128 HydrophobicContact CG-CD1 4.46Å; F2126-F2128 AromaticContact CG-CE1 3.73Å; F2126-F2128 HydrophobicContact CG-CE1 3.73Å; F2126-F2128 HydrophobicContact CG-CZ 4.44Å | ||
| 2129 | S | 76.8 | Confident | 80.5 | Confident | 73 Ų | 73 | 60.4 Ų | 60.4 | 51% | 0.51 | 31% | 0.308 | S | S | . | . | trans | -70.5 | 138.6 | 178.6 | -178.6 | 0 | 0 | 0 | 0 | 111.9 | H2132 | S2129-H2132 PolarHBondContact O-CE1 2.86Å; S2129-H2132 PolarHBondContact O-ND1 3.49Å | ||
| 2130 | V | 74 | Confident | 79.6 | Confident | 46 Ų | 46 | 67 Ų | 67 | 28% | 0.279 | 33% | 0.334 | S | S | . | . | trans | -101.3 | -10.7 | -169.1 | -176.7 | 0 | 0 | 0 | 0 | 113.3 | V2119 S2123 H2132 L2133 N2134 | V2119-V2130 HydrophobicContact CG1-CB 4.33Å; V2119-V2130 HydrophobicContact CG1-CG1 3.3Å; V2119-V2130 HydrophobicContact CG1-CG2 4.21Å; S2123-V2130 WeakPolarHBondContact OG-CG2 3.28Å; V2130-H2132 PolarHBondContact O-N 3.3Å; V2130-L2133 HydrophobicContact CG1-CB 4.41Å; V2130-L2133 WeakPolarHBondContact O-CA 3.49Å; V2130-L2133 PolarHBondContact O-N 3.06Å; V2130-N2134 PolarHBondContact O-N 3.25Å | ||
| 2131 | D | 78.2 | Confident | 78.3 | Confident | 144 Ų | 144 | 61.9 Ų | 61.9 | 77% | 0.77 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -56.4 | -34.9 | -167.5 | -62.5 | -28.8 | 0 | 0 | 0 | 113.7 | ||
| 2132 | H | 82.4 | Confident | 76.7 | Confident | 93 Ų | 93 | 64.5 Ų | 64.5 | 43% | 0.431 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -81.8 | -16.2 | 179 | 67.2 | -74.7 | 0 | 0 | 0 | 114.1 | E2056 S2129 V2130 | E2056-H2132 IonicContact OE1-CD2 3.48Å; E2056-H2132 PolarHBondContact OE1-CD2 3.28Å; E2056-H2132 IonicContact OE1-NE2 2.61Å; E2056-H2132 PolarHBondContact OE1-NE2 3.44Å; S2129-H2132 PolarHBondContact O-CE1 2.86Å; S2129-H2132 PolarHBondContact O-ND1 3.49Å; V2130-H2132 PolarHBondContact O-N 3.3Å |
| 2133 | L | 85.4 | Confident | 74.5 | Confident | 3 Ų | 3 | 71.5 Ų | 71.5 | 2% | 0.016 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -93.6 | 3.8 | 179.1 | -60 | 175.2 | 0 | 0 | 0 | 112.8 | L2052 L2055 E2056 Y2115 V2119 V2130 A2135 | L2052-L2133 HydrophobicContact CD1-CD1 3.9Å; L2055-L2133 HydrophobicContact CB-CD1 4.17Å; L2055-L2133 HydrophobicContact CB-CD2 4.25Å; L2055-L2133 HydrophobicContact CD1-CD1 4.14Å; E2056-L2133 HydrophobicContact CB-CD2 4.45Å; E2056-L2133 HydrophobicContact CG-CD2 3.67Å; Y2115-L2133 WeakPolarHBondContact CE1-O 3.42Å; V2119-L2133 HydrophobicContact CG1-CB 3.92Å; V2119-L2133 HydrophobicContact CG1-CD1 3.87Å; V2119-L2133 HydrophobicContact CG2-CB 4.33Å; V2119-L2133 HydrophobicContact CG2-CD1 4.46Å; V2130-L2133 HydrophobicContact CG1-CB 4.41Å; V2130-L2133 WeakPolarHBondContact O-CA 3.49Å; V2130-L2133 PolarHBondContact O-N 3.06Å; L2133-A2135 PolarHBondContact O-N 2.93Å |
| 2134 | N | 81.9 | Confident | 72.3 | Confident | 77 Ų | 77 | 75.3 Ų | 75.3 | 41% | 0.412 | 40% | 0.402 | S | S | . | . | trans | -67.4 | 119.2 | -177.2 | -171.1 | -4.5 | 0 | 0 | 0 | 111.5 | V2130 D2136 H2137 | V2130-N2134 PolarHBondContact O-N 3.25Å; N2134-D2136 VanDerWaalsContact OD1-CB 3.31Å; N2134-D2136 WeakPolarHBondContact OD1-CB 3.46Å; N2134-D2136 PolarHBondContact OD1-N 3.48Å; N2134-H2137 PolarHBondContact O-CE1 3.23Å; N2134-H2137 PolarHBondContact O-ND1 3.36Å | ||
| 2135 | A | 82.9 | Confident | 70.2 | Confident | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 41% | 0.406 | C | S | . | . | trans | -100.9 | 0.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | L2059 I2112 Y2115 L2133 H2137 L2138 | L2059-A2135 HydrophobicContact CD1-CB 3.86Å; I2112-A2135 HydrophobicContact CG2-CB 3.79Å; Y2115-A2135 HydrophobicContact CD1-CB 3.95Å; Y2115-A2135 HydrophobicContact CE1-CB 4.19Å; L2133-A2135 PolarHBondContact O-N 2.93Å; A2135-H2137 PolarHBondContact O-N 3.07Å; A2135-L2138 HydrophobicContact CB-CD1 4.38Å; A2135-L2138 WeakPolarHBondContact O-CB 3.15Å; A2135-L2138 PolarHBondContact O-N 3.32Å | ||
| 2136 | D | 74.7 | Confident | 67.8 | Low | 77 Ų | 77 | 76.4 Ų | 76.4 | 41% | 0.412 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -36.4 | -174.1 | -94.3 | -34.8 | 0 | 0 | 0 | 113.2 | N2134 L2138 R2139 | N2134-D2136 VanDerWaalsContact OD1-CB 3.31Å; N2134-D2136 WeakPolarHBondContact OD1-CB 3.46Å; N2134-D2136 PolarHBondContact OD1-N 3.48Å; D2136-L2138 PolarHBondContact O-N 2.81Å; D2136-R2139 PolarHBondContact O-N 3.24Å; D2136-R2139 VanDerWaalsContact O-N 3.09Å |
| 2137 | H | 73.2 | Confident | 65.2 | Low | 92 Ų | 92 | 86.3 Ų | 86.3 | 43% | 0.426 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.8 | -23.5 | 179.7 | 60.9 | -83 | 0 | 0 | 0 | 113.3 | N2134 A2135 G2141 | N2134-H2137 PolarHBondContact O-CE1 3.23Å; N2134-H2137 PolarHBondContact O-ND1 3.36Å; A2135-H2137 PolarHBondContact O-N 3.07Å; H2137-G2141 WeakPolarHBondContact O-CA 3.45Å; H2137-G2141 PolarHBondContact O-N 3.23Å; H2137-G2141 VanDerWaalsContact O-N 3.15Å |
| 2138 | L | 79.7 | Confident | 62.8 | Low | 9 Ų | 9 | 91.6 Ų | 91.6 | 5% | 0.047 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -80.4 | -15.5 | 177.1 | -57 | 174.9 | 0 | 0 | 0 | 112.6 | L2059 L2062 K2063 Y2066 I2112 A2135 D2136 | L2059-L2138 HydrophobicContact CD1-CD1 4.08Å; L2062-L2138 HydrophobicContact CB-CD1 4.46Å; K2063-L2138 HydrophobicContact CG-CD1 3.77Å; K2063-L2138 HydrophobicContact CG-CD2 4.1Å; Y2066-L2138 HydrophobicContact CD1-CD2 4.06Å; Y2066-L2138 HydrophobicContact CD2-CB 4.13Å; Y2066-L2138 HydrophobicContact CD2-CD2 4.29Å; Y2066-L2138 WeakPolarHBondContact CD2-O 3.33Å; Y2066-L2138 WeakPolarHBondContact CE2-O 3.49Å; Y2066-L2138 HydrophobicContact CG-CD2 3.9Å; I2112-L2138 HydrophobicContact CD1-CB 3.67Å; I2112-L2138 HydrophobicContact CG1-CB 4.42Å; A2135-L2138 HydrophobicContact CB-CD1 4.38Å; A2135-L2138 WeakPolarHBondContact O-CB 3.15Å; A2135-L2138 PolarHBondContact O-N 3.32Å; D2136-L2138 PolarHBondContact O-N 2.81Å |
| 2139 | R | 71 | Confident | 60.4 | Low | 51 Ų | 51 | 96.9 Ų | 96.9 | 19% | 0.192 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -78.5 | -40.2 | 176.8 | -92 | 172.2 | 162.8 | 173 | -5.6 | 113.4 | I2112 E2116 D2136 | I2112-R2139 HydrophobicContact CB-CG 4.13Å; I2112-R2139 HydrophobicContact CD1-CG 4.26Å; I2112-R2139 HydrophobicContact CG2-CG 3.74Å; E2116-R2139 IonicContact OE1-CZ 3.23Å; E2116-R2139 IonicContact OE1-NH1 3.69Å; E2116-R2139 PolarHBondContact OE1-NH1 3.38Å; E2116-R2139 IonicContact OE2-CZ 3.16Å; E2116-R2139 IonicContact OE2-NH1 2.7Å; E2116-R2139 PolarHBondContact OE2-NH1 3.09Å; E2116-R2139 IonicContact OE2-NH2 2.7Å; D2136-R2139 PolarHBondContact O-N 3.24Å; D2136-R2139 VanDerWaalsContact O-N 3.09Å |
| 2140 | Y | 66.9 | Low | 58.1 | Low | 142 Ų | 142 | 101 Ų | 101 | 56% | 0.557 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -118.6 | -5.2 | -169.4 | -56.4 | -70 | 0 | 0 | 0 | 114.3 | ||
| 2141 | G | 57.8 | Low | 55.9 | Low | 14 Ų | 14 | 106.4 Ų | 106.4 | 14% | 0.144 | 55% | 0.545 | C | S | . | . | trans | 73.9 | 169.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | H2137 I2143 | H2137-G2141 WeakPolarHBondContact O-CA 3.45Å; H2137-G2141 PolarHBondContact O-N 3.23Å; H2137-G2141 VanDerWaalsContact O-N 3.15Å; G2141-I2143 PolarHBondContact O-N 2.89Å | ||
| 2142 | P | 49.4 | Very low | 53.5 | Low | 115 Ų | 115 | 106.2 Ų | 106.2 | 75% | 0.747 | 54% | 0.543 | S | S | * | . | trans | -66.5 | 128.8 | -177 | 24.7 | -31.4 | 0 | 0 | 0 | 111.7 | S2144 | P2142-S2144 PolarHBondContact O-N 2.92Å; P2142-S2144 VanDerWaalsContact O-N 3.09Å | ||
| 2143 | I | 41.2 | Very low | 50.8 | Low | 156 Ų | 156 | 108.8 Ų | 108.8 | 80% | 0.8 | 56% | 0.559 | S | S | * | * | trans | -72 | 98.5 | 174.2 | -57.1 | 167.5 | 0 | 0 | 0 | 107.8 | G2141 T2145 | G2141-I2143 PolarHBondContact O-N 2.89Å; I2143-T2145 PolarHBondContact O-N 3.01Å; I2143-T2145 VanDerWaalsContact O-N 3.09Å | ||
| 2144 | S | 36.9 | Very low | 47.9 | Very low | 105 Ų | 105 | 113.8 Ų | 113.8 | 73% | 0.734 | 60% | 0.595 | S | S | * | * | trans | -62 | 107.7 | 176 | -70 | 0 | 0 | 0 | 0 | 111.7 | P2142 | P2142-S2144 PolarHBondContact O-N 2.92Å; P2142-S2144 VanDerWaalsContact O-N 3.09Å | ||
| 2145 | T | 37 | Very low | 45.1 | Very low | 129 Ų | 129 | 116.3 Ų | 116.3 | 79% | 0.791 | 61% | 0.613 | S | S | * | * | trans | -95.9 | 84.5 | 163.9 | 52.9 | 0 | 0 | 0 | 0 | 109.3 | I2143 | I2143-T2145 PolarHBondContact O-N 3.01Å; I2143-T2145 VanDerWaalsContact O-N 3.09Å | ||
| 2146 | D | 31.1 | Very low | 42.4 | Very low | 151 Ų | 151 | 121.9 Ų | 121.9 | 81% | 0.807 | 65% | 0.652 | S | S | * | * | trans | -113.8 | 103.6 | 170.5 | -96.2 | -29.4 | 0 | 0 | 0 | 110.2 | ||||
| 2147 | R | 29.8 | Very low | 40 | Very low | 238 Ų | 238 | 123.8 Ų | 123.8 | 90% | 0.898 | 67% | 0.671 | S | S | * | * | trans | -173 | 95.3 | 151.2 | -108.2 | -176.5 | -176.8 | -177.4 | 2.1 | 108.9 | ||||
| 2148 | Q | 28.5 | Very low | 37.7 | Very low | 177 Ų | 177 | 125.4 Ų | 125.4 | 83% | 0.827 | 69% | 0.688 | S | S | * | * | 172.8 | 133.1 | 116.5 | -100.1 | 162.9 | -33.1 | 0 | 0 | 113.2 | |||||
| 2149 | N | 30.7 | Very low | 35 | Very low | 143 Ų | 143 | 131.4 Ų | 131.4 | 77% | 0.765 | 72% | 0.72 | S | S | * | * | trans | 91 | 94.1 | 146.3 | -61.1 | -9.3 | 0 | 0 | 0 | 119.6 | ||||
| 2150 | N | 26.9 | Very low | 32.9 | Very low | 160 Ų | 160 | 134.7 Ų | 134.7 | 86% | 0.856 | 75% | 0.746 | S | S | * | * | trans | -46.1 | 127.8 | 138.7 | -74.8 | -25.7 | 0 | 0 | 0 | 111.4 | ||||
| 2151 | I | 29.4 | Very low | 31 | Very low | 158 Ų | 158 | 135 Ų | 135 | 81% | 0.81 | 76% | 0.757 | S | S | * | * | -176.4 | 106.9 | 126.7 | -84.8 | 151.6 | 0 | 0 | 0 | 108 | |||||
| 2152 | I | 26.5 | Very low | 29.5 | Very low | 141 Ų | 141 | 141.1 Ų | 141.1 | 72% | 0.723 | 79% | 0.785 | S | S | * | * | trans | 41.5 | 114.5 | 138.7 | -52 | 176.5 | 0 | 0 | 0 | 120.4 | ||||
| 2153 | N | 25.4 | Very low | 28.2 | Very low | 146 Ų | 146 | 142.6 Ų | 142.6 | 78% | 0.781 | 79% | 0.786 | S | S | * | * | trans | 41.9 | 115.7 | 142.1 | -58 | -13.4 | 0 | 0 | 0 | 121.3 | ||||
| 2154 | S | 24.7 | Very low | 27.7 | Very low | 108 Ų | 108 | 140.3 Ų | 140.3 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | 156.5 | 116.2 | 103.5 | 51.3 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 2155 | T | 24.4 | Very low | 27.9 | Very low | 130 Ų | 130 | 140.1 Ų | 140.1 | 80% | 0.798 | 78% | 0.78 | S | S | * | * | trans | 50.1 | 127.1 | 141.6 | 52.8 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 2156 | S | 25.3 | Very low | 27.3 | Very low | 118 Ų | 118 | 141.2 Ų | 141.2 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | trans | 78.9 | 87.1 | 142 | 62.2 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 2157 | S | 25.3 | Very low | 27 | Very low | 116 Ų | 116 | 142.9 Ų | 142.9 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | trans | -90.3 | 125.6 | 163.7 | 53.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 2158 | V | 23.5 | Very low | 26.9 | Very low | 127 Ų | 127 | 139.9 Ų | 139.9 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | trans | -145.7 | 135.7 | 164.9 | 172.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 2159 | N | 23.6 | Very low | 26.6 | Very low | 135 Ų | 135 | 138.7 Ų | 138.7 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | trans | 91.3 | 100.7 | 161.6 | -70.5 | -8.7 | 0 | 0 | 0 | 122.3 | ||||
| 2160 | T | 26.8 | Very low | 26.4 | Very low | 120 Ų | 120 | 136.1 Ų | 136.1 | 74% | 0.736 | 76% | 0.757 | S | S | * | * | 35.4 | 110.9 | 116.4 | 62 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 2161 | N | 27.9 | Very low | 26.2 | Very low | 147 Ų | 147 | 139.6 Ų | 139.6 | 79% | 0.786 | 76% | 0.758 | S | S | * | * | trans | -156.6 | 115.7 | 150.5 | -85.3 | -35.8 | 0 | 0 | 0 | 107.3 | ||||
| 2162 | L | 24.4 | Very low | 25.9 | Very low | 143 Ų | 143 | 136.7 Ų | 136.7 | 75% | 0.749 | 75% | 0.752 | S | S | * | * | 70.3 | 105 | 90.8 | -68.3 | 173 | 0 | 0 | 0 | 115.8 | |||||
| 2163 | L | 23.1 | Very low | 25.7 | Very low | 146 Ų | 146 | 134.6 Ų | 134.6 | 76% | 0.764 | 75% | 0.749 | S | S | * | * | 63.3 | 106.9 | 129.1 | -63.7 | 167.2 | 0 | 0 | 0 | 122.3 | |||||
| 2164 | S | 30.2 | Very low | 25.7 | Very low | 108 Ų | 108 | 135.6 Ų | 135.6 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | trans | 68.6 | 164.9 | 132.1 | 77.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 2165 | P | 42.5 | Very low | 25.7 | Very low | 101 Ų | 101 | 136.9 Ų | 136.9 | 66% | 0.656 | 75% | 0.748 | S | S | * | * | cis | -145.5 | 156.7 | 11.9 | 43 | -22.7 | 0 | 0 | 0 | 118.2 | ||||
| 2166 | L | 24 | Very low | 25.7 | Very low | 152 Ų | 152 | 137.6 Ų | 137.6 | 80% | 0.796 | 75% | 0.745 | S | S | * | * | 43.6 | 130.7 | 126.9 | -62.3 | 160.2 | 0 | 0 | 0 | 121.8 | |||||
| 2167 | R | 24.5 | Very low | 25.8 | Very low | 187 Ų | 187 | 137.7 Ų | 137.7 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | 107.4 | 115.2 | 121.2 | -96.5 | -179.8 | -178.5 | 178.5 | 3.6 | 118.9 | |||||
| 2168 | R | 26.8 | Very low | 25.8 | Very low | 174 Ų | 174 | 139.2 Ų | 139.2 | 66% | 0.657 | 74% | 0.74 | S | S | * | * | 57.6 | 120.5 | 122.2 | -77.3 | 178.6 | -174 | 166.8 | -1.2 | 117.7 | |||||
| 2169 | N | 23.6 | Very low | 25.9 | Very low | 152 Ų | 152 | 138.9 Ų | 138.9 | 81% | 0.813 | 74% | 0.738 | S | S | * | * | -168.6 | 105.3 | 106.8 | -86 | -24.5 | 0 | 0 | 0 | 106.2 | |||||
| 2170 | S | 25.9 | Very low | 26 | Very low | 89 Ų | 89 | 136 Ų | 136 | 62% | 0.622 | 74% | 0.741 | S | S | * | * | 45.9 | 91.5 | 67.1 | -46.5 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 2171 | R | 22.9 | Very low | 25.9 | Very low | 233 Ų | 233 | 135.7 Ų | 135.7 | 88% | 0.879 | 74% | 0.738 | S | S | * | * | trans | -177 | 104.8 | 141.8 | -99 | 162.6 | -177.1 | -155 | 0 | 106.7 | ||||
| 2172 | S | 22.3 | Very low | 25.8 | Very low | 98 Ų | 98 | 133.4 Ų | 133.4 | 69% | 0.685 | 74% | 0.74 | S | S | * | * | 60 | 122.2 | 93.2 | 73.2 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 2173 | S | 23 | Very low | 25.9 | Very low | 96 Ų | 96 | 132.1 Ų | 132.1 | 67% | 0.671 | 74% | 0.738 | S | S | * | * | cis | -173.9 | 141.7 | 48.5 | -37.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 2174 | Q | 24.3 | Very low | 26 | Very low | 167 Ų | 167 | 133.1 Ų | 133.1 | 78% | 0.78 | 74% | 0.742 | S | S | * | * | trans | 55.5 | 116.4 | 130.7 | -66.9 | -177.5 | -21.7 | 0 | 0 | 120.4 | ||||
| 2175 | N | 25.1 | Very low | 25.7 | Very low | 135 Ų | 135 | 132 Ų | 132 | 72% | 0.722 | 74% | 0.739 | S | S | * | * | 69.2 | 120.4 | 122.8 | -62.7 | -12.2 | 0 | 0 | 0 | 119.2 | |||||
| 2176 | I | 25.3 | Very low | 24.9 | Very low | 145 Ų | 145 | 135.7 Ų | 135.7 | 74% | 0.744 | 75% | 0.748 | S | S | * | * | trans | 163 | 90.9 | 135.2 | -80.7 | 152.3 | 0 | 0 | 0 | 102.8 | ||||
| 2177 | V | 26.3 | Very low | 24.9 | Very low | 120 Ų | 120 | 134 Ų | 134 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | 32.3 | 81.1 | 81.8 | -169 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 2178 | N | 25 | Very low | 24.9 | Very low | 149 Ų | 149 | 130.6 Ų | 130.6 | 80% | 0.797 | 75% | 0.749 | S | S | * | * | trans | -130.3 | 93.6 | 148.1 | -97.2 | -19.1 | 0 | 0 | 0 | 109 | G2180 | N2178-G2180 PolarHBondContact O-N 3.19Š| ||
| 2179 | T | 25.8 | Very low | 24.7 | Very low | 119 Ų | 119 | 128.1 Ų | 128.1 | 73% | 0.73 | 75% | 0.753 | S | S | * | * | trans | -39.9 | 106.4 | 153.9 | 43.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 2180 | G | 26.5 | Very low | 24.8 | Very low | 76 Ų | 76 | 127.1 Ų | 127.1 | 78% | 0.784 | 76% | 0.755 | S | S | * | * | trans | -127.2 | 50.6 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | N2178 A2182 | N2178-G2180 PolarHBondContact O-N 3.19Å; G2180-A2182 PolarHBondContact O-N 3.5Å | ||
| 2181 | V | 25.5 | Very low | 24.7 | Very low | 112 Ų | 112 | 133.4 Ų | 133.4 | 68% | 0.679 | 77% | 0.765 | S | S | * | * | trans | -72.9 | 93.4 | 174.9 | 175 | 0 | 0 | 0 | 0 | 107.4 | T2183 | V2181-T2183 VanDerWaalsContact C-N 3.26Å; V2181-T2183 HydrophobicContact CG1-CG2 3.63Å; V2181-T2183 PolarHBondContact O-N 3.11Å | ||
| 2182 | A | 25.3 | Very low | 24.8 | Very low | 99 Ų | 99 | 129.4 Ų | 129.4 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | trans | -80.6 | 86.6 | 149.5 | 0 | 0 | 0 | 0 | 0 | 106.7 | G2180 I2184 | G2180-A2182 PolarHBondContact O-N 3.5Å; A2182-I2184 PolarHBondContact O-N 3.49Å | ||
| 2183 | T | 26 | Very low | 25 | Very low | 117 Ų | 117 | 134.2 Ų | 134.2 | 72% | 0.718 | 77% | 0.768 | S | S | * | * | trans | -55.2 | 98 | 171.2 | 7.7 | 0 | 0 | 0 | 0 | 110.1 | V2181 | V2181-T2183 VanDerWaalsContact C-N 3.26Å; V2181-T2183 HydrophobicContact CG1-CG2 3.63Å; V2181-T2183 PolarHBondContact O-N 3.11Å | ||
| 2184 | I | 24.4 | Very low | 25.1 | Very low | 166 Ų | 166 | 135.2 Ų | 135.2 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | trans | -80.9 | 107.8 | 142.3 | -67.5 | 178.1 | 0 | 0 | 0 | 104.9 | A2182 Q2186 | A2182-I2184 PolarHBondContact O-N 3.49Å; I2184-Q2186 PolarHBondContact O-N 2.86Å | ||
| 2185 | A | 25.4 | Very low | 25 | Very low | 84 Ų | 84 | 136.5 Ų | 136.5 | 69% | 0.694 | 78% | 0.778 | S | S | * | * | trans | -52.1 | 107.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S2187 | A2185-S2187 VanDerWaalsContact C-N 3.34Å; A2185-S2187 PolarHBondContact O-N 3.04Å | ||
| 2186 | Q | 24.3 | Very low | 25.2 | Very low | 179 Ų | 179 | 136 Ų | 136 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | trans | -65.2 | 99.4 | 142.6 | -70.1 | 179.6 | -15.7 | 0 | 0 | 106.9 | I2184 T2188 | I2184-Q2186 PolarHBondContact O-N 2.86Å; Q2186-T2188 PolarHBondContact O-N 3.42Å | ||
| 2187 | S | 24 | Very low | 25.1 | Very low | 117 Ų | 117 | 135.3 Ų | 135.3 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -72.7 | 90.4 | 167.2 | -179.7 | 0 | 0 | 0 | 0 | 108.3 | A2185 | A2185-S2187 VanDerWaalsContact C-N 3.34Å; A2185-S2187 PolarHBondContact O-N 3.04Å | ||
| 2188 | T | 25 | Very low | 25.1 | Very low | 115 Ų | 115 | 138 Ų | 138 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | trans | -50.5 | 146.7 | 163.2 | 34.3 | 0 | 0 | 0 | 0 | 112.3 | Q2186 | Q2186-T2188 PolarHBondContact O-N 3.42Š| ||
| 2189 | V | 23.7 | Very low | 25.2 | Very low | 123 Ų | 123 | 136.6 Ų | 136.6 | 75% | 0.745 | 79% | 0.787 | S | S | * | * | trans | -45 | 126.7 | 174.4 | 177.4 | 0 | 0 | 0 | 0 | 111.6 | R2191 | V2189-R2191 PolarHBondContact O-N 3.25Š| ||
| 2190 | P | 24.5 | Very low | 25.2 | Very low | 130 Ų | 130 | 134.5 Ų | 134.5 | 84% | 0.844 | 79% | 0.789 | S | S | * | * | trans | -70.9 | 116.5 | 177.2 | 28.5 | -30.5 | 0 | 0 | 0 | 109.6 | ||||
| 2191 | R | 24 | Very low | 25.1 | Very low | 222 Ų | 222 | 135.9 Ų | 135.9 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | trans | -114 | 133.1 | 169.9 | -99.7 | -174.6 | -178.5 | 168.5 | 1.4 | 108.2 | V2189 | V2189-R2191 PolarHBondContact O-N 3.25Š| ||
| 2192 | I | 24.9 | Very low | 25.1 | Very low | 148 Ų | 148 | 137.1 Ų | 137.1 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | trans | 102.8 | 109.3 | 151.8 | -58.2 | 155.5 | 0 | 0 | 0 | 118.6 | ||||
| 2193 | F | 26.1 | Very low | 25.1 | Very low | 199 Ų | 199 | 141.1 Ų | 141.1 | 87% | 0.873 | 79% | 0.791 | S | S | * | * | trans | 20.1 | 126.8 | 135 | -66.7 | -91 | 0 | 0 | 0 | 121.4 | ||||
| 2194 | S | 25.8 | Very low | 25 | Very low | 118 Ų | 118 | 139.1 Ų | 139.1 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | -161.8 | 135.7 | 132.5 | 42.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 2195 | K | 23.4 | Very low | 25.1 | Very low | 193 Ų | 193 | 136.7 Ų | 136.7 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | trans | -69.5 | 149.6 | 168.8 | -75.4 | 174.8 | 170 | -179.5 | 0 | 110.4 | ||||
| 2196 | P | 27.9 | Very low | 25 | Very low | 124 Ų | 124 | 138.1 Ų | 138.1 | 81% | 0.805 | 80% | 0.796 | S | S | * | * | -138.7 | 157.4 | 123 | 34.2 | -19.5 | 0 | 0 | 0 | 114 | |||||
| 2197 | D | 23.8 | Very low | 25 | Very low | 131 Ų | 131 | 136.6 Ų | 136.6 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | trans | -80.6 | 169.2 | -174.2 | -62.3 | -61.5 | 0 | 0 | 0 | 115 | ||||
| 2198 | H | 27 | Very low | 25 | Very low | 176 Ų | 176 | 142 Ų | 142 | 82% | 0.815 | 80% | 0.795 | S | S | * | * | trans | 100.5 | 110.2 | 155.5 | -66.1 | -57.7 | 0 | 0 | 0 | 121.7 | ||||
| 2199 | S | 25.5 | Very low | 24.9 | Very low | 120 Ų | 120 | 141.9 Ų | 141.9 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | trans | 57.5 | 122.1 | 133.6 | 65 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 2200 | G | 25.6 | Very low | 24.9 | Very low | 75 Ų | 75 | 143.1 Ų | 143.1 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | trans | 142.8 | 101.2 | 152.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 2201 | S | 25.6 | Very low | 24.8 | Very low | 106 Ų | 106 | 146.3 Ų | 146.3 | 74% | 0.741 | 80% | 0.804 | S | S | * | * | trans | 7.8 | 131.2 | 156.5 | 59.6 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 2202 | D | 24 | Very low | 24.8 | Very low | 138 Ų | 138 | 146.1 Ų | 146.1 | 74% | 0.738 | 80% | 0.803 | S | S | * | * | trans | 65.5 | 122.9 | 133 | -68.9 | -25.8 | 0 | 0 | 0 | 123.8 | ||||
| 2203 | H | 25.6 | Very low | 24.7 | Very low | 182 Ų | 182 | 144.2 Ų | 144.2 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | trans | 74.5 | 63.2 | 148 | -59.7 | -41.3 | 0 | 0 | 0 | 119 | ||||
| 2204 | G | 25 | Very low | 24.5 | Very low | 75 Ų | 75 | 144.5 Ų | 144.5 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | -139.6 | 111.2 | 159.3 | 0 | 0 | 0 | 0 | 0 | 111 | S2206 | G2204-S2206 PolarHBondContact O-N 2.87Š| ||
| 2205 | S | 26 | Very low | 24.3 | Very low | 115 Ų | 115 | 147.8 Ų | 147.8 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -57.4 | 119.1 | -179.5 | 48.4 | 0 | 0 | 0 | 0 | 113.7 | I2207 | S2205-I2207 PolarHBondContact O-N 3.4Š| ||
| 2206 | S | 22.8 | Very low | 24.4 | Very low | 114 Ų | 114 | 144.5 Ų | 144.5 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | trans | -70.5 | 107.7 | 171.9 | 179.7 | 0 | 0 | 0 | 0 | 111 | G2204 R2208 | G2204-S2206 PolarHBondContact O-N 2.87Å; S2206-R2208 PolarHBondContact O-N 3.07Å | ||
| 2207 | I | 25.1 | Very low | 24.2 | Very low | 148 Ų | 148 | 144.9 Ų | 144.9 | 76% | 0.759 | 80% | 0.802 | S | S | * | * | trans | -65 | 110.7 | 161.2 | -69.8 | 168.8 | 0 | 0 | 0 | 107.8 | S2205 | S2205-I2207 PolarHBondContact O-N 3.4Š| ||
| 2208 | R | 23.8 | Very low | 24.2 | Very low | 230 Ų | 230 | 142.1 Ų | 142.1 | 87% | 0.868 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 126.8 | 160.2 | -88.5 | -175.9 | 177.8 | 177.6 | 0.4 | 108.9 | S2206 L2210 | S2206-R2208 PolarHBondContact O-N 3.07Å; R2208-L2210 PolarHBondContact O-N 3.41Å |
| 2209 | S | 23.1 | Very low | 24 | Very low | 113 Ų | 113 | 139.7 Ų | 139.7 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -47.1 | 118.4 | 178.3 | 48.1 | 0 | 0 | 0 | 0 | 114.5 | ||
| 2210 | L | 24.3 | Very low | 23.9 | Very low | 149 Ų | 149 | 137.2 Ų | 137.2 | 78% | 0.78 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 123.3 | 152 | -77.6 | 150.1 | 0 | 0 | 0 | 110.7 | R2208 | R2208-L2210 PolarHBondContact O-N 3.41Š|
| 2211 | Q | 21.9 | Very low | 23.7 | Very low | 197 Ų | 197 | 145.5 Ų | 145.5 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | trans | -99.4 | 102.9 | 156.6 | -144.3 | 170.3 | -10.4 | 0 | 0 | 106.7 | ||||
| 2212 | R | 24.5 | Very low | 23.6 | Very low | 218 Ų | 218 | 146.6 Ų | 146.6 | 82% | 0.823 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 122.7 | -169.2 | -76.3 | 176 | 174.1 | -177.5 | -3 | 112.2 | ||
| 2213 | S | 22.2 | Very low | 23.9 | Very low | 107 Ų | 107 | 146 Ų | 146 | 75% | 0.748 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 154.1 | 138.7 | 47.5 | 0 | 0 | 0 | 0 | 109.5 | ||
| 2214 | F | 22.4 | Very low | 23.8 | Very low | 205 Ų | 205 | 145.6 Ų | 145.6 | 90% | 0.899 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 127 | -158.9 | -70.6 | -98.8 | 0 | 0 | 0 | 115.4 | ||
| 2215 | Q | 22 | Very low | 23.7 | Very low | 188 Ų | 188 | 150.5 Ų | 150.5 | 88% | 0.879 | 82% | 0.821 | S | S | * | * | trans | -109.9 | 118.4 | 158.4 | -92.8 | -176.4 | -12.3 | 0 | 0 | 109.1 | ||||
| 2216 | T | 25.2 | Very low | 23.4 | Very low | 124 Ų | 124 | 149.6 Ų | 149.6 | 76% | 0.761 | 82% | 0.815 | S | S | * | * | trans | -148.8 | 121.5 | 160.1 | 43.6 | 0 | 0 | 0 | 0 | 103.5 | ||||
| 2217 | V | 23.9 | Very low | 23.5 | Very low | 132 Ų | 132 | 152 Ų | 152 | 80% | 0.8 | 82% | 0.817 | S | S | * | * | cis | -151.2 | 137.1 | 8.5 | 157.7 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 2218 | G | 22.1 | Very low | 23.3 | Very low | 73 Ų | 73 | 150.8 Ų | 150.8 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | trans | -80.2 | 142.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 2219 | S | 24.2 | Very low | 23.3 | Very low | 124 Ų | 124 | 150.8 Ų | 150.8 | 87% | 0.867 | 82% | 0.818 | S | S | * | * | trans | -162 | 126.8 | 148.1 | -167 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 2220 | G | 22.1 | Very low | 23.3 | Very low | 69 Ų | 69 | 150.6 Ų | 150.6 | 71% | 0.711 | 82% | 0.817 | S | S | * | * | trans | 71 | 101.8 | 147.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | T2222 | G2220-T2222 PolarHBondContact O-N 3.15Š| ||
| 2221 | R | 21.7 | Very low | 23.3 | Very low | 249 Ų | 249 | 148.3 Ų | 148.3 | 94% | 0.94 | 81% | 0.814 | S | S | * | * | trans | -55.7 | 123 | 145 | -80.1 | 178 | 169.6 | -174.8 | -3.5 | 109.2 | ||||
| 2222 | T | 24.5 | Very low | 24 | Very low | 129 Ų | 129 | 144 Ų | 144 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | trans | -153 | 133.1 | 143.6 | 41.1 | 0 | 0 | 0 | 0 | 109.2 | G2220 | G2220-T2222 PolarHBondContact O-N 3.15Š| ||
| 2223 | P | 29.1 | Very low | 24 | Very low | 124 Ų | 124 | 140.8 Ų | 140.8 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | trans | -85 | 139.9 | -178.2 | 34.8 | -30.7 | 0 | 0 | 0 | 110.4 | ||||
| 2224 | L | 24.6 | Very low | 24.1 | Very low | 175 Ų | 175 | 142.5 Ų | 142.5 | 92% | 0.916 | 80% | 0.801 | S | S | * | * | trans | -143.4 | 121 | 164.1 | -93.7 | 163.7 | 0 | 0 | 0 | 109.2 | ||||
| 2225 | E | 21.5 | Very low | 24 | Very low | 178 Ų | 178 | 141.2 Ų | 141.2 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | -71.4 | 156.2 | 179.5 | -69.8 | 174 | 128.4 | 0 | 0 | 113.4 | ||||
| 2226 | S | 20.7 | Very low | 24.2 | Very low | 96 Ų | 96 | 137.7 Ų | 137.7 | 67% | 0.671 | 79% | 0.786 | S | S | * | * | trans | 44.1 | 104.5 | 143.6 | 65.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 2227 | I | 24.6 | Very low | 24 | Very low | 163 Ų | 163 | 139.3 Ų | 139.3 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | trans | -110.7 | 97 | 146.3 | -61.8 | 176.6 | 0 | 0 | 0 | 107.1 | ||||
| 2228 | T | 21.8 | Very low | 24.2 | Very low | 124 Ų | 124 | 138.7 Ų | 138.7 | 76% | 0.761 | 79% | 0.792 | S | S | * | * | trans | -63.8 | 123.3 | 166.2 | 30.2 | 0 | 0 | 0 | 0 | 110.2 | S2230 | T2228-S2230 PolarHBondContact O-N 3.46Š| ||
| 2229 | Y | 23.9 | Very low | 24.3 | Very low | 230 Ų | 230 | 140.5 Ų | 140.5 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | trans | -67.2 | 115.4 | 171.4 | -84.2 | -90.5 | 0 | 0 | 0 | 111.3 | ||||
| 2230 | S | 22.8 | Very low | 24.3 | Very low | 109 Ų | 109 | 142.9 Ų | 142.9 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | trans | -80.1 | 130.9 | 166.4 | 39.1 | 0 | 0 | 0 | 0 | 111.5 | T2228 | T2228-S2230 PolarHBondContact O-N 3.46Š| ||
| 2231 | S | 23.3 | Very low | 24.6 | Very low | 101 Ų | 101 | 146.6 Ų | 146.6 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | trans | -45.5 | 175.9 | 153.8 | 49.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 2232 | P | 36.7 | Very low | 24.8 | Very low | 107 Ų | 107 | 137.6 Ų | 137.6 | 70% | 0.695 | 76% | 0.761 | S | S | * | * | cis | -131.4 | -172.7 | -5.3 | 27.7 | -3.8 | 0 | 0 | 0 | 111.8 | ||||
| 2233 | I | 25.7 | Very low | 24.9 | Very low | 149 Ų | 149 | 138.2 Ų | 138.2 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | 165.2 | 117 | 126.1 | -80 | 154.5 | 0 | 0 | 0 | 110.6 | |||||
| 2234 | N | 23.1 | Very low | 24.7 | Very low | 144 Ų | 144 | 137.6 Ų | 137.6 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | trans | 31.5 | 116.7 | 147.6 | -65.2 | -20.9 | 0 | 0 | 0 | 121.1 | ||||
| 2235 | R | 20.4 | Very low | 25.1 | Very low | 178 Ų | 178 | 135 Ų | 135 | 67% | 0.672 | 75% | 0.754 | S | S | * | * | trans | -54 | 128 | 139.6 | -75.4 | 176.5 | 169.9 | 174.5 | -7.4 | 110 | ||||
| 2236 | S | 25.9 | Very low | 25.4 | Very low | 113 Ų | 113 | 135.3 Ų | 135.3 | 79% | 0.79 | 76% | 0.755 | S | S | * | * | trans | -121.6 | 115.5 | 156.1 | 53.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 2237 | N | 21 | Very low | 26.2 | Very low | 159 Ų | 159 | 136.2 Ų | 136.2 | 85% | 0.85 | 76% | 0.759 | S | S | * | * | trans | -63.5 | 137.4 | 170 | -68.6 | -27.7 | 0 | 0 | 0 | 110.2 | ||||
| 2238 | S | 28.6 | Very low | 26.6 | Very low | 119 Ų | 119 | 134.1 Ų | 134.1 | 83% | 0.832 | 76% | 0.756 | S | S | * | * | trans | -152.4 | 127.4 | 153.1 | 58.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 2239 | S | 23.4 | Very low | 26.9 | Very low | 111 Ų | 111 | 133.1 Ų | 133.1 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | trans | -74.3 | 143.8 | -167.8 | 36.1 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 2240 | F | 25.4 | Very low | 27.3 | Very low | 173 Ų | 173 | 130.1 Ų | 130.1 | 76% | 0.759 | 76% | 0.759 | S | S | * | * | trans | -18.2 | 136.5 | 135.9 | -93.5 | -75.9 | 0 | 0 | 0 | 116.6 | E1396 | E1396-F2240 HydrophobicContact CG-CB 3.96Å; E1396-F2240 VanDerWaalsContact OE1-C 3.22Å; E1396-F2240 WeakPolarHBondContact OE1-CB 3.1Å; E1396-F2240 VanDerWaalsContact OE1-CD1 3.24Å; E1396-F2240 WeakPolarHBondContact OE1-CD1 3.38Å | ||
| 2241 | N | 27.7 | Very low | 27.7 | Very low | 148 Ų | 148 | 130.3 Ų | 130.3 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | trans | -149.6 | 152.2 | 167.3 | -111.7 | -10.8 | 0 | 0 | 0 | 110.7 | E1396 | E1396-N2241 WeakPolarHBondContact OE1-CA 3.47Å; E1396-N2241 PolarHBondContact OE1-N 3.46Å; E1396-N2241 WeakPolarHBondContact OE2-CA 3.26Å | ||
| 2242 | I | 26.7 | Very low | 27.9 | Very low | 60 Ų | 60 | 133.2 Ų | 133.2 | 31% | 0.308 | 77% | 0.766 | S | S | . | * | trans | -105.8 | 164.2 | -149.3 | -126.5 | 174 | 0 | 0 | 0 | 115 | E1396 H1397 | E1396-I2242 HydrophobicContact CB-CD1 3.4Å; E1396-I2242 HydrophobicContact CB-CG1 3.89Å; E1396-I2242 HydrophobicContact CG-CD1 4.45Å; E1396-I2242 HydrophobicContact CG-CG1 4.48Å; E1396-I2242 VanDerWaalsContact O-CD1 3.22Å; E1396-I2242 WeakPolarHBondContact O-CD1 3.21Å; E1396-I2242 VanDerWaalsContact OE2-CB 3.28Å; E1396-I2242 WeakPolarHBondContact OE2-CB 3.35Å; E1396-I2242 WeakPolarHBondContact OE2-CG1 3.32Å; E1396-I2242 PolarHBondContact OE2-N 3.2Å; H1397-I2242 WeakPolarHBondContact CD2-CD1 3.45Å; H1397-I2242 WeakPolarHBondContact NE2-CD1 3.31Å | ||
| 2243 | L | 26.5 | Very low | 27.4 | Very low | 142 Ų | 142 | 139.1 Ų | 139.1 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | trans | 67.1 | 122.4 | 154.8 | -74.2 | 163.7 | 0 | 0 | 0 | 123.1 | ||||
| 2244 | S | 25.5 | Very low | 27.6 | Very low | 111 Ų | 111 | 137.7 Ų | 137.7 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | trans | 49.5 | 104.4 | 131.3 | -55.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 2245 | S | 32.4 | Very low | 27.8 | Very low | 119 Ų | 119 | 135.4 Ų | 135.4 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | trans | -140.5 | 128.2 | 139.6 | 57.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 2246 | E | 27.2 | Very low | 28 | Very low | 185 Ų | 185 | 134.7 Ų | 134.7 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 125.2 | 175.9 | -165.2 | 170.3 | -165.2 | 0 | 0 | 110.3 | ||
| 2247 | P | 38.1 | Very low | 28 | Very low | 115 Ų | 115 | 135.9 Ų | 135.9 | 75% | 0.747 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 136.3 | -178.9 | 29.8 | -30.4 | 0 | 0 | 0 | 110.5 | ||
| 2248 | P | 32.5 | Very low | 28.1 | Very low | 120 Ų | 120 | 137.6 Ų | 137.6 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 157.2 | -164.2 | 30.9 | -35.5 | 0 | 0 | 0 | 113.3 | L2250 | P2248-L2250 PolarHBondContact O-N 3.23Š|
| 2249 | A | 28.3 | Very low | 28.4 | Very low | 103 Ų | 103 | 137.1 Ų | 137.1 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -47.2 | 118.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 2250 | L | 31.2 | Very low | 28.4 | Very low | 166 Ų | 166 | 139.3 Ų | 139.3 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -67 | 127 | 171 | -86.4 | 155.2 | 0 | 0 | 0 | 109.2 | P2248 | P2248-L2250 PolarHBondContact O-N 3.23Š|
| 2251 | P | 32.3 | Very low | 28.3 | Very low | 113 Ų | 113 | 140.4 Ų | 140.4 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -69 | 140.6 | -175.8 | 27.5 | -32.3 | 0 | 0 | 0 | 111 | R2253 | P2251-R2253 PolarHBondContact O-N 3.09Š|
| 2252 | D | 27.6 | Very low | 28.1 | Very low | 163 Ų | 163 | 141.3 Ų | 141.3 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | trans | -42.7 | 121 | 177.2 | -75.7 | -45.7 | 0 | 0 | 0 | 112.1 | P2254 | D2252-P2254 VanDerWaalsContact O-CD 3.3Å; D2252-P2254 WeakPolarHBondContact O-CD 3.06Å | ||
| 2253 | R | 26.3 | Very low | 28 | Very low | 230 Ų | 230 | 144.9 Ų | 144.9 | 87% | 0.868 | 81% | 0.809 | S | S | * | * | trans | -83.9 | 109.4 | 176.4 | -166.5 | -179.1 | -164.9 | -179.6 | 4.4 | 108 | P2251 A2255 | P2251-R2253 PolarHBondContact O-N 3.09Å; R2253-A2255 PolarHBondContact O-N 3.41Å | ||
| 2254 | P | 30.2 | Very low | 27.7 | Very low | 120 Ų | 120 | 145.7 Ų | 145.7 | 78% | 0.779 | 81% | 0.814 | S | S | * | * | trans | -71.6 | 131.2 | 172.5 | -8.5 | 26 | 0 | 0 | 0 | 108.6 | D2252 | D2252-P2254 VanDerWaalsContact O-CD 3.3Å; D2252-P2254 WeakPolarHBondContact O-CD 3.06Å | ||
| 2255 | A | 27.1 | Very low | 27.7 | Very low | 96 Ų | 96 | 147.2 Ų | 147.2 | 79% | 0.793 | 82% | 0.819 | S | S | * | * | trans | -57.4 | 135.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | R2253 T2257 | R2253-A2255 PolarHBondContact O-N 3.41Å; A2255-T2257 PolarHBondContact O-N 3.13Å | ||
| 2256 | L | 24.1 | Very low | 27.3 | Very low | 163 Ų | 163 | 146.9 Ų | 146.9 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | trans | -68.3 | 115.5 | 167.2 | -77.5 | 154 | 0 | 0 | 0 | 110.4 | ||||
| 2257 | T | 25.9 | Very low | 27.2 | Very low | 137 Ų | 137 | 143.8 Ų | 143.8 | 84% | 0.84 | 82% | 0.815 | S | S | * | * | trans | -106.2 | 114.2 | 151.4 | 33.6 | 0 | 0 | 0 | 0 | 109 | A2255 | A2255-T2257 PolarHBondContact O-N 3.13Š| ||
| 2258 | K | 23.6 | Very low | 26.5 | Very low | 195 Ų | 195 | 141.9 Ų | 141.9 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | trans | -61.8 | 165.2 | 156.1 | -66.3 | 177.5 | 175.2 | 177.2 | 0 | 108.8 | ||||
| 2259 | P | 34.1 | Very low | 26 | Very low | 109 Ų | 109 | 146.7 Ų | 146.7 | 71% | 0.708 | 82% | 0.819 | S | S | * | * | cis | -139.8 | 161.1 | 8.6 | 34.6 | -12.9 | 0 | 0 | 0 | 117.2 | ||||
| 2260 | I | 23.7 | Very low | 25.9 | Very low | 158 Ų | 158 | 147.4 Ų | 147.4 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | trans | 41.4 | 105.8 | 139.6 | -50.7 | 164.7 | 0 | 0 | 0 | 118.3 | ||||
| 2261 | Q | 23.2 | Very low | 25.6 | Very low | 196 Ų | 196 | 145.2 Ų | 145.2 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | trans | -156.9 | 138.1 | 131.8 | -109.4 | 174.5 | 11.3 | 0 | 0 | 110.6 | ||||
| 2262 | M | 23.4 | Very low | 25.2 | Very low | 166 Ų | 166 | 144.8 Ų | 144.8 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -72.3 | 133.3 | -166.5 | -76.1 | -139.7 | -80.3 | 0 | 0 | 114.9 | ||||
| 2263 | I | 24.2 | Very low | 24.8 | Very low | 136 Ų | 136 | 145.6 Ų | 145.6 | 70% | 0.697 | 81% | 0.808 | S | S | * | * | 41.5 | 105.1 | 122.4 | -48.8 | 174 | 0 | 0 | 0 | 117.2 | |||||
| 2264 | N | 21.6 | Very low | 24.7 | Very low | 158 Ų | 158 | 141.6 Ų | 141.6 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | -167.6 | 96.9 | 123.5 | -101.6 | -15.5 | 0 | 0 | 0 | 108.9 | |||||
| 2265 | V | 24.1 | Very low | 24.4 | Very low | 143 Ų | 143 | 141.3 Ų | 141.3 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | trans | -130.1 | 116.2 | 159.7 | -179.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 2266 | S | 23.7 | Very low | 24.2 | Very low | 112 Ų | 112 | 143.2 Ų | 143.2 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | trans | -61 | 134.9 | 179.8 | 38.1 | 0 | 0 | 0 | 0 | 112.1 | G2268 | S2266-G2268 PolarHBondContact O-N 3.09Š| ||
| 2267 | S | 25.3 | Very low | 24.2 | Very low | 121 Ų | 121 | 141.5 Ų | 141.5 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | trans | -62.2 | 114.2 | 168.7 | 50.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 2268 | G | 23.7 | Very low | 24 | Very low | 74 Ų | 74 | 141.7 Ų | 141.7 | 76% | 0.763 | 79% | 0.789 | S | S | * | * | trans | -90.1 | 113.8 | 159.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | S2266 | S2266-G2268 PolarHBondContact O-N 3.09Š| ||
| 2269 | R | 23 | Very low | 24 | Very low | 221 Ų | 221 | 137.8 Ų | 137.8 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | trans | -69.4 | 127.5 | -176.7 | -177.2 | -175.6 | -168.9 | 180 | 3.6 | 112.7 | ||||
| 2270 | P | 26.2 | Very low | 23.6 | Very low | 118 Ų | 118 | 140 Ų | 140 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | trans | -94.9 | 119.2 | 157.3 | 5.5 | 14.5 | 0 | 0 | 0 | 110.1 | T2272 | P2270-T2272 PolarHBondContact O-N 3.44Š| ||
| 2271 | T | 23.7 | Very low | 23.6 | Very low | 120 Ų | 120 | 139 Ų | 139 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | trans | -35.8 | 112.9 | 164.2 | 40.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 2272 | T | 23.7 | Very low | 24.6 | Very low | 105 Ų | 105 | 135 Ų | 135 | 64% | 0.644 | 78% | 0.783 | S | S | * | * | 66.8 | 87.8 | 93.6 | 61.7 | 0 | 0 | 0 | 0 | 115.2 | P2270 | P2270-T2272 PolarHBondContact O-N 3.44Š| |||
| 2273 | L | 20.9 | Very low | 24.5 | Very low | 180 Ų | 180 | 133.3 Ų | 133.3 | 94% | 0.942 | 78% | 0.782 | S | S | * | * | trans | -90.1 | 113.3 | 147.9 | -85.9 | 157.9 | 0 | 0 | 0 | 107.3 | ||||
| 2274 | N | 22.4 | Very low | 24.4 | Very low | 145 Ų | 145 | 132.5 Ų | 132.5 | 78% | 0.775 | 78% | 0.783 | S | S | * | * | trans | -112.3 | 108.3 | 169 | -103.7 | 1.7 | 0 | 0 | 0 | 109.2 | ||||
| 2275 | T | 24.8 | Very low | 24.3 | Very low | 115 Ų | 115 | 130 Ų | 130 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | 2.2 | 136.4 | 130.8 | 43.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 2276 | T | 23.8 | Very low | 24.2 | Very low | 135 Ų | 135 | 128.1 Ų | 128.1 | 83% | 0.828 | 77% | 0.771 | S | S | * | * | trans | -159.7 | 111.7 | 132 | 30.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 2277 | N | 22.6 | Very low | 24.1 | Very low | 127 Ų | 127 | 130.5 Ų | 130.5 | 68% | 0.679 | 77% | 0.773 | S | S | * | * | 51.4 | 106.3 | 89.8 | -80.7 | -0.2 | 0 | 0 | 0 | 114.4 | |||||
| 2278 | N | 23.3 | Very low | 23.9 | Very low | 142 Ų | 142 | 129 Ų | 129 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | 159.2 | 142.4 | 95.2 | -96.1 | -14.4 | 0 | 0 | 0 | 115.1 | |||||
| 2279 | S | 22.8 | Very low | 23.7 | Very low | 112 Ų | 112 | 131.8 Ų | 131.8 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | trans | 65.8 | 120.9 | 139.6 | 64 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 2280 | I | 26.1 | Very low | 23.8 | Very low | 157 Ų | 157 | 127 Ų | 127 | 81% | 0.805 | 76% | 0.761 | S | S | * | * | trans | -58.4 | 138.7 | 165.9 | -63.1 | 154.4 | 0 | 0 | 0 | 113 | ||||
| 2281 | T | 23.9 | Very low | 23.5 | Very low | 135 Ų | 135 | 125.9 Ų | 125.9 | 83% | 0.828 | 76% | 0.755 | S | S | * | * | trans | -152.7 | 134.7 | 137.4 | 42.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 2282 | P | 42.8 | Very low | 23.5 | Very low | 113 Ų | 113 | 127 Ų | 127 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | trans | -101.3 | 133.5 | 174.6 | 35.2 | -26.1 | 0 | 0 | 0 | 111.6 | ||||
| 2283 | V | 22.6 | Very low | 23.5 | Very low | 131 Ų | 131 | 129.8 Ų | 129.8 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | trans | -149.9 | 124.4 | 163 | 176 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 2284 | T | 20.7 | Very low | 23.7 | Very low | 119 Ų | 119 | 128.5 Ų | 128.5 | 73% | 0.73 | 76% | 0.756 | S | S | * | * | trans | -1.6 | 147.3 | 154.5 | 60 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 2285 | S | 20.5 | Very low | 23.7 | Very low | 105 Ų | 105 | 129.7 Ų | 129.7 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | 130.3 | 109.1 | 124 | 76.3 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 2286 | S | 20.9 | Very low | 23.8 | Very low | 104 Ų | 104 | 129.8 Ų | 129.8 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | 30.8 | 131.5 | 131.3 | 57 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 2287 | I | 23.2 | Very low | 23.9 | Very low | 161 Ų | 161 | 127.3 Ų | 127.3 | 83% | 0.826 | 77% | 0.767 | S | S | * | * | trans | 177 | 96.1 | 143.4 | -90 | 148.8 | 0 | 0 | 0 | 105.4 | ||||
| 2288 | S | 20.3 | Very low | 23.8 | Very low | 91 Ų | 91 | 126.5 Ų | 126.5 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | 75.9 | 110.2 | 88.1 | 73.3 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 2289 | T | 20.6 | Very low | 23.8 | Very low | 131 Ų | 131 | 124.6 Ų | 124.6 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | 45.6 | 134 | 130.4 | 56.8 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 2290 | V | 23.3 | Very low | 23.7 | Very low | 122 Ų | 122 | 131.5 Ų | 131.5 | 74% | 0.739 | 78% | 0.778 | S | S | * | * | trans | 170.1 | 98 | 134.7 | 159.5 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 2291 | S | 20.4 | Very low | 23.5 | Very low | 93 Ų | 93 | 127.3 Ų | 127.3 | 65% | 0.65 | 77% | 0.774 | S | S | * | * | 50 | 121.3 | 88.6 | 69.2 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 2292 | D | 24.5 | Very low | 23.5 | Very low | 143 Ų | 143 | 131.3 Ų | 131.3 | 77% | 0.765 | 78% | 0.779 | S | S | * | * | trans | 170.4 | 102.3 | 138 | -80.7 | -17.6 | 0 | 0 | 0 | 108.4 | ||||
| 2293 | H | 22.6 | Very low | 22.4 | Very low | 165 Ų | 165 | 132.9 Ų | 132.9 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | 61.7 | 109 | 95.2 | -85.9 | -66 | 0 | 0 | 0 | 114.3 | |||||
| 2294 | D | 25.7 | Very low | 22.4 | Very low | 152 Ų | 152 | 133.9 Ų | 133.9 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | 170.8 | 117.9 | 117.8 | -86.4 | -25 | 0 | 0 | 0 | 112.1 | |||||
| 2295 | N | 23.4 | Very low | 22.4 | Very low | 170 Ų | 170 | 133 Ų | 133 | 91% | 0.909 | 77% | 0.774 | S | S | * | * | trans | -149.6 | 106.8 | 164.9 | -149.7 | 7 | 0 | 0 | 0 | 108.6 | ||||
| 2296 | P | 26.3 | Very low | 22.5 | Very low | 118 Ų | 118 | 134.1 Ų | 134.1 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | trans | -133.9 | 135.1 | 165.5 | 33.7 | -16.6 | 0 | 0 | 0 | 114.9 | ||||
| 2297 | G | 24.7 | Very low | 23.6 | Very low | 83 Ų | 83 | 133.8 Ų | 133.8 | 86% | 0.856 | 77% | 0.772 | S | S | * | * | trans | 115.3 | 140.5 | 151.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 2298 | S | 21.9 | Very low | 23.6 | Very low | 109 Ų | 109 | 132.5 Ų | 132.5 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | cis | -175.4 | 148.6 | -13.1 | 178.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 2299 | S | 23 | Very low | 23.7 | Very low | 103 Ų | 103 | 134.2 Ų | 134.2 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | trans | 76.4 | 109.1 | 156.7 | 70 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 2300 | R | 20.9 | Very low | 23.8 | Very low | 256 Ų | 256 | 134.8 Ų | 134.8 | 97% | 0.966 | 77% | 0.767 | S | S | * | * | 72.6 | 124.6 | 85.9 | -121.3 | -179.5 | 178.3 | 178.7 | -0.7 | 112.4 | |||||
| 2301 | G | 21.1 | Very low | 23.7 | Very low | 70 Ų | 70 | 132.7 Ų | 132.7 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | cis | 174.5 | 152.7 | -1.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 2302 | K | 23.9 | Very low | 23.8 | Very low | 218 Ų | 218 | 135.8 Ų | 135.8 | 95% | 0.948 | 76% | 0.761 | S | S | * | * | trans | -156.2 | 123.9 | 151 | -120.4 | 176 | -177.1 | 179 | 0 | 109.2 | ||||
| 2303 | I | 19.8 | Very low | 23.6 | Very low | 146 Ų | 146 | 134.4 Ų | 134.4 | 75% | 0.749 | 76% | 0.759 | S | S | * | * | trans | -90.7 | 146.1 | -169.3 | -69.3 | 162.6 | 0 | 0 | 0 | 109.4 | T2305 | I2303-T2305 HydrophobicContact CG2-CG2 4.35Š| ||
| 2304 | I | 22.5 | Very low | 23.7 | Very low | 153 Ų | 153 | 133.2 Ų | 133.2 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | trans | 172.1 | 85.9 | 133.6 | -81.8 | 154.4 | 0 | 0 | 0 | 104.3 | ||||
| 2305 | T | 21.5 | Very low | 23.4 | Very low | 99 Ų | 99 | 134.4 Ų | 134.4 | 61% | 0.607 | 76% | 0.764 | S | S | * | * | 58.1 | 96.5 | 101 | 53.2 | 0 | 0 | 0 | 0 | 113.2 | I2303 | I2303-T2305 HydrophobicContact CG2-CG2 4.35Š| |||
| 2306 | T | 22.6 | Very low | 23.5 | Very low | 129 Ų | 129 | 134.9 Ų | 134.9 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | 93.4 | 165.5 | 72.2 | 61.4 | 0 | 0 | 0 | 0 | 112 | |||||
| 2307 | P | 44 | Very low | 23.3 | Very low | 98 Ų | 98 | 136.6 Ų | 136.6 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | -135.3 | -165.2 | -101.9 | 29.1 | -1 | 0 | 0 | 0 | 110.7 | |||||
| 2308 | N | 23.3 | Very low | 23.3 | Very low | 133 Ų | 133 | 140.2 Ų | 140.2 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | trans | 158.8 | 107.8 | 133.5 | -83.7 | 3.8 | 0 | 0 | 0 | 106.9 | ||||
| 2309 | D | 21.8 | Very low | 23.3 | Very low | 127 Ų | 127 | 142.6 Ų | 142.6 | 68% | 0.679 | 76% | 0.756 | S | S | * | * | 92.6 | 137.1 | 65.9 | -88.2 | -17.8 | 0 | 0 | 0 | 111.5 | |||||
| 2310 | D | 22.2 | Very low | 23.3 | Very low | 143 Ų | 143 | 145 Ų | 145 | 77% | 0.765 | 76% | 0.761 | S | S | * | * | trans | 83.4 | 137.1 | 153.4 | -65.1 | -35.3 | 0 | 0 | 0 | 120.1 | ||||
| 2311 | S | 20.8 | Very low | 23.5 | Very low | 78 Ų | 78 | 138.6 Ų | 138.6 | 55% | 0.545 | 76% | 0.756 | S | S | . | * | cis | 175.6 | 162.1 | -31.8 | 42.8 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 2312 | H | 22.5 | Very low | 23.5 | Very low | 158 Ų | 158 | 142.4 Ų | 142.4 | 73% | 0.731 | 76% | 0.76 | S | S | * | * | trans | 77 | 96 | 151.6 | -67.2 | -53.1 | 0 | 0 | 0 | 120.5 | ||||
| 2313 | T | 21.7 | Very low | 23.4 | Very low | 115 Ų | 115 | 137.2 Ų | 137.2 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | 38.9 | 120.1 | 110.7 | 50.2 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 2314 | T | 23.1 | Very low | 23.6 | Very low | 139 Ų | 139 | 136.1 Ų | 136.1 | 85% | 0.853 | 75% | 0.75 | S | S | * | * | trans | -152.9 | 103 | 133 | 12 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 2315 | Q | 20.6 | Very low | 23.5 | Very low | 177 Ų | 177 | 136.1 Ų | 136.1 | 83% | 0.827 | 75% | 0.752 | S | S | * | * | trans | -61.5 | 138.8 | 152.8 | -71.1 | 173.1 | -23.9 | 0 | 0 | 107.8 | ||||
| 2316 | H | 25.2 | Very low | 23.7 | Very low | 181 Ų | 181 | 142.1 Ų | 142.1 | 84% | 0.838 | 77% | 0.765 | S | S | * | * | trans | -160.1 | 150.2 | 139 | -101.7 | -63.4 | 0 | 0 | 0 | 111.8 | ||||
| 2317 | H | 22.9 | Very low | 23.8 | Very low | 154 Ų | 154 | 143.5 Ų | 143.5 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | trans | -71.1 | 150.7 | -160 | -83.8 | -93.9 | 0 | 0 | 0 | 116.8 | ||||
| 2318 | Q | 23.2 | Very low | 23.1 | Very low | 158 Ų | 158 | 143.8 Ų | 143.8 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | trans | 5.8 | 132.8 | 133.7 | -68.4 | 171.6 | -26.7 | 0 | 0 | 118.2 | ||||
| 2319 | N | 22.8 | Very low | 23.2 | Very low | 159 Ų | 159 | 144.6 Ų | 144.6 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | -171.7 | 145.8 | 112.6 | -99.3 | -26 | 0 | 0 | 0 | 114.4 | |||||
| 2320 | N | 23.2 | Very low | 23.4 | Very low | 154 Ų | 154 | 146.8 Ų | 146.8 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | trans | -55.8 | 154.6 | 174.7 | -73.6 | -32.8 | 0 | 0 | 0 | 115.2 | ||||
| 2321 | S | 24 | Very low | 23.7 | Very low | 122 Ų | 122 | 145 Ų | 145 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | trans | -167.7 | 158 | 133.6 | 49.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 2322 | N | 21.6 | Very low | 23.9 | Very low | 150 Ų | 150 | 151.1 Ų | 151.1 | 80% | 0.802 | 81% | 0.81 | S | S | * | * | trans | -93.8 | 166.2 | -157.4 | -71 | -40.3 | 0 | 0 | 0 | 116 | ||||
| 2323 | S | 21.8 | Very low | 24.1 | Very low | 108 Ų | 108 | 152.1 Ų | 152.1 | 76% | 0.755 | 81% | 0.812 | S | S | * | * | trans | 70.9 | 136 | 140.6 | 72.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 2324 | V | 23.3 | Very low | 24.1 | Very low | 123 Ų | 123 | 154.1 Ų | 154.1 | 75% | 0.745 | 81% | 0.813 | S | S | * | * | -177.5 | 131 | 109 | 156.4 | 0 | 0 | 0 | 0 | 109.7 | Y2326 | V2324-Y2326 HydrophobicContact CG1-CD2 4.33Å; V2324-Y2326 HydrophobicContact CG1-CE2 4.49Å | |||
| 2325 | D | 22.3 | Very low | 24.2 | Very low | 153 Ų | 153 | 154.7 Ų | 154.7 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -71.3 | 153.7 | 170.7 | -72.2 | -53.1 | 0 | 0 | 0 | 113.3 | ||||
| 2326 | Y | 24.9 | Very low | 24.3 | Very low | 226 Ų | 226 | 153.7 Ų | 153.7 | 89% | 0.886 | 80% | 0.804 | S | S | * | * | trans | -146 | 118.4 | 152 | -106.3 | -82.3 | 0 | 0 | 0 | 112.3 | V2324 | V2324-Y2326 HydrophobicContact CG1-CD2 4.33Å; V2324-Y2326 HydrophobicContact CG1-CE2 4.49Å | ||
| 2327 | N | 24.3 | Very low | 24.1 | Very low | 157 Ų | 157 | 149.8 Ų | 149.8 | 84% | 0.84 | 80% | 0.798 | S | S | * | * | trans | -89.6 | 149 | 165.4 | -87.4 | -35.1 | 0 | 0 | 0 | 110.4 | ||||
| 2328 | A | 28.6 | Very low | 25 | Very low | 105 Ų | 105 | 148.2 Ų | 148.2 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | trans | -155.6 | 106.8 | 154.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 2329 | D | 25.8 | Very low | 25 | Very low | 150 Ų | 150 | 147.4 Ų | 147.4 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | trans | -69.2 | 151.5 | 165.6 | -86.1 | -47.7 | 0 | 0 | 0 | 112.4 | ||||
| 2330 | N | 27.1 | Very low | 25 | Very low | 173 Ų | 173 | 146.6 Ų | 146.6 | 93% | 0.925 | 80% | 0.801 | S | S | * | * | trans | -156.4 | 126.3 | 141.1 | -102.6 | -31.8 | 0 | 0 | 0 | 112.5 | ||||
| 2331 | S | 27.5 | Very low | 25.1 | Very low | 104 Ų | 104 | 145 Ų | 145 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | -113.2 | 152.5 | -169.7 | 51.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 2332 | K | 26.5 | Very low | 25.2 | Very low | 207 Ų | 207 | 144.2 Ų | 144.2 | 90% | 0.9 | 79% | 0.792 | S | S | * | * | trans | -161.2 | 94.8 | 159.4 | -107.4 | 166.9 | -171.1 | -178.6 | 0 | 113.7 | ||||
| 2333 | K | 24.9 | Very low | 25.3 | Very low | 180 Ų | 180 | 149.2 Ų | 149.2 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | trans | 42.9 | 114.7 | 135.2 | -68 | -176.2 | 176 | -178 | 0 | 122.2 | ||||
| 2334 | Q | 22.1 | Very low | 25.5 | Very low | 157 Ų | 157 | 153.4 Ų | 153.4 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | 84.3 | 127.1 | 97 | -76.7 | 179.1 | -29.5 | 0 | 0 | 114.3 | |||||
| 2335 | I | 25.4 | Very low | 25.5 | Very low | 151 Ų | 151 | 157.1 Ų | 157.1 | 77% | 0.774 | 81% | 0.813 | S | S | * | * | -164.9 | 126.8 | 75.2 | -77.4 | 167.4 | 0 | 0 | 0 | 111.9 | |||||
| 2336 | H | 23.4 | Very low | 25.7 | Very low | 155 Ų | 155 | 155.1 Ų | 155.1 | 72% | 0.718 | 81% | 0.811 | S | S | * | * | trans | 36 | 113.7 | 142.3 | -68.4 | -82.3 | 0 | 0 | 0 | 122.4 | ||||
| 2337 | S | 21.6 | Very low | 25.7 | Very low | 100 Ų | 100 | 151.6 Ų | 151.6 | 70% | 0.699 | 81% | 0.808 | S | S | * | * | 100.6 | 152.8 | 64.5 | 68.8 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 2338 | P | 40.6 | Very low | 25.9 | Very low | 120 Ų | 120 | 149.2 Ų | 149.2 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | cis | -130.5 | 162 | -45.4 | 36.5 | -19.9 | 0 | 0 | 0 | 113.7 | ||||
| 2339 | I | 22.9 | Very low | 25.7 | Very low | 141 Ų | 141 | 151.4 Ų | 151.4 | 72% | 0.723 | 80% | 0.798 | S | S | * | * | trans | -79.3 | 138 | 172 | -70.6 | 162.3 | 0 | 0 | 0 | 110.2 | T2341 | I2339-T2341 HydrophobicContact CG2-CG2 3.68Š| ||
| 2340 | V | 23.9 | Very low | 25.7 | Very low | 143 Ų | 143 | 151 Ų | 151 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | trans | -107.6 | 109.9 | 156.9 | 174.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 2341 | T | 25.7 | Very low | 25.8 | Very low | 120 Ų | 120 | 151.3 Ų | 151.3 | 74% | 0.736 | 80% | 0.801 | S | S | * | * | trans | -113.3 | 133.4 | 172.7 | 24.1 | 0 | 0 | 0 | 0 | 109.1 | I2339 | I2339-T2341 HydrophobicContact CG2-CG2 3.68Š| ||
| 2342 | S | 24.4 | Very low | 25.7 | Very low | 106 Ų | 106 | 157.3 Ų | 157.3 | 74% | 0.741 | 81% | 0.808 | S | S | * | * | trans | -161.3 | 104.2 | 156.6 | 63.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 2343 | R | 24.5 | Very low | 25.7 | Very low | 255 Ų | 255 | 154.2 Ų | 154.2 | 96% | 0.962 | 80% | 0.801 | S | S | * | * | -172.6 | 130.5 | 119.3 | -111.7 | 178.9 | 179.9 | 164.8 | 0.4 | 110.5 | |||||
| 2344 | F | 26.2 | Very low | 25.7 | Very low | 195 Ų | 195 | 157.6 Ų | 157.6 | 86% | 0.855 | 81% | 0.809 | S | S | * | * | trans | -92.2 | 136.6 | -165 | -88.7 | -105.2 | 0 | 0 | 0 | 112 | ||||
| 2345 | E | 22.9 | Very low | 25.8 | Very low | 202 Ų | 202 | 156.1 Ų | 156.1 | 94% | 0.944 | 82% | 0.816 | S | S | * | * | trans | -119.1 | 119 | 146.6 | -80.4 | -175.1 | 163.8 | 0 | 0 | 107.2 | ||||
| 2346 | S | 26.8 | Very low | 25.7 | Very low | 111 Ų | 111 | 160.5 Ų | 160.5 | 78% | 0.776 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 136.6 | -170.5 | 50.2 | 0 | 0 | 0 | 0 | 112.4 | ||
| 2347 | N | 24.9 | Very low | 25.8 | Very low | 151 Ų | 151 | 159 Ų | 159 | 81% | 0.807 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 129.7 | -171.5 | -155.3 | -0.1 | 0 | 0 | 0 | 112.6 | ||
| 2348 | P | 28.5 | Very low | 26 | Very low | 107 Ų | 107 | 162.5 Ų | 162.5 | 70% | 0.695 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -99.3 | 120.8 | 175.5 | 34.1 | -25.3 | 0 | 0 | 0 | 110.8 | ||
| 2349 | N | 24.6 | Very low | 25.3 | Very low | 152 Ų | 152 | 161.8 Ų | 161.8 | 81% | 0.813 | 83% | 0.832 | S | S | * | * | trans | -169.4 | 106.2 | 160.4 | -95.8 | -35.1 | 0 | 0 | 0 | 111.5 | ||||
| 2350 | T | 26 | Very low | 25.5 | Very low | 141 Ų | 141 | 160.4 Ų | 160.4 | 87% | 0.865 | 83% | 0.832 | S | S | * | * | 176.4 | 96.8 | 129.8 | 31.2 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 2351 | I | 29.2 | Very low | 25.5 | Very low | 179 Ų | 179 | 156.2 Ų | 156.2 | 92% | 0.918 | 81% | 0.805 | S | S | * | * | trans | -136.5 | 119.4 | 152.5 | -62.5 | -177 | 0 | 0 | 0 | 107.7 | ||||
| 2352 | R | 25 | Very low | 25.6 | Very low | 230 Ų | 230 | 153.9 Ų | 153.9 | 87% | 0.868 | 79% | 0.792 | S | S | * | * | trans | -122.6 | 116.7 | -178.8 | -147.2 | -178.1 | -167.4 | -177.1 | 4.2 | 108.5 | ||||
| 2353 | N | 27.4 | Very low | 25.6 | Very low | 143 Ų | 143 | 154.2 Ų | 154.2 | 77% | 0.765 | 79% | 0.791 | S | S | * | * | trans | 48.9 | 108.2 | 139.9 | -59.9 | -9.9 | 0 | 0 | 0 | 120.8 | ||||
| 2354 | R | 23.1 | Very low | 25.6 | Very low | 251 Ų | 251 | 147.7 Ų | 147.7 | 95% | 0.947 | 78% | 0.78 | S | S | * | * | trans | -171.3 | 111.1 | 135.5 | -98.5 | 173.8 | -168.1 | -157.8 | 4 | 106.3 | ||||
| 2355 | S | 24.8 | Very low | 25.5 | Very low | 126 Ų | 126 | 143 Ų | 143 | 88% | 0.881 | 77% | 0.769 | S | S | * | * | -161.6 | 159.4 | 90.9 | 43.8 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 2356 | R | 23.6 | Very low | 25.6 | Very low | 242 Ų | 242 | 138.4 Ų | 138.4 | 91% | 0.913 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 151 | -159.3 | -82.1 | 171 | 168.7 | 173.5 | -5.6 | 115.5 | ||
| 2357 | P | 26.2 | Very low | 25.5 | Very low | 123 Ų | 123 | 143.2 Ų | 143.2 | 80% | 0.799 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 138.3 | -179.3 | 34.4 | -32.8 | 0 | 0 | 0 | 112.4 | ||
| 2358 | L | 24.6 | Very low | 25.5 | Very low | 174 Ų | 174 | 141.3 Ų | 141.3 | 91% | 0.911 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 137.1 | 169.1 | -93.5 | 150.9 | 0 | 0 | 0 | 110.5 | ||
| 2359 | P | 26.3 | Very low | 25.2 | Very low | 105 Ų | 105 | 141.5 Ų | 141.5 | 68% | 0.682 | 75% | 0.753 | S | S | * | * | trans | -91.8 | 174.1 | -168 | 1.1 | 22.7 | 0 | 0 | 0 | 113.6 | ||||
| 2360 | P | 26.7 | Very low | 25.1 | Very low | 113 Ų | 113 | 138.9 Ų | 138.9 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | trans | -104.9 | 172.3 | -145.5 | 41.4 | -36.8 | 0 | 0 | 0 | 116.3 | ||||
| 2361 | L | 24.6 | Very low | 25 | Very low | 54 Ų | 54 | 139.7 Ų | 139.7 | 28% | 0.283 | 74% | 0.744 | S | S | . | * | trans | -123 | 88.1 | -142.4 | -81.7 | -174.4 | 0 | 0 | 0 | 120.2 | S1384 W1385 D1386 | S1384-L2361 WeakPolarHBondContact CB-O 3.25Å; S1384-L2361 WeakPolarHBondContact O-CA 3.2Å; S1384-L2361 WeakPolarHBondContact O-CB 3.38Å; S1384-L2361 PolarHBondContact OG-O 3.06Å; W1385-L2361 CarbonylContact O-C 3.54Å; W1385-L2361 WeakPolarHBondContact O-CA 3.45Å; W1385-L2361 WeakPolarHBondContact O-CB 3.47Å; W1385-L2361 WeakPolarHBondContact O-CD2 3.41Å; D1386-L2361 HydrophobicContact CB-CD1 4.48Å; D1386-L2361 HydrophobicContact CB-CD2 3.09Å; D1386-L2361 HydrophobicContact CB-CG 4.17Å; D1386-L2361 WeakPolarHBondContact O-CD1 3.33Å; D1386-L2361 WeakPolarHBondContact O-CD2 3.49Å | ||
| 2362 | P | 26.7 | Very low | 24.7 | Very low | 72 Ų | 72 | 137.4 Ų | 137.4 | 47% | 0.468 | 74% | 0.739 | S | S | . | * | trans | -71.4 | 172.9 | -171.6 | -20.6 | 30 | 0 | 0 | 0 | 119.5 | D1386 | D1386-P2362 VanDerWaalsContact OD1-O 3.13Å; D1386-P2362 WeakPolarHBondContact OD2-CA 3.33Å; D1386-P2362 WeakPolarHBondContact OD2-CB 3.43Å; D1386-P2362 WeakPolarHBondContact OD2-CD 3.3Å | ||
| 2363 | P | 25.8 | Very low | 24.6 | Very low | 113 Ų | 113 | 137.2 Ų | 137.2 | 73% | 0.734 | 74% | 0.738 | S | S | * | * | trans | -109.9 | 148.6 | -167.3 | 37.8 | -28.4 | 0 | 0 | 0 | 116.7 | ||||
| 2364 | T | 23.2 | Very low | 24.3 | Very low | 117 Ų | 117 | 135.6 Ų | 135.6 | 72% | 0.718 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 126.6 | -176.8 | 49.2 | 0 | 0 | 0 | 0 | 116 | ||
| 2365 | P | 25.3 | Very low | 24.3 | Very low | 97 Ų | 97 | 132.4 Ų | 132.4 | 63% | 0.63 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 149 | 158.8 | 31.8 | -21.5 | 0 | 0 | 0 | 113 | A1245 | A1245-P2365 HydrophobicContact CB-CG 3.97Š|
| 2366 | I | 24 | Very low | 24.3 | Very low | 105 Ų | 105 | 134.2 Ų | 134.2 | 54% | 0.538 | 73% | 0.729 | S | S | . | * | P | Polyproline II helix | trans | -88.7 | 138.8 | -175.1 | -68 | 170.6 | 0 | 0 | 0 | 111.8 | V1749 | V1749-I2366 HydrophobicContact CG1-CD1 3.92Š|
| 2367 | R | 24.7 | Very low | 24.5 | Very low | 213 Ų | 213 | 127.3 Ų | 127.3 | 80% | 0.804 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 156.2 | -177.1 | -75.3 | 170.3 | 161.6 | 169.7 | -5.2 | 117 | ||
| 2368 | S | 24.5 | Very low | 24.5 | Very low | 111 Ų | 111 | 129.1 Ų | 129.1 | 78% | 0.776 | 72% | 0.719 | S | S | * | * | -157.2 | 110.9 | 124.1 | 56.2 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 2369 | S | 22.6 | Very low | 25 | Very low | 111 Ų | 111 | 126.6 Ų | 126.6 | 78% | 0.776 | 71% | 0.711 | S | S | * | * | trans | 21.4 | 138.9 | 149.5 | 55.6 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 2370 | S | 23.9 | Very low | 25.2 | Very low | 97 Ų | 97 | 128 Ų | 128 | 68% | 0.678 | 72% | 0.721 | S | S | * | * | cis | -173 | 119.7 | 14.8 | 41.2 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 2371 | I | 22.8 | Very low | 25.3 | Very low | 158 Ų | 158 | 130.8 Ų | 130.8 | 81% | 0.81 | 72% | 0.723 | S | S | * | * | 61.9 | 108.3 | 104.3 | -58.4 | 166.1 | 0 | 0 | 0 | 113.1 | |||||
| 2372 | T | 22.6 | Very low | 25.5 | Very low | 131 Ų | 131 | 133.9 Ų | 133.9 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | -161.4 | 128.2 | 98.2 | 25.6 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 2373 | R | 22.2 | Very low | 25.5 | Very low | 226 Ų | 226 | 138.5 Ų | 138.5 | 85% | 0.853 | 75% | 0.751 | S | S | * | * | trans | 92.8 | 106.5 | 136.5 | -105.9 | -176.3 | 169 | 165.2 | -2.1 | 122.2 | ||||
| 2374 | T | 22.6 | Very low | 25.6 | Very low | 108 Ų | 108 | 141.1 Ų | 141.1 | 66% | 0.663 | 75% | 0.753 | S | S | * | * | 64.6 | 99.9 | 127.8 | 51.2 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 2375 | E | 22.9 | Very low | 25.8 | Very low | 184 Ų | 184 | 143.7 Ų | 143.7 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | 58.2 | 115.1 | 79.1 | -71.7 | -165.3 | 162.1 | 0 | 0 | 114.8 | |||||
| 2376 | N | 25.1 | Very low | 25.9 | Very low | 165 Ų | 165 | 148.4 Ų | 148.4 | 88% | 0.882 | 77% | 0.772 | S | S | * | * | trans | -152.5 | 132.6 | 132.8 | -107.2 | -28.9 | 0 | 0 | 0 | 112.7 | ||||
| 2377 | S | 27.1 | Very low | 26 | Very low | 96 Ų | 96 | 151.7 Ų | 151.7 | 67% | 0.671 | 79% | 0.786 | S | S | * | * | trans | -53.9 | 167.5 | -178.7 | 60.7 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 2378 | I | 26.3 | Very low | 26 | Very low | 161 Ų | 161 | 149.6 Ų | 149.6 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | -179.1 | 146.7 | 115.4 | -85.8 | 156.3 | 0 | 0 | 0 | 113.3 | |||||
| 2379 | T | 36.1 | Very low | 26.2 | Very low | 122 Ų | 122 | 151.7 Ų | 151.7 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | -81.6 | 169.7 | -173 | 44.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 2380 | P | 30.3 | Very low | 27 | Very low | 135 Ų | 135 | 151.8 Ų | 151.8 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | -151.3 | 171.9 | 121.1 | 33.7 | -12.6 | 0 | 0 | 0 | 118.2 | |||||
| 2381 | H | 27 | Very low | 27.1 | Very low | 170 Ų | 170 | 155.2 Ų | 155.2 | 79% | 0.787 | 80% | 0.798 | S | S | * | * | trans | -107 | 150.7 | -160.4 | -95.8 | -73.8 | 0 | 0 | 0 | 118.6 | ||||
| 2382 | H | 29.9 | Very low | 27.2 | Very low | 120 Ų | 120 | 152.8 Ų | 152.8 | 56% | 0.556 | 80% | 0.795 | S | S | * | * | trans | 30.8 | 136.2 | 140.4 | -81.1 | -46.2 | 0 | 0 | 0 | 127.2 | ||||
| 2383 | H | 27.5 | Very low | 27.3 | Very low | 168 Ų | 168 | 154.5 Ų | 154.5 | 78% | 0.778 | 80% | 0.799 | S | S | * | * | -173.2 | 168.3 | 108.4 | -108 | -71.4 | 0 | 0 | 0 | 115.7 | |||||
| 2384 | Q | 26.5 | Very low | 27.5 | Very low | 168 Ų | 168 | 148.9 Ų | 148.9 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | trans | -106.2 | 165.9 | -149.7 | -84.4 | 178.6 | -27.4 | 0 | 0 | 119.2 | ||||
| 2385 | L | 28.5 | Very low | 27.6 | Very low | 172 Ų | 172 | 152 Ų | 152 | 90% | 0.901 | 81% | 0.805 | S | S | * | * | trans | -78.3 | 160.3 | 174.4 | -76.1 | 147 | 0 | 0 | 0 | 117.4 | ||||
| 2386 | K | 25.9 | Very low | 27.6 | Very low | 195 Ų | 195 | 146.8 Ų | 146.8 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | trans | -154.5 | 164.2 | 147.3 | -120.7 | -176.9 | -176.5 | -175.3 | 0 | 114 | ||||
| 2387 | Q | 27 | Very low | 27.6 | Very low | 175 Ų | 175 | 142.6 Ų | 142.6 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -90.4 | 162.4 | -146.3 | -65.2 | 164.1 | -44.9 | 0 | 0 | 119.3 | ||||
| 2388 | I | 25.3 | Very low | 27.4 | Very low | 168 Ų | 168 | 145.8 Ų | 145.8 | 86% | 0.862 | 81% | 0.805 | S | S | * | * | trans | -132.3 | 144.5 | 157.4 | -69.4 | 175 | 0 | 0 | 0 | 109.1 | ||||
| 2389 | N | 27.7 | Very low | 27.4 | Very low | 155 Ų | 155 | 144 Ų | 144 | 83% | 0.829 | 80% | 0.801 | S | S | * | * | trans | -120.1 | 160.9 | 179.4 | -109.3 | -6.6 | 0 | 0 | 0 | 112.7 | ||||
| 2390 | P | 40.7 | Very low | 26.8 | Very low | 113 Ų | 113 | 146.5 Ų | 146.5 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | trans | -108.5 | 169.6 | -166.6 | 40.3 | -31.2 | 0 | 0 | 0 | 115 | ||||
| 2391 | I | 24.5 | Very low | 26.4 | Very low | 169 Ų | 169 | 147.3 Ų | 147.3 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | trans | -129.6 | 137.4 | 166.4 | -67.7 | 175.5 | 0 | 0 | 0 | 110.3 | ||||
| 2392 | S | 25 | Very low | 26.3 | Very low | 107 Ų | 107 | 144.8 Ų | 144.8 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | trans | -99.6 | 152.1 | 175.1 | 43.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 2393 | N | 24.4 | Very low | 26 | Very low | 167 Ų | 167 | 146.3 Ų | 146.3 | 89% | 0.893 | 82% | 0.82 | S | S | * | * | trans | -145.8 | 141.6 | 156.9 | -107.8 | -15 | 0 | 0 | 0 | 111.7 | ||||
| 2394 | S | 27 | Very low | 25.8 | Very low | 108 Ų | 108 | 147.5 Ų | 147.5 | 76% | 0.755 | 83% | 0.826 | S | S | * | * | trans | -91.6 | 151.7 | -171.1 | 50.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 2395 | I | 25 | Very low | 25.7 | Very low | 174 Ų | 174 | 146.1 Ų | 146.1 | 89% | 0.892 | 83% | 0.829 | S | S | * | * | trans | -129.1 | 130.9 | 159.5 | -66.5 | 177.9 | 0 | 0 | 0 | 108.6 | ||||
| 2396 | G | 23.2 | Very low | 25.6 | Very low | 74 Ų | 74 | 142.6 Ų | 142.6 | 76% | 0.763 | 83% | 0.825 | S | S | * | * | trans | -84.8 | 164.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 2397 | G | 24.3 | Very low | 25.7 | Very low | 77 Ų | 77 | 139 Ų | 139 | 79% | 0.794 | 82% | 0.822 | S | S | * | * | trans | -87.2 | 171.7 | 175 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 2398 | I | 24 | Very low | 25.7 | Very low | 164 Ų | 164 | 136.3 Ų | 136.3 | 84% | 0.841 | 82% | 0.819 | S | S | * | * | trans | -137.9 | 124.1 | 160.2 | -65.5 | -177.8 | 0 | 0 | 0 | 108.4 | ||||
| 2399 | T | 25.4 | Very low | 25.6 | Very low | 123 Ų | 123 | 135.9 Ų | 135.9 | 76% | 0.755 | 82% | 0.818 | S | S | * | * | trans | -67 | 143.2 | 167 | 43.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 2400 | L | 23 | Very low | 25.7 | Very low | 174 Ų | 174 | 134.6 Ų | 134.6 | 91% | 0.911 | 82% | 0.818 | S | S | * | * | trans | -140.3 | 119.7 | 151.7 | -89.8 | 171 | 0 | 0 | 0 | 111.2 | ||||
| 2401 | N | 23.2 | Very low | 24.8 | Very low | 153 Ų | 153 | 137 Ų | 137 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -63.3 | 148.8 | 169.6 | -74.7 | -31.7 | 0 | 0 | 0 | 112.2 | ||||
| 2402 | S | 23.8 | Very low | 24.8 | Very low | 116 Ų | 116 | 139.1 Ų | 139.1 | 81% | 0.811 | 82% | 0.816 | S | S | * | * | trans | -161.3 | 99.2 | 136.9 | 58.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 2403 | N | 23.8 | Very low | 24.7 | Very low | 153 Ų | 153 | 142.9 Ų | 142.9 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | 16.1 | 116.8 | 148.3 | -67.4 | -13.1 | 0 | 0 | 0 | 120.4 | ||||
| 2404 | E | 22.9 | Very low | 24.7 | Very low | 192 Ų | 192 | 140.8 Ų | 140.8 | 90% | 0.897 | 81% | 0.813 | S | S | * | * | trans | -57 | 136 | 146.5 | -67.3 | 171.2 | 134.7 | 0 | 0 | 111.8 | ||||
| 2405 | T | 26 | Very low | 24.6 | Very low | 139 Ų | 139 | 146 Ų | 146 | 85% | 0.853 | 82% | 0.822 | S | S | * | * | trans | -123 | 108.9 | 151.9 | 31.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 2406 | A | 24.9 | Very low | 24.6 | Very low | 98 Ų | 98 | 143.6 Ų | 143.6 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | trans | -75.9 | 139.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 2407 | P | 29.6 | Very low | 24.6 | Very low | 121 Ų | 121 | 144.5 Ų | 144.5 | 79% | 0.786 | 81% | 0.81 | S | S | * | * | trans | -106.1 | 147.8 | 154.9 | 33.5 | -23.4 | 0 | 0 | 0 | 111.2 | ||||
| 2408 | P | 26.3 | Very low | 24.5 | Very low | 117 Ų | 117 | 145.8 Ų | 145.8 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | trans | -92.8 | 147.7 | -163.1 | 36 | -34.5 | 0 | 0 | 0 | 115 | ||||
| 2409 | L | 23 | Very low | 24.4 | Very low | 160 Ų | 160 | 142.4 Ų | 142.4 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | trans | 9.8 | 121.7 | 143.5 | -70.5 | 156.6 | 0 | 0 | 0 | 118.5 | ||||
| 2410 | P | 28.9 | Very low | 24.4 | Very low | 128 Ų | 128 | 143.8 Ų | 143.8 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | trans | -98.9 | 121.5 | 145.6 | 31.1 | -20.5 | 0 | 0 | 0 | 110.5 | ||||
| 2411 | E | 23.1 | Very low | 24.4 | Very low | 162 Ų | 162 | 139.2 Ų | 139.2 | 76% | 0.757 | 79% | 0.786 | S | S | * | * | trans | -66.4 | 136.2 | 174.4 | -76.9 | -172.1 | 138.6 | 0 | 0 | 113.4 | ||||
| 2412 | R | 24.3 | Very low | 24.4 | Very low | 214 Ų | 214 | 137.5 Ų | 137.5 | 81% | 0.808 | 78% | 0.781 | S | S | * | * | 62.9 | 117.1 | 119.3 | -150.8 | 179.4 | -158.3 | 178.5 | 3.8 | 117.4 | |||||
| 2413 | K | 23.7 | Very low | 24.6 | Very low | 187 Ų | 187 | 137.7 Ų | 137.7 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | -175.1 | 116.2 | 121.6 | -99.9 | 160.6 | -173.5 | -177.9 | 0 | 114.4 | |||||
| 2414 | T | 23.6 | Very low | 25.1 | Very low | 123 Ų | 123 | 136.7 Ų | 136.7 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | trans | 63.9 | 99.4 | 132.2 | 57.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 2415 | K | 23.9 | Very low | 25 | Very low | 218 Ų | 218 | 133.5 Ų | 133.5 | 95% | 0.948 | 77% | 0.773 | S | S | * | * | trans | -110.2 | 114.8 | 148 | -91.6 | -176.2 | 176.4 | 178.8 | 0 | 109.9 | ||||
| 2416 | T | 25.2 | Very low | 25 | Very low | 123 Ų | 123 | 132.9 Ų | 132.9 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | trans | -78.6 | 114.7 | 170.6 | 38 | 0 | 0 | 0 | 0 | 111 | ||||
| 2417 | S | 23 | Very low | 25.9 | Very low | 93 Ų | 93 | 133.8 Ų | 133.8 | 65% | 0.65 | 77% | 0.766 | S | S | * | * | 57.3 | 105.7 | 118.6 | 71.1 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 2418 | S | 23 | Very low | 25.7 | Very low | 104 Ų | 104 | 133.2 Ų | 133.2 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | 76.4 | 129.7 | 94.5 | 74.7 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 2419 | S | 22.7 | Very low | 26.5 | Very low | 92 Ų | 92 | 133.9 Ų | 133.9 | 64% | 0.643 | 77% | 0.77 | S | S | * | * | cis | 163.5 | 166.7 | 28 | 39.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 2420 | I | 24.5 | Very low | 26.6 | Very low | 152 Ų | 152 | 129.8 Ų | 129.8 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | trans | 94 | 109.7 | 137.8 | -79.8 | 156 | 0 | 0 | 0 | 119 | ||||
| 2421 | A | 23.9 | Very low | 26.3 | Very low | 78 Ų | 78 | 135 Ų | 135 | 65% | 0.645 | 77% | 0.769 | S | S | * | * | 76.5 | 150.3 | 119.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 2422 | T | 23.4 | Very low | 26.4 | Very low | 118 Ų | 118 | 135.8 Ų | 135.8 | 72% | 0.724 | 77% | 0.773 | S | S | * | * | cis | -174.3 | 145.7 | 2 | 13.5 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 2423 | T | 27.4 | Very low | 26.4 | Very low | 119 Ų | 119 | 131.6 Ų | 131.6 | 73% | 0.73 | 77% | 0.772 | S | S | * | * | trans | 52.8 | 132 | 146.4 | 58.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 2424 | P | 33.6 | Very low | 26.4 | Very low | 132 Ų | 132 | 132.3 Ų | 132.3 | 86% | 0.857 | 78% | 0.778 | S | S | * | * | -147.7 | 151.5 | 92.7 | 31.4 | -11.4 | 0 | 0 | 0 | 115.6 | |||||
| 2425 | V | 21.8 | Very low | 26.4 | Very low | 126 Ų | 126 | 130.2 Ų | 130.2 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | trans | -113.8 | 152.5 | 175.8 | 170.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 2426 | T | 24.5 | Very low | 26.5 | Very low | 126 Ų | 126 | 126.2 Ų | 126.2 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | trans | 91.1 | 151.2 | 169 | 69 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 2427 | P | 44.5 | Very low | 26.4 | Very low | 116 Ų | 116 | 127.5 Ų | 127.5 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | cis | -135.4 | 170.6 | -32.6 | 30.9 | -10.8 | 0 | 0 | 0 | 113.9 | ||||
| 2428 | S | 25.2 | Very low | 26.6 | Very low | 109 Ų | 109 | 129.5 Ų | 129.5 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | trans | -60.1 | 179.2 | 169.5 | 18.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 2429 | P | 43.9 | Very low | 26.6 | Very low | 131 Ų | 131 | 129.8 Ų | 129.8 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | cis | -137.2 | 173.1 | -34.8 | 36.9 | -19.5 | 0 | 0 | 0 | 113.5 | ||||
| 2430 | G | 24.4 | Very low | 27 | Very low | 75 Ų | 75 | 130.9 Ų | 130.9 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | trans | 143.8 | 81.8 | 152 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 2431 | R | 23.6 | Very low | 27 | Very low | 236 Ų | 236 | 128.7 Ų | 128.7 | 89% | 0.891 | 79% | 0.788 | S | S | * | * | trans | 36.5 | 109.9 | 134.9 | -150.6 | -175.2 | -163.2 | -171.1 | 4.5 | 119.3 | ||||
| 2432 | Q | 24.8 | Very low | 27.2 | Very low | 179 Ų | 179 | 134.7 Ų | 134.7 | 84% | 0.836 | 80% | 0.8 | S | S | * | * | -176.9 | 139.9 | 108.2 | -99 | 179.4 | 3.4 | 0 | 0 | 112.6 | |||||
| 2433 | T | 23.3 | Very low | 27.4 | Very low | 127 Ų | 127 | 136.5 Ų | 136.5 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | trans | -45.8 | 138.2 | 178 | 45.2 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 2434 | Q | 23.9 | Very low | 27.4 | Very low | 201 Ų | 201 | 141 Ų | 141 | 94% | 0.939 | 82% | 0.815 | S | S | * | * | trans | -169.1 | 131.9 | 132 | -108 | 173.3 | 9.5 | 0 | 0 | 111.6 | ||||
| 2435 | G | 23.5 | Very low | 27.1 | Very low | 80 Ų | 80 | 143.8 Ų | 143.8 | 83% | 0.825 | 84% | 0.837 | S | S | * | * | trans | 84.1 | 91.3 | 147.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 2436 | V | 25.7 | Very low | 27.4 | Very low | 134 Ų | 134 | 144.7 Ų | 144.7 | 81% | 0.812 | 84% | 0.841 | S | S | * | * | trans | -77.4 | 137.7 | 160 | 169.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 2437 | D | 24.9 | Very low | 27.5 | Very low | 150 Ų | 150 | 145.6 Ų | 145.6 | 80% | 0.802 | 85% | 0.845 | S | S | * | * | trans | -155.5 | 121.6 | 148.2 | -88.2 | -27.6 | 0 | 0 | 0 | 110.5 | ||||
| 2438 | D | 26.3 | Very low | 26.6 | Very low | 135 Ų | 135 | 147.3 Ų | 147.3 | 72% | 0.722 | 85% | 0.85 | S | S | * | * | trans | 69 | 100.9 | 139.4 | -66.4 | -12.5 | 0 | 0 | 0 | 124.6 | ||||
| 2439 | S | 23.9 | Very low | 26.7 | Very low | 109 Ų | 109 | 149.5 Ų | 149.5 | 76% | 0.762 | 86% | 0.855 | S | S | * | * | 54.7 | 117.6 | 119.2 | 70.5 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 2440 | S | 31.1 | Very low | 25.6 | Very low | 115 Ų | 115 | 150.7 Ų | 150.7 | 80% | 0.804 | 86% | 0.855 | S | S | * | * | trans | -147.7 | 115.3 | 139.8 | 49.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 2441 | S | 23.9 | Very low | 25.7 | Very low | 106 Ų | 106 | 155.7 Ų | 155.7 | 74% | 0.741 | 86% | 0.86 | S | S | * | * | trans | -78.9 | 142.2 | 176.7 | 46.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 2442 | F | 28.6 | Very low | 25.8 | Very low | 205 Ų | 205 | 150 Ų | 150 | 90% | 0.899 | 86% | 0.858 | S | S | * | * | trans | -112.6 | 116.4 | 171.3 | -103.6 | -89.3 | 0 | 0 | 0 | 110.1 | ||||
| 2443 | D | 26.1 | Very low | 25.9 | Very low | 155 Ų | 155 | 147.8 Ų | 147.8 | 83% | 0.829 | 86% | 0.86 | S | S | * | * | trans | -80.2 | 141.4 | -179.7 | -81.3 | -40.6 | 0 | 0 | 0 | 112.7 | ||||
| 2444 | F | 28.7 | Very low | 26.1 | Very low | 215 Ų | 215 | 149.5 Ų | 149.5 | 94% | 0.943 | 87% | 0.867 | S | S | * | * | trans | -99 | 128.2 | 166.2 | -89.2 | -92.4 | 0 | 0 | 0 | 109.4 | ||||
| 2445 | S | 27.2 | Very low | 26.3 | Very low | 189 Ų | 189 | 144.8 Ų | 144.8 | 100% | 1.322 | 86% | 0.86 | S | S | * | * | trans | -113.3 | 0 | 161.6 | 64.1 | 0 | 0 | 0 | 0 | 110 |
Retrieved 2,445 of 2,445 residues in 3785.6 ms
(Link to these results)