| 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 | E | 32.9 | Very low | 46.1 | Very low | 248 Ų | 248 | 135.5 Ų | 135.5 | 100% | 1.159 | 77% | 0.765 | S | S | * | * | 0 | 118.3 | 0 | -72.2 | 153.8 | 95.2 | 0 | 0 | 108.5 | |||||
| 2 | C | 36.8 | Very low | 47.2 | Very low | 125 Ų | 125 | 135.1 Ų | 135.1 | 85% | 0.845 | 75% | 0.752 | S | S | * | * | trans | -72.1 | 136.8 | 169.6 | -98 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 3 | T | 37.7 | Very low | 48.1 | Very low | 105 Ų | 105 | 130.9 Ų | 130.9 | 64% | 0.644 | 73% | 0.728 | S | S | * | * | cis | -168.1 | 114.5 | 14 | 29.1 | 0 | 0 | 0 | 0 | 106 | ||||
| 4 | E | 42.6 | Very low | 48.9 | Very low | 204 Ų | 204 | 128.4 Ų | 128.4 | 95% | 0.953 | 71% | 0.711 | S | S | * | * | trans | -95.7 | 77.1 | 159.6 | -65.4 | -170.4 | 103.1 | 0 | 0 | 107.4 | ||||
| 5 | R | 47.9 | Very low | 49.7 | Very low | 227 Ų | 227 | 127.9 Ų | 127.9 | 86% | 0.857 | 70% | 0.699 | S | S | * | * | trans | -99.2 | 98.2 | 172.5 | -93 | 172.3 | 94.5 | 165.1 | 3.1 | 109.5 | ||||
| 6 | A | 44 | Very low | 50.6 | Low | 92 Ų | 92 | 124.4 Ų | 124.4 | 76% | 0.76 | 69% | 0.687 | S | S | * | * | trans | 56.4 | 91.4 | 138.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | G8 | A6-G8 VanDerWaalsContact C-N 3.28Å; A6-G8 PolarHBondContact O-N 3.41Å | ||
| 7 | L | 50.6 | Low | 51.9 | Low | 188 Ų | 188 | 123.5 Ų | 123.5 | 98% | 0.984 | 68% | 0.68 | S | S | * | * | trans | -51.2 | 89.7 | 152 | -67.6 | 157.8 | 0 | 0 | 0 | 110.1 | ||||
| 8 | G | 49.9 | Very low | 53.7 | Low | 65 Ų | 65 | 119.6 Ų | 119.6 | 67% | 0.67 | 66% | 0.655 | S | S | * | * | trans | -131.8 | 21.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112 | A6 S10 | A6-G8 VanDerWaalsContact C-N 3.28Å; A6-G8 PolarHBondContact O-N 3.41Å; G8-S10 PolarHBondContact O-N 3.19Å; G8-S10 VanDerWaalsContact O-N 3.11Å | ||
| 9 | C | 49.3 | Very low | 55.6 | Low | 85 Ų | 85 | 117.6 Ų | 117.6 | 57% | 0.574 | 64% | 0.638 | S | S | * | * | trans | -67.4 | 110.4 | 176.9 | -65.2 | 0 | 0 | 0 | 0 | 108.3 | D13 | C9-D13 WeakPolarHBondContact CA-OD2 3.39Å; C9-D13 HydrophobicContact CB-CB 3.75Å | ||
| 10 | S | 57.3 | Low | 57.3 | Low | 53 Ų | 53 | 112.1 Ų | 112.1 | 37% | 0.371 | 61% | 0.608 | S | S | . | * | trans | -58.7 | 160.8 | 169.5 | -173.1 | 0 | 0 | 0 | 0 | 108.8 | G8 E12 D13 L14 | G8-S10 PolarHBondContact O-N 3.19Å; G8-S10 VanDerWaalsContact O-N 3.11Å; S10-E12 WeakPolarHBondContact CB-OE2 3.35Å; S10-E12 PolarHBondContact O-N 2.93Å; S10-E12 PolarHBondContact OG-OE2 3.25Å; S10-D13 PolarHBondContact N-OD2 3.02Å; S10-D13 WeakPolarHBondContact O-CB 3.43Å; S10-D13 PolarHBondContact O-N 3.34Å; S10-L14 PolarHBondContact O-N 3.4Å | ||
| 11 | V | 58.6 | Low | 58.8 | Low | 99 Ų | 99 | 114 Ų | 114 | 60% | 0.6 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -53 | -23.1 | 171.6 | 178.2 | 0 | 0 | 0 | 0 | 111.2 | K15 | V11-K15 WeakPolarHBondContact O-CG 3.44Å; V11-K15 PolarHBondContact O-N 3.45Å |
| 12 | E | 58.9 | Low | 61.5 | Low | 130 Ų | 130 | 104.1 Ų | 104.1 | 61% | 0.607 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -70.5 | -39.6 | 173.2 | -64.1 | 147.6 | 108.2 | 0 | 0 | 113.4 | S10 L14 K15 S16 | S10-E12 WeakPolarHBondContact CB-OE2 3.35Å; S10-E12 PolarHBondContact O-N 2.93Å; S10-E12 PolarHBondContact OG-OE2 3.25Å; E12-L14 VanDerWaalsContact C-N 3.33Å; E12-L14 PolarHBondContact O-N 3.37Å; E12-K15 WeakPolarHBondContact O-CB 3.5Å; E12-K15 PolarHBondContact O-N 2.91Å; E12-K15 VanDerWaalsContact O-N 3.13Å; E12-S16 PolarHBondContact O-N 3.41Å; E12-S16 PolarHBondContact O-OG 3.08Å |
| 13 | D | 58.7 | Low | 64 | Low | 81 Ų | 81 | 98.9 Ų | 98.9 | 43% | 0.433 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.6 | -34.2 | 176.3 | -70.5 | -46.5 | 0 | 0 | 0 | 111.8 | C9 S10 K15 S16 L17 | C9-D13 WeakPolarHBondContact CA-OD2 3.39Å; C9-D13 HydrophobicContact CB-CB 3.75Å; S10-D13 PolarHBondContact N-OD2 3.02Å; S10-D13 WeakPolarHBondContact O-CB 3.43Å; S10-D13 PolarHBondContact O-N 3.34Å; D13-K15 VanDerWaalsContact C-N 3.27Å; D13-K15 PolarHBondContact O-N 3.04Å; D13-S16 WeakPolarHBondContact O-CB 3.48Å; D13-S16 PolarHBondContact O-N 3.38Å; D13-L17 PolarHBondContact O-N 3.43Å |
| 14 | L | 59.3 | Low | 66.5 | Low | 96 Ų | 96 | 99.6 Ų | 99.6 | 50% | 0.503 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.5 | -28.4 | 172.7 | -72.3 | 166.7 | 0 | 0 | 0 | 112.3 | S10 E12 L17 | S10-L14 PolarHBondContact O-N 3.4Å; E12-L14 VanDerWaalsContact C-N 3.33Å; E12-L14 PolarHBondContact O-N 3.37Å; L14-L17 HydrophobicContact CD2-CD1 3.83Å |
| 15 | K | 60.7 | Low | 68.8 | Low | 120 Ų | 120 | 95 Ų | 95 | 52% | 0.522 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -74.2 | -36.8 | 172.9 | -72.3 | 168.7 | -177.9 | 173.9 | 0 | 111.1 | V11 E12 D13 L17 F18 Q26 | V11-K15 WeakPolarHBondContact O-CG 3.44Å; V11-K15 PolarHBondContact O-N 3.45Å; E12-K15 WeakPolarHBondContact O-CB 3.5Å; E12-K15 PolarHBondContact O-N 2.91Å; E12-K15 VanDerWaalsContact O-N 3.13Å; D13-K15 VanDerWaalsContact C-N 3.27Å; D13-K15 PolarHBondContact O-N 3.04Å; K15-L17 PolarHBondContact O-N 3.33Å; K15-F18 PolarHBondContact O-N 3.04Å; K15-F18 VanDerWaalsContact O-N 3.12Å; K15-Q26 PolarHBondContact O-NE2 3.48Å |
| 16 | S | 64.4 | Low | 70.7 | Confident | 73 Ų | 73 | 89 Ų | 89 | 51% | 0.51 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.8 | -25 | 175.8 | -58.4 | 0 | 0 | 0 | 0 | 113.2 | E12 D13 F18 Y19 | E12-S16 PolarHBondContact O-N 3.41Å; E12-S16 PolarHBondContact O-OG 3.08Å; D13-S16 WeakPolarHBondContact O-CB 3.48Å; D13-S16 PolarHBondContact O-N 3.38Å; S16-F18 PolarHBondContact O-N 2.99Å; S16-Y19 WeakPolarHBondContact O-CB 3.47Å; S16-Y19 PolarHBondContact O-N 3.31Å |
| 17 | L | 72.8 | Confident | 72.8 | Confident | 109 Ų | 109 | 86.7 Ų | 86.7 | 57% | 0.571 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -25.6 | 175.5 | -66.3 | 172.5 | 0 | 0 | 0 | 113.8 | D13 L14 K15 | D13-L17 PolarHBondContact O-N 3.43Å; L14-L17 HydrophobicContact CD2-CD1 3.83Å; K15-L17 PolarHBondContact O-N 3.33Å |
| 18 | F | 84.7 | Confident | 74.3 | Confident | 52 Ų | 52 | 85.6 Ų | 85.6 | 23% | 0.228 | 46% | 0.457 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 21.5 | 179.8 | -55.8 | -55.3 | 0 | 0 | 0 | 112.5 | K15 S16 Q26 Y27 H30 F33 | K15-F18 PolarHBondContact O-N 3.04Å; K15-F18 VanDerWaalsContact O-N 3.12Å; S16-F18 PolarHBondContact O-N 2.99Å; F18-Q26 PolarHBondContact O-NE2 3.43Å; F18-Y27 WeakPolarHBondContact CB-O 3.36Å; F18-Y27 WeakPolarHBondContact O-CB 3.46Å; F18-Y27 WeakPolarHBondContact O-CD2 3.39Å; F18-Y27 PolarHBondContact O-N 3.1Å; F18-H30 HydrophobicContact CD1-CB 4.46Å; F18-H30 VanDerWaalsContact CE1-CA 3.44Å; F18-H30 HydrophobicContact CE1-CB 3.58Å; F18-H30 AromaticContact CE1-CD2 3.89Å; F18-H30 HydrophobicContact CZ-CB 4.02Å; F18-F33 HydrophobicContact CB-CB 4.45Å; F18-F33 HydrophobicContact CB-CG 4.47Å; F18-F33 HydrophobicContact CD1-CB 4.03Å; F18-F33 HydrophobicContact CD1-CD1 4.35Å; F18-F33 HydrophobicContact CD1-CG 4.25Å; F18-F33 WeakPolarHBondContact O-CD2 3.45Å |
| 19 | Y | 89.1 | Confident | 75.9 | Confident | 83 Ų | 83 | 90.4 Ų | 90.4 | 33% | 0.325 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 134.1 | 177.9 | 177.8 | -113.2 | 0 | 0 | 0 | 110.8 | S16 E21 D24 K25 Q26 | S16-Y19 WeakPolarHBondContact O-CB 3.47Å; S16-Y19 PolarHBondContact O-N 3.31Å; Y19-E21 HydrophobicContact CD1-CG 3.92Å; Y19-E21 HydrophobicContact CE1-CB 4.28Å; Y19-E21 HydrophobicContact CE1-CG 3.6Å; Y19-D24 PolarHBondContact OH-OD1 3.33Å; Y19-K25 WeakPolarHBondContact CA-O 3.23Å; Y19-K25 WeakPolarHBondContact CD2-O 3.4Å; Y19-Q26 HydrophobicContact CD2-CB 4.24Å |
| 20 | C | 90.4 | Very high | 77.6 | Confident | 6 Ų | 6 | 91.9 Ų | 91.9 | 4% | 0.041 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 105.8 | 173.5 | 176 | 0 | 0 | 0 | 0 | 110 | L22 C23 D24 K25 F33 H36 H42 | C20-L22 PolarHBondContact O-N 3.11Å; C20-C23 HydrophobicContact CB-CB 4.48Å; C20-C23 PolarHBondContact O-N 3.48Å; C20-C23 PolarHBondContact SG-N 3.39Å; C20-C23 VanDerWaalsContact SG-N 3.37Å; C20-D24 WeakPolarHBondContact O-CA 3.38Å; C20-D24 PolarHBondContact O-N 3.01Å; C20-K25 PolarHBondContact N-O 2.94Å; C20-K25 PolarHBondContact O-N 3.11Å; C20-F33 HydrophobicContact CB-CE2 4.15Å; C20-H36 PolarHBondContact SG-NE2 2.9Å; C20-H42 PolarHBondContact SG-CE1 3.42Å; C20-H42 PolarHBondContact SG-ND1 3.46Å |
| 21 | E | 88.6 | Confident | 79.1 | Confident | 152 Ų | 152 | 95.4 Ų | 95.4 | 71% | 0.71 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -24.4 | 174.3 | -67.5 | 176 | -142.5 | 0 | 0 | 113 | Y19 C23 | Y19-E21 HydrophobicContact CD1-CG 3.92Å; Y19-E21 HydrophobicContact CE1-CB 4.28Å; Y19-E21 HydrophobicContact CE1-CG 3.6Å; E21-C23 VanDerWaalsContact C-N 3.35Å |
| 22 | L | 89.5 | Confident | 80.6 | Confident | 41 Ų | 41 | 94.8 Ų | 94.8 | 22% | 0.215 | 46% | 0.455 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -33.7 | 179.4 | -60.6 | -171.8 | 0 | 0 | 0 | 111.6 | C20 K45 Q46 K49 | C20-L22 PolarHBondContact O-N 3.11Å; L22-K45 WeakPolarHBondContact O-CD 3.38Å; L22-K45 WeakPolarHBondContact O-CE 3.49Å; L22-K45 PolarHBondContact O-NZ 3.37Å; L22-Q46 HydrophobicContact CD1-CB 3.7Å; L22-Q46 HydrophobicContact CD1-CG 3.89Å; L22-K49 HydrophobicContact CD2-CD 3.75Å |
| 23 | C | 89.4 | Confident | 82.1 | Confident | 16 Ų | 16 | 90.4 Ų | 90.4 | 11% | 0.108 | 43% | 0.433 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.4 | -1.5 | -173.7 | -62.7 | 0 | 0 | 0 | 0 | 113.6 | C20 E21 K25 | C20-C23 HydrophobicContact CB-CB 4.48Å; C20-C23 PolarHBondContact O-N 3.48Å; C20-C23 PolarHBondContact SG-N 3.39Å; C20-C23 VanDerWaalsContact SG-N 3.37Å; E21-C23 VanDerWaalsContact C-N 3.35Å; C23-K25 HydrophobicContact CB-CD 4.24Å; C23-K25 HydrophobicContact CB-CG 4.36Å; C23-K25 WeakPolarHBondContact O-CG 3.3Å; C23-K25 PolarHBondContact O-N 3.3Å |
| 24 | D | 89.6 | Confident | 83.6 | Confident | 119 Ų | 119 | 89.9 Ų | 89.9 | 64% | 0.636 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 42.7 | -176.2 | -66 | -69.8 | 0 | 0 | 0 | 112.4 | Y19 C20 | Y19-D24 PolarHBondContact OH-OD1 3.33Å; C20-D24 WeakPolarHBondContact O-CA 3.38Å; C20-D24 PolarHBondContact O-N 3.01Å |
| 25 | K | 89.9 | Confident | 85.2 | Confident | 109 Ų | 109 | 89.4 Ų | 89.4 | 47% | 0.474 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 125.8 | -177.4 | -73 | 176.5 | -168.5 | -66.3 | 0 | 110.9 | Y19 C20 C23 Y27 | Y19-K25 WeakPolarHBondContact CA-O 3.23Å; Y19-K25 WeakPolarHBondContact CD2-O 3.4Å; C20-K25 PolarHBondContact N-O 2.94Å; C20-K25 PolarHBondContact O-N 3.11Å; C23-K25 HydrophobicContact CB-CD 4.24Å; C23-K25 HydrophobicContact CB-CG 4.36Å; C23-K25 WeakPolarHBondContact O-CG 3.3Å; C23-K25 PolarHBondContact O-N 3.3Å; K25-Y27 HydrophobicContact CB-CD2 4.32Å; K25-Y27 HydrophobicContact CB-CE2 3.52Å; K25-Y27 VanDerWaalsContact CD-OH 3.27Å; K25-Y27 WeakPolarHBondContact CD-OH 3.49Å |
| 26 | Q | 89 | Confident | 86.8 | Confident | 100 Ų | 100 | 84.5 Ų | 84.5 | 47% | 0.467 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 126.9 | 170.5 | -179.3 | 67.2 | 64 | 0 | 0 | 109.7 | K15 F18 Y19 | K15-Q26 PolarHBondContact O-NE2 3.48Å; F18-Q26 PolarHBondContact O-NE2 3.43Å; Y19-Q26 HydrophobicContact CD2-CB 4.24Å |
| 27 | Y | 87.6 | Confident | 88.1 | Confident | 43 Ų | 43 | 84 Ų | 84 | 17% | 0.169 | 40% | 0.398 | C | S | . | . | trans | -106.7 | 150 | 173.6 | -62.2 | -91.8 | 0 | 0 | 0 | 109.9 | F18 K25 E32 F33 H36 | F18-Y27 WeakPolarHBondContact CB-O 3.36Å; F18-Y27 WeakPolarHBondContact O-CB 3.46Å; F18-Y27 WeakPolarHBondContact O-CD2 3.39Å; F18-Y27 PolarHBondContact O-N 3.1Å; K25-Y27 HydrophobicContact CB-CD2 4.32Å; K25-Y27 HydrophobicContact CB-CE2 3.52Å; K25-Y27 VanDerWaalsContact CD-OH 3.27Å; K25-Y27 WeakPolarHBondContact CD-OH 3.49Å; Y27-E32 HydrophobicContact CD1-CB 3.85Å; Y27-F33 HydrophobicContact CD2-CB 4.46Å; Y27-F33 AromaticContact CD2-CD2 3.66Å; Y27-F33 HydrophobicContact CD2-CD2 3.66Å; Y27-F33 HydrophobicContact CD2-CE2 4.49Å; Y27-F33 HydrophobicContact CE2-CD2 4.31Å; Y27-F33 HydrophobicContact CG-CB 4.27Å; Y27-F33 HydrophobicContact CG-CD2 4.28Å; Y27-H36 HydrophobicContact CE1-CB 4.08Å; Y27-H36 HydrophobicContact CE2-CB 3.91Å; Y27-H36 AromaticContact CE2-CD2 3.66Å; Y27-H36 AromaticContact CE2-CG 3.71Å; Y27-H36 AromaticContact CZ-CD2 3.97Å; Y27-H36 AromaticContact CZ-CG 3.53Å; Y27-H36 WeakPolarHBondContact OH-CB 3.3Å; Y27-H36 PolarHBondContact OH-ND1 3.48Å; Y27-H36 VanDerWaalsContact OH-ND1 3.1Å | ||
| 28 | L | 81.9 | Confident | 89 | Confident | 166 Ų | 166 | 84.1 Ų | 84.1 | 87% | 0.869 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -99.5 | -20.4 | 179.9 | -74.8 | 158.8 | 0 | 0 | 0 | 112.5 | ||
| 29 | R | 85.1 | Confident | 89.4 | Confident | 165 Ų | 165 | 83.4 Ų | 83.4 | 62% | 0.623 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -124.1 | 138.2 | -177.8 | -65.4 | -159.3 | -71.9 | -177.1 | -2.9 | 110.2 | Q31 E32 F33 | R29-Q31 VanDerWaalsContact C-N 3.29Å; R29-Q31 PolarHBondContact O-N 2.9Å; R29-E32 HydrophobicContact CB-CG 4.22Å; R29-E32 PolarHBondContact O-N 3.21Å; R29-F33 PolarHBondContact O-N 3Å |
| 30 | H | 84.7 | Confident | 89.7 | Confident | 117 Ų | 117 | 88.3 Ų | 88.3 | 54% | 0.542 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -52.8 | -45.5 | 175.5 | 177.4 | -82.3 | 0 | 0 | 0 | 112.4 | F18 E32 F33 D34 | F18-H30 HydrophobicContact CD1-CB 4.46Å; F18-H30 VanDerWaalsContact CE1-CA 3.44Å; F18-H30 HydrophobicContact CE1-CB 3.58Å; F18-H30 AromaticContact CE1-CD2 3.89Å; F18-H30 HydrophobicContact CZ-CB 4.02Å; H30-E32 VanDerWaalsContact C-N 3.31Å; H30-E32 PolarHBondContact O-N 3.31Å; H30-F33 WeakPolarHBondContact O-CB 3.45Å; H30-F33 PolarHBondContact O-N 3.21Å; H30-D34 WeakPolarHBondContact O-CB 3.46Å; H30-D34 PolarHBondContact O-N 3.4Å |
| 31 | Q | 88.5 | Confident | 89.7 | Confident | 126 Ų | 126 | 93.3 Ų | 93.3 | 59% | 0.589 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -60.7 | -38.7 | -177.8 | -171.7 | 176.8 | -4.8 | 0 | 0 | 113 | R29 D34 N35 | R29-Q31 VanDerWaalsContact C-N 3.29Å; R29-Q31 PolarHBondContact O-N 2.9Å; Q31-D34 PolarHBondContact O-N 2.97Å; Q31-N35 WeakPolarHBondContact O-CB 3.47Å; Q31-N35 PolarHBondContact O-N 3.2Å; Q31-N35 PolarHBondContact O-ND2 2.9Å; Q31-N35 VanDerWaalsContact O-ND2 3.17Å |
| 32 | E | 89 | Confident | 90 | Very high | 87 Ų | 87 | 86.4 Ų | 86.4 | 41% | 0.407 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -71.2 | -36.5 | 178.6 | -63.2 | -66.7 | 91.7 | 0 | 0 | 111.5 | Y27 R29 H30 H36 | Y27-E32 HydrophobicContact CD1-CB 3.85Å; R29-E32 HydrophobicContact CB-CG 4.22Å; R29-E32 PolarHBondContact O-N 3.21Å; H30-E32 VanDerWaalsContact C-N 3.31Å; H30-E32 PolarHBondContact O-N 3.31Å; E32-H36 WeakPolarHBondContact O-CB 3.34Å; E32-H36 PolarHBondContact O-N 2.88Å |
| 33 | F | 91.6 | Very high | 90.2 | Very high | 37 Ų | 37 | 86.5 Ų | 86.5 | 16% | 0.162 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -65.8 | -46.6 | 173.7 | -175.8 | -108 | 0 | 0 | 0 | 111.3 | F18 C20 Y27 R29 H30 N35 H36 I37 | F18-F33 HydrophobicContact CB-CB 4.45Å; F18-F33 HydrophobicContact CB-CG 4.47Å; F18-F33 HydrophobicContact CD1-CB 4.03Å; F18-F33 HydrophobicContact CD1-CD1 4.35Å; F18-F33 HydrophobicContact CD1-CG 4.25Å; F18-F33 WeakPolarHBondContact O-CD2 3.45Å; C20-F33 HydrophobicContact CB-CE2 4.15Å; Y27-F33 HydrophobicContact CD2-CB 4.46Å; Y27-F33 AromaticContact CD2-CD2 3.66Å; Y27-F33 HydrophobicContact CD2-CD2 3.66Å; Y27-F33 HydrophobicContact CD2-CE2 4.49Å; Y27-F33 HydrophobicContact CE2-CD2 4.31Å; Y27-F33 HydrophobicContact CG-CB 4.27Å; Y27-F33 HydrophobicContact CG-CD2 4.28Å; R29-F33 PolarHBondContact O-N 3Å; H30-F33 WeakPolarHBondContact O-CB 3.45Å; H30-F33 PolarHBondContact O-N 3.21Å; F33-N35 PolarHBondContact O-N 3.47Å; F33-H36 CarbonylContact O-C 3.59Å; F33-H36 WeakPolarHBondContact O-CA 3.34Å; F33-H36 VanDerWaalsContact O-CB 3.32Å; F33-H36 WeakPolarHBondContact O-CB 3.35Å; F33-H36 PolarHBondContact O-N 3.32Å; F33-I37 HydrophobicContact CD1-CG1 4.11Å; F33-I37 HydrophobicContact CE1-CD1 4.2Å; F33-I37 HydrophobicContact CE1-CG1 3.75Å; F33-I37 HydrophobicContact CE2-CD1 4.02Å; F33-I37 HydrophobicContact CE2-CG1 4.21Å; F33-I37 HydrophobicContact CG-CG1 4.5Å; F33-I37 HydrophobicContact CZ-CD1 3.74Å; F33-I37 HydrophobicContact CZ-CG1 3.82Å; F33-I37 WeakPolarHBondContact O-CG1 3.35Å; F33-I37 PolarHBondContact O-N 3.45Å |
| 34 | D | 90.7 | Very high | 90.4 | Very high | 71 Ų | 71 | 90.6 Ų | 90.6 | 38% | 0.38 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.1 | -45.1 | 178.1 | -163.4 | -96.7 | 0 | 0 | 0 | 111.3 | H30 Q31 H36 I37 N38 | H30-D34 WeakPolarHBondContact O-CB 3.46Å; H30-D34 PolarHBondContact O-N 3.4Å; Q31-D34 PolarHBondContact O-N 2.97Å; D34-H36 VanDerWaalsContact C-N 3.26Å; D34-H36 PolarHBondContact O-N 2.89Å; D34-I37 PolarHBondContact O-N 2.83Å; D34-N38 WeakPolarHBondContact O-CB 3.46Å; D34-N38 VanDerWaalsContact O-CG 3.31Å; D34-N38 PolarHBondContact O-N 3.06Å; D34-N38 PolarHBondContact O-ND2 3.25Å; D34-N38 PolarHBondContact OD1-ND2 3.27Å |
| 35 | N | 92.1 | Very high | 90.5 | Very high | 85 Ų | 85 | 88.7 Ų | 88.7 | 46% | 0.455 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -57.8 | -38 | 171.9 | -73 | -23.7 | 0 | 0 | 0 | 112.3 | Q31 F33 S39 | Q31-N35 WeakPolarHBondContact O-CB 3.47Å; Q31-N35 PolarHBondContact O-N 3.2Å; Q31-N35 PolarHBondContact O-ND2 2.9Å; Q31-N35 VanDerWaalsContact O-ND2 3.17Å; F33-N35 PolarHBondContact O-N 3.47Å; N35-S39 WeakPolarHBondContact O-CB 3.4Å; N35-S39 PolarHBondContact O-N 3.46Å |
| 36 | H | 93.3 | Very high | 90.6 | Very high | 17 Ų | 17 | 87.7 Ų | 87.7 | 8% | 0.079 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -68.1 | -48.1 | 176 | 171.7 | 63.2 | 0 | 0 | 0 | 112.4 | C20 Y27 E32 F33 D34 N38 S39 H42 | C20-H36 PolarHBondContact SG-NE2 2.9Å; Y27-H36 HydrophobicContact CE1-CB 4.08Å; Y27-H36 HydrophobicContact CE2-CB 3.91Å; Y27-H36 AromaticContact CE2-CD2 3.66Å; Y27-H36 AromaticContact CE2-CG 3.71Å; Y27-H36 AromaticContact CZ-CD2 3.97Å; Y27-H36 AromaticContact CZ-CG 3.53Å; Y27-H36 WeakPolarHBondContact OH-CB 3.3Å; Y27-H36 PolarHBondContact OH-ND1 3.48Å; Y27-H36 VanDerWaalsContact OH-ND1 3.1Å; E32-H36 WeakPolarHBondContact O-CB 3.34Å; E32-H36 PolarHBondContact O-N 2.88Å; F33-H36 CarbonylContact O-C 3.59Å; F33-H36 WeakPolarHBondContact O-CA 3.34Å; F33-H36 VanDerWaalsContact O-CB 3.32Å; F33-H36 WeakPolarHBondContact O-CB 3.35Å; F33-H36 PolarHBondContact O-N 3.32Å; D34-H36 VanDerWaalsContact C-N 3.26Å; D34-H36 PolarHBondContact O-N 2.89Å; H36-N38 PolarHBondContact O-N 3.2Å; H36-S39 VanDerWaalsContact O-CB 3.22Å; H36-S39 WeakPolarHBondContact O-CB 3.41Å; H36-S39 PolarHBondContact O-N 3.33Å; H36-S39 PolarHBondContact O-OG 2.86Å; H36-H42 AromaticContact CD2-ND1 3.76Å; H36-H42 AromaticContact CE1-ND1 3.64Å; H36-H42 AromaticContact NE2-CE1 3.93Å; H36-H42 AromaticContact NE2-CG 3.85Å; H36-H42 AromaticContact NE2-ND1 3.07Å; H36-H42 PolarHBondContact NE2-ND1 3.36Å; H36-H42 WeakPolarHBondContact O-CB 3.37Å |
| 37 | I | 92.6 | Very high | 90.7 | Very high | 62 Ų | 62 | 91.1 Ų | 91.1 | 32% | 0.318 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.1 | -37.6 | 178.7 | -62.9 | -56.5 | 0 | 0 | 0 | 110.7 | F33 D34 S39 H42 | F33-I37 HydrophobicContact CD1-CG1 4.11Å; F33-I37 HydrophobicContact CE1-CD1 4.2Å; F33-I37 HydrophobicContact CE1-CG1 3.75Å; F33-I37 HydrophobicContact CE2-CD1 4.02Å; F33-I37 HydrophobicContact CE2-CG1 4.21Å; F33-I37 HydrophobicContact CG-CG1 4.5Å; F33-I37 HydrophobicContact CZ-CD1 3.74Å; F33-I37 HydrophobicContact CZ-CG1 3.82Å; F33-I37 WeakPolarHBondContact O-CG1 3.35Å; F33-I37 PolarHBondContact O-N 3.45Å; D34-I37 PolarHBondContact O-N 2.83Å; I37-S39 VanDerWaalsContact C-N 3.27Å; I37-S39 PolarHBondContact O-N 2.88Å; I37-H42 WeakPolarHBondContact CD1-NE2 3.46Å; I37-H42 PolarHBondContact O-CD2 3.29Å |
| 38 | N | 92.3 | Very high | 90.8 | Very high | 113 Ų | 113 | 93.1 Ų | 93.1 | 60% | 0.604 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -5.6 | 175.8 | -67 | -42.8 | 0 | 0 | 0 | 113.8 | D34 H36 | D34-N38 WeakPolarHBondContact O-CB 3.46Å; D34-N38 VanDerWaalsContact O-CG 3.31Å; D34-N38 PolarHBondContact O-N 3.06Å; D34-N38 PolarHBondContact O-ND2 3.25Å; D34-N38 PolarHBondContact OD1-ND2 3.27Å; H36-N38 PolarHBondContact O-N 3.2Å |
| 39 | S | 93.3 | Very high | 91.2 | Very high | 36 Ų | 36 | 89.5 Ų | 89.5 | 25% | 0.252 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -71.7 | 145.6 | -179.8 | 75.7 | 0 | 0 | 0 | 0 | 111.8 | N35 H36 I37 D41 H42 A43 | N35-S39 WeakPolarHBondContact O-CB 3.4Å; N35-S39 PolarHBondContact O-N 3.46Å; H36-S39 VanDerWaalsContact O-CB 3.22Å; H36-S39 WeakPolarHBondContact O-CB 3.41Å; H36-S39 PolarHBondContact O-N 3.33Å; H36-S39 PolarHBondContact O-OG 2.86Å; I37-S39 VanDerWaalsContact C-N 3.27Å; I37-S39 PolarHBondContact O-N 2.88Å; S39-D41 VanDerWaalsContact C-N 3.3Å; S39-D41 PolarHBondContact O-N 3.12Å; S39-H42 PolarHBondContact O-N 3.37Å; S39-H42 WeakPolarHBondContact OG-CB 3.5Å; S39-H42 PolarHBondContact OG-N 3.08Å; S39-A43 PolarHBondContact O-N 2.84Å; S39-A43 VanDerWaalsContact O-N 3.09Å |
| 40 | Y | 93.9 | Very high | 91.3 | Very high | 187 Ų | 187 | 87.5 Ų | 87.5 | 73% | 0.733 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -57.7 | -41.9 | 179.6 | -179.8 | -97.7 | 0 | 0 | 0 | 112.7 | A43 H44 | Y40-A43 PolarHBondContact O-N 2.96Å; Y40-H44 VanDerWaalsContact O-CB 3.3Å; Y40-H44 WeakPolarHBondContact O-CB 3.42Å; Y40-H44 PolarHBondContact O-N 3.13Å |
| 41 | D | 92.2 | Very high | 91.6 | Very high | 111 Ų | 111 | 86.2 Ų | 86.2 | 59% | 0.594 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -62 | -45 | -179.9 | -174.6 | -100.5 | 0 | 0 | 0 | 111.8 | S39 H44 K45 | S39-D41 VanDerWaalsContact C-N 3.3Å; S39-D41 PolarHBondContact O-N 3.12Å; D41-H44 PolarHBondContact O-N 2.94Å; D41-K45 WeakPolarHBondContact O-CB 3.36Å; D41-K45 PolarHBondContact O-N 3.33Å |
| 42 | H | 94.3 | Very high | 91.6 | Very high | 6 Ų | 6 | 85.9 Ų | 85.9 | 3% | 0.028 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -61.6 | -50.8 | 177 | -178.4 | 85.3 | 0 | 0 | 0 | 111.4 | C20 H36 I37 S39 H44 K45 Q46 | C20-H42 PolarHBondContact SG-CE1 3.42Å; C20-H42 PolarHBondContact SG-ND1 3.46Å; H36-H42 AromaticContact CD2-ND1 3.76Å; H36-H42 AromaticContact CE1-ND1 3.64Å; H36-H42 AromaticContact NE2-CE1 3.93Å; H36-H42 AromaticContact NE2-CG 3.85Å; H36-H42 AromaticContact NE2-ND1 3.07Å; H36-H42 PolarHBondContact NE2-ND1 3.36Å; H36-H42 WeakPolarHBondContact O-CB 3.37Å; I37-H42 WeakPolarHBondContact CD1-NE2 3.46Å; I37-H42 PolarHBondContact O-CD2 3.29Å; S39-H42 PolarHBondContact O-N 3.37Å; S39-H42 WeakPolarHBondContact OG-CB 3.5Å; S39-H42 PolarHBondContact OG-N 3.08Å; H42-H44 VanDerWaalsContact C-N 3.28Å; H42-H44 PolarHBondContact O-N 3.48Å; H42-K45 PolarHBondContact O-N 3.37Å; H42-Q46 WeakPolarHBondContact O-CB 3.36Å; H42-Q46 PolarHBondContact O-N 3.37Å |
| 43 | A | 92.7 | Very high | 91.5 | Very high | 44 Ų | 44 | 87.6 Ų | 87.6 | 36% | 0.364 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -59.8 | -39.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112 | S39 Y40 R47 | S39-A43 PolarHBondContact O-N 2.84Å; S39-A43 VanDerWaalsContact O-N 3.09Å; Y40-A43 PolarHBondContact O-N 2.96Å; A43-R47 WeakPolarHBondContact O-CB 3.36Å; A43-R47 PolarHBondContact O-N 2.83Å |
| 44 | H | 94.1 | Very high | 91.3 | Very high | 102 Ų | 102 | 93.4 Ų | 93.4 | 47% | 0.472 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -67 | -43.3 | 177.5 | -169.9 | -86.8 | 0 | 0 | 0 | 111.7 | Y40 D41 H42 R47 L48 | Y40-H44 VanDerWaalsContact O-CB 3.3Å; Y40-H44 WeakPolarHBondContact O-CB 3.42Å; Y40-H44 PolarHBondContact O-N 3.13Å; D41-H44 PolarHBondContact O-N 2.94Å; H42-H44 VanDerWaalsContact C-N 3.28Å; H42-H44 PolarHBondContact O-N 3.48Å; H44-R47 PolarHBondContact O-N 2.9Å; H44-L48 WeakPolarHBondContact O-CB 3.33Å; H44-L48 PolarHBondContact O-N 3.19Å |
| 45 | K | 91.9 | Very high | 91.1 | Very high | 79 Ų | 79 | 93.9 Ų | 93.9 | 34% | 0.343 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -65.2 | -40.7 | 177.6 | -166.4 | 178.3 | -166.9 | -177.9 | 0 | 112.2 | L22 D41 H42 L48 K49 | L22-K45 WeakPolarHBondContact O-CD 3.38Å; L22-K45 WeakPolarHBondContact O-CE 3.49Å; L22-K45 PolarHBondContact O-NZ 3.37Å; D41-K45 WeakPolarHBondContact O-CB 3.36Å; D41-K45 PolarHBondContact O-N 3.33Å; H42-K45 PolarHBondContact O-N 3.37Å; K45-L48 PolarHBondContact O-N 2.95Å; K45-K49 PolarHBondContact O-N 3.35Å; K45-K49 VanDerWaalsContact O-N 3.13Å |
| 46 | Q | 91.9 | Very high | 90.8 | Very high | 88 Ų | 88 | 96.2 Ų | 96.2 | 41% | 0.411 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -59.8 | -53 | 174.4 | -176.3 | 176.9 | 64 | 0 | 0 | 110.5 | L22 H42 L48 K49 E50 | L22-Q46 HydrophobicContact CD1-CB 3.7Å; L22-Q46 HydrophobicContact CD1-CG 3.89Å; H42-Q46 WeakPolarHBondContact O-CB 3.36Å; H42-Q46 PolarHBondContact O-N 3.37Å; Q46-L48 VanDerWaalsContact C-N 3.29Å; Q46-L48 PolarHBondContact O-N 3.44Å; Q46-K49 PolarHBondContact O-N 3.42Å; Q46-K49 VanDerWaalsContact O-N 3.16Å; Q46-E50 WeakPolarHBondContact O-CG 3.49Å; Q46-E50 PolarHBondContact O-N 3.48Å |
| 47 | R | 90.6 | Very high | 90.4 | Very high | 172 Ų | 172 | 99 Ų | 99 | 65% | 0.649 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -58.4 | -40.1 | 179 | -175.8 | 173.9 | -68.1 | -144.4 | -1.3 | 112.5 | A43 H44 E50 L51 | A43-R47 WeakPolarHBondContact O-CB 3.36Å; A43-R47 PolarHBondContact O-N 2.83Å; H44-R47 PolarHBondContact O-N 2.9Å; R47-E50 PolarHBondContact O-N 2.73Å; R47-L51 HydrophobicContact CG-CD1 4.09Å; R47-L51 HydrophobicContact CG-CG 4.42Å; R47-L51 WeakPolarHBondContact O-CB 3.49Å; R47-L51 VanDerWaalsContact O-CG 3.26Å; R47-L51 WeakPolarHBondContact O-CG 3.05Å; R47-L51 PolarHBondContact O-N 2.59Å |
| 48 | L | 90.7 | Very high | 90 | Very high | 84 Ų | 84 | 101.8 Ų | 101.8 | 44% | 0.44 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.8 | -46.4 | 177.9 | -178.3 | 62.1 | 0 | 0 | 0 | 111.8 | H44 K45 Q46 L51 Q52 | H44-L48 WeakPolarHBondContact O-CB 3.33Å; H44-L48 PolarHBondContact O-N 3.19Å; K45-L48 PolarHBondContact O-N 2.95Å; Q46-L48 VanDerWaalsContact C-N 3.29Å; Q46-L48 PolarHBondContact O-N 3.44Å; L48-L51 PolarHBondContact O-N 2.89Å; L48-Q52 HydrophobicContact CD1-CG 4.48Å; L48-Q52 WeakPolarHBondContact O-CB 3.44Å; L48-Q52 WeakPolarHBondContact O-CG 3.32Å; L48-Q52 PolarHBondContact O-N 3Å |
| 49 | K | 89.7 | Confident | 89.6 | Confident | 90 Ų | 90 | 100.6 Ų | 100.6 | 39% | 0.391 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63 | -41.7 | 177 | -80.2 | -175.8 | 178.7 | -173.8 | 0 | 111.8 | L22 K45 Q46 Q52 H53 | L22-K49 HydrophobicContact CD2-CD 3.75Å; K45-K49 PolarHBondContact O-N 3.35Å; K45-K49 VanDerWaalsContact O-N 3.13Å; Q46-K49 PolarHBondContact O-N 3.42Å; Q46-K49 VanDerWaalsContact O-N 3.16Å; K49-Q52 PolarHBondContact O-N 3.5Å; K49-H53 WeakPolarHBondContact O-CB 3.1Å; K49-H53 PolarHBondContact O-N 3.47Å |
| 50 | E | 88.4 | Confident | 89.3 | Confident | 123 Ų | 123 | 102.2 Ų | 102.2 | 58% | 0.575 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -62.2 | -44.1 | 176.3 | -72.2 | -175.8 | 97.1 | 0 | 0 | 112 | Q46 R47 H53 R54 | Q46-E50 WeakPolarHBondContact O-CG 3.49Å; Q46-E50 PolarHBondContact O-N 3.48Å; R47-E50 PolarHBondContact O-N 2.73Å; E50-H53 PolarHBondContact O-N 2.87Å; E50-R54 WeakPolarHBondContact O-CB 3.44Å; E50-R54 PolarHBondContact O-N 3.11Å |
| 51 | L | 90.7 | Very high | 88.7 | Confident | 90 Ų | 90 | 96.1 Ų | 96.1 | 47% | 0.471 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.5 | -46.6 | 175.5 | -73.6 | 172.3 | 0 | 0 | 0 | 111.3 | R47 L48 H53 R54 E55 | R47-L51 HydrophobicContact CG-CD1 4.09Å; R47-L51 HydrophobicContact CG-CG 4.42Å; R47-L51 WeakPolarHBondContact O-CB 3.49Å; R47-L51 VanDerWaalsContact O-CG 3.26Å; R47-L51 WeakPolarHBondContact O-CG 3.05Å; R47-L51 PolarHBondContact O-N 2.59Å; L48-L51 PolarHBondContact O-N 2.89Å; L51-H53 PolarHBondContact O-N 3.12Å; L51-R54 PolarHBondContact O-N 2.94Å; L51-E55 WeakPolarHBondContact O-CG 3.38Å; L51-E55 PolarHBondContact O-N 3.38Å |
| 52 | Q | 87.9 | Confident | 88 | Confident | 119 Ų | 119 | 93.6 Ų | 93.6 | 56% | 0.556 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -61 | -43.2 | 176.9 | -74.2 | 178.3 | -34 | 0 | 0 | 112.2 | L48 K49 E55 F56 | L48-Q52 HydrophobicContact CD1-CG 4.48Å; L48-Q52 WeakPolarHBondContact O-CB 3.44Å; L48-Q52 WeakPolarHBondContact O-CG 3.32Å; L48-Q52 PolarHBondContact O-N 3Å; K49-Q52 PolarHBondContact O-N 3.5Å; Q52-E55 PolarHBondContact O-N 2.86Å; Q52-F56 WeakPolarHBondContact O-CB 3.46Å; Q52-F56 PolarHBondContact O-N 2.86Å |
| 53 | H | 87.6 | Confident | 87.4 | Confident | 123 Ų | 123 | 100.4 Ų | 100.4 | 57% | 0.569 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.4 | -44.4 | 177.5 | -174.3 | 75 | 0 | 0 | 0 | 111.3 | K49 E50 L51 E55 F56 V57 | K49-H53 WeakPolarHBondContact O-CB 3.1Å; K49-H53 PolarHBondContact O-N 3.47Å; E50-H53 PolarHBondContact O-N 2.87Å; L51-H53 PolarHBondContact O-N 3.12Å; H53-E55 VanDerWaalsContact C-N 3.35Å; H53-E55 PolarHBondContact O-N 2.9Å; H53-F56 WeakPolarHBondContact O-CB 3.48Å; H53-F56 PolarHBondContact O-N 2.89Å; H53-V57 WeakPolarHBondContact O-CG2 3.48Å; H53-V57 PolarHBondContact O-N 3.07Å |
| 54 | R | 87.4 | Confident | 86.9 | Confident | 160 Ų | 160 | 101.4 Ų | 101.4 | 60% | 0.604 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -60.4 | -44.1 | 176.4 | -175.8 | 179.2 | -179.8 | -175.5 | 0.5 | 112.1 | E50 L51 F56 V57 R58 | E50-R54 WeakPolarHBondContact O-CB 3.44Å; E50-R54 PolarHBondContact O-N 3.11Å; L51-R54 PolarHBondContact O-N 2.94Å; R54-F56 VanDerWaalsContact C-N 3.35Å; R54-V57 PolarHBondContact O-N 3.48Å; R54-R58 WeakPolarHBondContact O-CB 3.5Å; R54-R58 PolarHBondContact O-N 3.39Å |
| 55 | E | 85.7 | Confident | 86.3 | Confident | 80 Ų | 80 | 105.4 Ų | 105.4 | 37% | 0.374 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.3 | -39 | 175.8 | -70.2 | -57 | 128.7 | 0 | 0 | 111.6 | L51 Q52 H53 R58 N59 | L51-E55 WeakPolarHBondContact O-CG 3.38Å; L51-E55 PolarHBondContact O-N 3.38Å; Q52-E55 PolarHBondContact O-N 2.86Å; H53-E55 VanDerWaalsContact C-N 3.35Å; H53-E55 PolarHBondContact O-N 2.9Å; E55-R58 VanDerWaalsContact CD-NH1 3.3Å; E55-R58 PolarHBondContact O-N 3.13Å; E55-R58 IonicContact OE1-CZ 3.48Å; E55-R58 IonicContact OE1-NH1 2.68Å; E55-R58 PolarHBondContact OE1-NH1 3.31Å; E55-R58 IonicContact OE1-NH2 3.86Å; E55-R58 IonicContact OE2-NH1 3.15Å; E55-R58 PolarHBondContact OE2-NH1 3.31Å; E55-R58 VanDerWaalsContact OE2-NH1 3.15Å; E55-N59 WeakPolarHBondContact O-CB 3.49Å; E55-N59 PolarHBondContact O-N 3.3Å; E55-N59 PolarHBondContact O-ND2 3.29Å |
| 56 | F | 86.2 | Confident | 86.1 | Confident | 135 Ų | 135 | 108.5 Ų | 108.5 | 59% | 0.592 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.4 | -50.6 | 174.9 | 179.2 | -101.5 | 0 | 0 | 0 | 111.4 | Q52 H53 R54 R58 N59 V60 | Q52-F56 WeakPolarHBondContact O-CB 3.46Å; Q52-F56 PolarHBondContact O-N 2.86Å; H53-F56 WeakPolarHBondContact O-CB 3.48Å; H53-F56 PolarHBondContact O-N 2.89Å; R54-F56 VanDerWaalsContact C-N 3.35Å; F56-R58 VanDerWaalsContact C-N 3.3Å; F56-R58 PolarHBondContact O-N 3.19Å; F56-N59 PolarHBondContact O-N 2.79Å; F56-N59 VanDerWaalsContact O-N 3.12Å; F56-V60 HydrophobicContact CD1-CG2 4.04Å; F56-V60 HydrophobicContact CD2-CG2 4.17Å; F56-V60 HydrophobicContact CE1-CG2 3.63Å; F56-V60 HydrophobicContact CE2-CG2 3.77Å; F56-V60 HydrophobicContact CG-CG2 4.3Å; F56-V60 HydrophobicContact CZ-CG2 3.49Å; F56-V60 VanDerWaalsContact CZ-CG2 3.49Å; F56-V60 WeakPolarHBondContact O-CG2 3.27Å; F56-V60 PolarHBondContact O-N 2.86Å |
| 57 | V | 85 | Confident | 85.9 | Confident | 76 Ų | 76 | 109.2 Ų | 109.2 | 46% | 0.461 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58 | -43.6 | 177.8 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | H53 R54 N59 V60 A61 | H53-V57 WeakPolarHBondContact O-CG2 3.48Å; H53-V57 PolarHBondContact O-N 3.07Å; R54-V57 PolarHBondContact O-N 3.48Å; V57-N59 PolarHBondContact O-N 3.45Å; V57-V60 PolarHBondContact O-N 3.28Å; V57-A61 WeakPolarHBondContact O-CB 3.38Å; V57-A61 PolarHBondContact O-N 3.37Å |
| 58 | R | 83.8 | Confident | 85.8 | Confident | 120 Ų | 120 | 106.6 Ų | 106.6 | 45% | 0.453 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.9 | -46 | 175.4 | -175.4 | -170.2 | -73 | 150.6 | -0.7 | 111.8 | R54 E55 F56 A61 S62 | R54-R58 WeakPolarHBondContact O-CB 3.5Å; R54-R58 PolarHBondContact O-N 3.39Å; E55-R58 VanDerWaalsContact CD-NH1 3.3Å; E55-R58 PolarHBondContact O-N 3.13Å; E55-R58 IonicContact OE1-CZ 3.48Å; E55-R58 IonicContact OE1-NH1 2.68Å; E55-R58 PolarHBondContact OE1-NH1 3.31Å; E55-R58 IonicContact OE1-NH2 3.86Å; E55-R58 IonicContact OE2-NH1 3.15Å; E55-R58 PolarHBondContact OE2-NH1 3.31Å; E55-R58 VanDerWaalsContact OE2-NH1 3.15Å; F56-R58 VanDerWaalsContact C-N 3.3Å; F56-R58 PolarHBondContact O-N 3.19Å; R58-A61 PolarHBondContact O-N 3.36Å; R58-S62 VanDerWaalsContact O-CB 3.3Å; R58-S62 WeakPolarHBondContact O-CB 3.43Å; R58-S62 PolarHBondContact O-N 2.69Å; R58-S62 PolarHBondContact O-OG 3.06Å |
| 59 | N | 84.3 | Confident | 85.8 | Confident | 88 Ų | 88 | 111.3 Ų | 111.3 | 47% | 0.471 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.4 | -41.3 | -179.6 | -82.8 | -58.2 | 0 | 0 | 0 | 112.5 | E55 F56 V57 S62 K63 | E55-N59 WeakPolarHBondContact O-CB 3.49Å; E55-N59 PolarHBondContact O-N 3.3Å; E55-N59 PolarHBondContact O-ND2 3.29Å; F56-N59 PolarHBondContact O-N 2.79Å; F56-N59 VanDerWaalsContact O-N 3.12Å; V57-N59 PolarHBondContact O-N 3.45Å; N59-S62 PolarHBondContact O-N 3.42Å; N59-K63 WeakPolarHBondContact O-CB 3.26Å; N59-K63 PolarHBondContact O-N 3.27Å |
| 60 | V | 86.4 | Confident | 86 | Confident | 69 Ų | 69 | 114.2 Ų | 114.2 | 42% | 0.418 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.3 | -47.6 | 175.5 | 171.7 | 0 | 0 | 0 | 0 | 110.5 | F56 V57 S62 K63 S64 | F56-V60 HydrophobicContact CD1-CG2 4.04Å; F56-V60 HydrophobicContact CD2-CG2 4.17Å; F56-V60 HydrophobicContact CE1-CG2 3.63Å; F56-V60 HydrophobicContact CE2-CG2 3.77Å; F56-V60 HydrophobicContact CG-CG2 4.3Å; F56-V60 HydrophobicContact CZ-CG2 3.49Å; F56-V60 VanDerWaalsContact CZ-CG2 3.49Å; F56-V60 WeakPolarHBondContact O-CG2 3.27Å; F56-V60 PolarHBondContact O-N 2.86Å; V57-V60 PolarHBondContact O-N 3.28Å; V60-S62 VanDerWaalsContact C-N 3.29Å; V60-S62 PolarHBondContact O-N 2.91Å; V60-K63 PolarHBondContact O-N 3.32Å; V60-S64 VanDerWaalsContact O-CB 3.23Å; V60-S64 WeakPolarHBondContact O-CB 3.43Å; V60-S64 PolarHBondContact O-N 3.36Å |
| 61 | A | 80.6 | Confident | 86.1 | Confident | 59 Ų | 59 | 113.9 Ų | 113.9 | 49% | 0.488 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59.1 | -42.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V57 R58 S64 W65 | V57-A61 WeakPolarHBondContact O-CB 3.38Å; V57-A61 PolarHBondContact O-N 3.37Å; R58-A61 PolarHBondContact O-N 3.36Å; A61-S64 PolarHBondContact O-N 3.16Å; A61-W65 PolarHBondContact O-N 2.93Å; A61-W65 VanDerWaalsContact O-N 3.08Å |
| 62 | S | 77.1 | Confident | 86.3 | Confident | 59 Ų | 59 | 114.1 Ų | 114.1 | 41% | 0.413 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -68.7 | -38 | -179.3 | -59 | 0 | 0 | 0 | 0 | 113 | R58 N59 V60 | R58-S62 VanDerWaalsContact O-CB 3.3Å; R58-S62 WeakPolarHBondContact O-CB 3.43Å; R58-S62 PolarHBondContact O-N 2.69Å; R58-S62 PolarHBondContact O-OG 3.06Å; N59-S62 PolarHBondContact O-N 3.42Å; V60-S62 VanDerWaalsContact C-N 3.29Å; V60-S62 PolarHBondContact O-N 2.91Å |
| 63 | K | 82 | Confident | 86.6 | Confident | 148 Ų | 148 | 114.6 Ų | 114.6 | 64% | 0.643 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -68.6 | -46.4 | 172.7 | -80.7 | 179.6 | 172.4 | 175 | 0 | 111.2 | N59 V60 W65 K66 D67 | N59-K63 WeakPolarHBondContact O-CB 3.26Å; N59-K63 PolarHBondContact O-N 3.27Å; V60-K63 PolarHBondContact O-N 3.32Å; K63-W65 PolarHBondContact O-N 3.46Å; K63-K66 PolarHBondContact O-N 2.98Å; K63-K66 VanDerWaalsContact O-N 3.13Å; K63-D67 PolarHBondContact O-N 2.86Å |
| 64 | S | 82.4 | Confident | 87 | Confident | 66 Ų | 66 | 111 Ų | 111 | 46% | 0.462 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -55.8 | -47.6 | -179.2 | -179.1 | 0 | 0 | 0 | 0 | 111.9 | V60 A61 K66 D67 Q68 | V60-S64 VanDerWaalsContact O-CB 3.23Å; V60-S64 WeakPolarHBondContact O-CB 3.43Å; V60-S64 PolarHBondContact O-N 3.36Å; A61-S64 PolarHBondContact O-N 3.16Å; S64-K66 VanDerWaalsContact C-N 3.34Å; S64-K66 PolarHBondContact O-N 3.13Å; S64-D67 PolarHBondContact O-N 3.35Å; S64-Q68 VanDerWaalsContact O-CB 3.3Å; S64-Q68 WeakPolarHBondContact O-CB 3.32Å; S64-Q68 PolarHBondContact O-N 2.95Å |
| 65 | W | 81.7 | Confident | 87.4 | Confident | 186 Ų | 186 | 108.2 Ų | 108.2 | 71% | 0.705 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.1 | -38 | 178.7 | -177.8 | 47.4 | 0 | 0 | 0 | 113.4 | A61 K63 R69 | A61-W65 PolarHBondContact O-N 2.93Å; A61-W65 VanDerWaalsContact O-N 3.08Å; K63-W65 PolarHBondContact O-N 3.46Å; W65-R69 WeakPolarHBondContact O-CB 3.45Å; W65-R69 PolarHBondContact O-N 2.77Å; W65-R69 VanDerWaalsContact O-N 3.12Å |
| 66 | K | 88.6 | Confident | 87.9 | Confident | 144 Ų | 144 | 112 Ų | 112 | 63% | 0.626 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -67.5 | -43.1 | 176.9 | -74.4 | -178.6 | -178.5 | -179.7 | 0 | 111.9 | K63 S64 R69 K70 | K63-K66 PolarHBondContact O-N 2.98Å; K63-K66 VanDerWaalsContact O-N 3.13Å; S64-K66 VanDerWaalsContact C-N 3.34Å; S64-K66 PolarHBondContact O-N 3.13Å; K66-R69 PolarHBondContact O-N 3.12Å; K66-K70 PolarHBondContact O-N 3.18Å |
| 67 | D | 87.1 | Confident | 88.3 | Confident | 103 Ų | 103 | 112.6 Ų | 112.6 | 55% | 0.551 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.9 | -45.3 | 177 | -98.8 | -81.9 | 0 | 0 | 0 | 111.5 | K63 S64 R69 K70 Q71 | K63-D67 PolarHBondContact O-N 2.86Å; S64-D67 PolarHBondContact O-N 3.35Å; D67-R69 VanDerWaalsContact C-N 3.27Å; D67-R69 PolarHBondContact O-N 3.2Å; D67-K70 PolarHBondContact O-N 3.23Å; D67-Q71 PolarHBondContact O-N 2.88Å |
| 68 | Q | 88.3 | Confident | 88.9 | Confident | 116 Ų | 116 | 114.3 Ų | 114.3 | 54% | 0.542 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -52.8 | -45.7 | 174.7 | -168.5 | 84 | 36.5 | 0 | 0 | 111.3 | S64 K70 Q71 E72 | S64-Q68 VanDerWaalsContact O-CB 3.3Å; S64-Q68 WeakPolarHBondContact O-CB 3.32Å; S64-Q68 PolarHBondContact O-N 2.95Å; Q68-K70 PolarHBondContact O-N 3.15Å; Q68-Q71 PolarHBondContact O-N 2.68Å; Q68-E72 WeakPolarHBondContact O-CB 3.43Å; Q68-E72 PolarHBondContact O-N 3.37Å |
| 69 | R | 91.6 | Very high | 89.5 | Confident | 183 Ų | 183 | 114.2 Ų | 114.2 | 69% | 0.691 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.2 | -37.2 | 179.9 | -168.1 | 177.8 | -174.9 | -166.1 | 2.1 | 112.8 | W65 K66 D67 K73 | W65-R69 WeakPolarHBondContact O-CB 3.45Å; W65-R69 PolarHBondContact O-N 2.77Å; W65-R69 VanDerWaalsContact O-N 3.12Å; K66-R69 PolarHBondContact O-N 3.12Å; D67-R69 VanDerWaalsContact C-N 3.27Å; D67-R69 PolarHBondContact O-N 3.2Å; R69-K73 PolarHBondContact O-N 2.88Å |
| 70 | K | 92.6 | Very high | 90 | Very high | 151 Ų | 151 | 115.7 Ų | 115.7 | 66% | 0.657 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67.4 | -44.6 | 174.6 | -74.2 | -179.2 | -175.6 | 176.9 | 0 | 111 | K66 D67 Q68 K73 A74 | K66-K70 PolarHBondContact O-N 3.18Å; D67-K70 PolarHBondContact O-N 3.23Å; Q68-K70 PolarHBondContact O-N 3.15Å; K70-K73 PolarHBondContact O-N 2.82Å; K70-A74 PolarHBondContact O-N 3.35Å |
| 71 | Q | 92 | Very high | 90.5 | Very high | 116 Ų | 116 | 117.5 Ų | 117.5 | 54% | 0.542 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61.5 | -44.9 | 178.5 | -172.1 | 179.7 | -5.3 | 0 | 0 | 111.2 | D67 Q68 K73 A74 L75 | D67-Q71 PolarHBondContact O-N 2.88Å; Q68-Q71 PolarHBondContact O-N 2.68Å; Q71-K73 VanDerWaalsContact C-N 3.33Å; Q71-K73 PolarHBondContact O-N 3.34Å; Q71-A74 PolarHBondContact O-N 3.2Å; Q71-L75 HydrophobicContact CG-CD1 4.24Å; Q71-L75 WeakPolarHBondContact O-CG 3.4Å; Q71-L75 PolarHBondContact O-N 3.48Å |
| 72 | E | 93.4 | Very high | 91.2 | Very high | 96 Ų | 96 | 117.2 Ų | 117.2 | 45% | 0.449 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -59.3 | -44.2 | 176.3 | -167.9 | -163.9 | 120.7 | 0 | 0 | 111.5 | Q68 A74 L75 R76 | Q68-E72 WeakPolarHBondContact O-CB 3.43Å; Q68-E72 PolarHBondContact O-N 3.37Å; E72-A74 VanDerWaalsContact C-N 3.34Å; E72-A74 PolarHBondContact O-N 3.07Å; E72-L75 PolarHBondContact O-N 3.44Å; E72-R76 WeakPolarHBondContact O-CG 3.5Å; E72-R76 PolarHBondContact O-N 3.2Å; E72-R76 IonicContact OE1-CZ 3.31Å; E72-R76 VanDerWaalsContact OE1-CZ 3.31Å; E72-R76 IonicContact OE1-NE 2.83Å; E72-R76 PolarHBondContact OE1-NE 3.28Å; E72-R76 IonicContact OE1-NH2 2.88Å; E72-R76 PolarHBondContact OE1-NH2 2.96Å |
| 73 | K | 95.2 | Very high | 92 | Very high | 128 Ų | 128 | 118.8 Ų | 118.8 | 56% | 0.557 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -64.4 | -38.9 | 178.2 | -168.3 | 175.4 | -175.8 | 177.2 | 0 | 112.1 | R69 K70 Q71 R77 | R69-K73 PolarHBondContact O-N 2.88Å; K70-K73 PolarHBondContact O-N 2.82Å; Q71-K73 VanDerWaalsContact C-N 3.33Å; Q71-K73 PolarHBondContact O-N 3.34Å; K73-R77 WeakPolarHBondContact O-CG 3.43Å; K73-R77 PolarHBondContact O-N 2.94Å; K73-R77 VanDerWaalsContact O-N 3.1Å |
| 74 | A | 95.1 | Very high | 92.7 | Very high | 49 Ų | 49 | 116.8 Ų | 116.8 | 41% | 0.405 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -64.9 | -45.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | K70 Q71 E72 R76 R77 L78 | K70-A74 PolarHBondContact O-N 3.35Å; Q71-A74 PolarHBondContact O-N 3.2Å; E72-A74 VanDerWaalsContact C-N 3.34Å; E72-A74 PolarHBondContact O-N 3.07Å; A74-R76 PolarHBondContact O-N 2.93Å; A74-R77 PolarHBondContact O-N 3.42Å; A74-L78 WeakPolarHBondContact O-CG 3.4Å; A74-L78 PolarHBondContact O-N 3.2Å |
| 75 | L | 96.4 | Very high | 93.2 | Very high | 101 Ų | 101 | 119.9 Ų | 119.9 | 53% | 0.529 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -60.5 | -43.4 | 175.7 | -73.5 | 171.9 | 0 | 0 | 0 | 112 | Q71 E72 R77 L78 H79 | Q71-L75 HydrophobicContact CG-CD1 4.24Å; Q71-L75 WeakPolarHBondContact O-CG 3.4Å; Q71-L75 PolarHBondContact O-N 3.48Å; E72-L75 PolarHBondContact O-N 3.44Å; L75-R77 VanDerWaalsContact C-N 3.34Å; L75-R77 PolarHBondContact O-N 3.01Å; L75-L78 PolarHBondContact O-N 3.2Å; L75-H79 WeakPolarHBondContact O-CB 3.12Å; L75-H79 PolarHBondContact O-N 3.46Å |
| 76 | R | 95.3 | Very high | 93.7 | Very high | 158 Ų | 158 | 116.5 Ų | 116.5 | 60% | 0.596 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -59.8 | -42.4 | 175 | -74.3 | -179.8 | -174.4 | -91 | 2.1 | 112.2 | E72 A74 H79 Q80 | E72-R76 WeakPolarHBondContact O-CG 3.5Å; E72-R76 PolarHBondContact O-N 3.2Å; E72-R76 IonicContact OE1-CZ 3.31Å; E72-R76 VanDerWaalsContact OE1-CZ 3.31Å; E72-R76 IonicContact OE1-NE 2.83Å; E72-R76 PolarHBondContact OE1-NE 3.28Å; E72-R76 IonicContact OE1-NH2 2.88Å; E72-R76 PolarHBondContact OE1-NH2 2.96Å; A74-R76 PolarHBondContact O-N 2.93Å; R76-H79 PolarHBondContact O-N 2.87Å; R76-Q80 WeakPolarHBondContact O-CG 3.38Å; R76-Q80 PolarHBondContact O-N 3.43Å |
| 77 | R | 96 | Very high | 93.8 | Very high | 149 Ų | 149 | 115.5 Ų | 115.5 | 56% | 0.562 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.3 | -44.5 | 176.5 | -74.4 | 177.8 | 175.5 | -163.6 | -4.4 | 112 | K73 A74 L75 H79 Q80 L81 | K73-R77 WeakPolarHBondContact O-CG 3.43Å; K73-R77 PolarHBondContact O-N 2.94Å; K73-R77 VanDerWaalsContact O-N 3.1Å; A74-R77 PolarHBondContact O-N 3.42Å; L75-R77 VanDerWaalsContact C-N 3.34Å; L75-R77 PolarHBondContact O-N 3.01Å; R77-H79 VanDerWaalsContact C-N 3.3Å; R77-H79 PolarHBondContact O-N 3.38Å; R77-Q80 PolarHBondContact O-N 3.26Å; R77-L81 WeakPolarHBondContact O-CG 3.3Å; R77-L81 PolarHBondContact O-N 3.1Å |
| 78 | L | 96.4 | Very high | 93.8 | Very high | 111 Ų | 111 | 115.4 Ų | 115.4 | 58% | 0.581 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -59.5 | -43.6 | 175.5 | -74.1 | 167.5 | 0 | 0 | 0 | 111.2 | A74 L75 L81 A82 | A74-L78 WeakPolarHBondContact O-CG 3.4Å; A74-L78 PolarHBondContact O-N 3.2Å; L75-L78 PolarHBondContact O-N 3.2Å; L78-L81 PolarHBondContact O-N 3.02Å; L78-A82 PolarHBondContact O-N 2.62Å |
| 79 | H | 96.3 | Very high | 93.4 | Very high | 118 Ų | 118 | 117.6 Ų | 117.6 | 55% | 0.546 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -61.6 | -44.9 | 177.2 | -166.9 | 92.7 | 0 | 0 | 0 | 112.1 | L75 R76 R77 L81 A82 Q83 | L75-H79 WeakPolarHBondContact O-CB 3.12Å; L75-H79 PolarHBondContact O-N 3.46Å; R76-H79 PolarHBondContact O-N 2.87Å; R77-H79 VanDerWaalsContact C-N 3.3Å; R77-H79 PolarHBondContact O-N 3.38Å; H79-L81 PolarHBondContact O-N 3.43Å; H79-A82 PolarHBondContact O-N 2.98Å; H79-Q83 PolarHBondContact CD2-NE2 3.31Å; H79-Q83 PolarHBondContact NE2-NE2 2.83Å; H79-Q83 VanDerWaalsContact NE2-NE2 3.11Å; H79-Q83 WeakPolarHBondContact O-CG 3.47Å; H79-Q83 PolarHBondContact O-N 3.38Å |
| 80 | Q | 96.3 | Very high | 92.5 | Very high | 119 Ų | 119 | 120.7 Ų | 120.7 | 56% | 0.556 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -60.6 | -43.5 | 175.9 | -74.9 | 175.9 | -27.4 | 0 | 0 | 112.4 | R76 R77 Q83 L84 | R76-Q80 WeakPolarHBondContact O-CG 3.38Å; R76-Q80 PolarHBondContact O-N 3.43Å; R77-Q80 PolarHBondContact O-N 3.26Å; Q80-Q83 PolarHBondContact O-N 2.9Å; Q80-L84 WeakPolarHBondContact O-CG 3.22Å; Q80-L84 PolarHBondContact O-N 3.18Å; Q80-L84 VanDerWaalsContact O-N 3.11Å |
| 81 | L | 96.1 | Very high | 92.5 | Very high | 107 Ų | 107 | 119.2 Ų | 119.2 | 56% | 0.56 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -63.7 | -41.4 | 177.5 | -69.8 | 171.9 | 0 | 0 | 0 | 111.9 | R77 L78 H79 Q83 L84 Q85 | R77-L81 WeakPolarHBondContact O-CG 3.3Å; R77-L81 PolarHBondContact O-N 3.1Å; L78-L81 PolarHBondContact O-N 3.02Å; H79-L81 PolarHBondContact O-N 3.43Å; L81-Q83 VanDerWaalsContact C-N 3.33Å; L81-Q83 PolarHBondContact O-N 3.09Å; L81-L84 PolarHBondContact O-N 3.28Å; L81-Q85 PolarHBondContact O-N 3.33Å |
| 82 | A | 94.9 | Very high | 92.5 | Very high | 54 Ų | 54 | 119.4 Ų | 119.4 | 45% | 0.446 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -62.8 | -39.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | L78 H79 Q85 Q86 | L78-A82 PolarHBondContact O-N 2.62Å; H79-A82 PolarHBondContact O-N 2.98Å; A82-Q85 PolarHBondContact O-N 3.34Å; A82-Q86 WeakPolarHBondContact O-CB 3.33Å; A82-Q86 PolarHBondContact O-N 3Å |
| 83 | Q | 94.9 | Very high | 92.5 | Very high | 92 Ų | 92 | 120.7 Ų | 120.7 | 43% | 0.43 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -61.1 | -49.2 | 175.1 | -72.9 | 175.5 | -32.2 | 0 | 0 | 111.7 | H79 Q80 L81 Q85 Q86 E87 | H79-Q83 PolarHBondContact CD2-NE2 3.31Å; H79-Q83 PolarHBondContact NE2-NE2 2.83Å; H79-Q83 VanDerWaalsContact NE2-NE2 3.11Å; H79-Q83 WeakPolarHBondContact O-CG 3.47Å; H79-Q83 PolarHBondContact O-N 3.38Å; Q80-Q83 PolarHBondContact O-N 2.9Å; L81-Q83 VanDerWaalsContact C-N 3.33Å; L81-Q83 PolarHBondContact O-N 3.09Å; Q83-Q85 VanDerWaalsContact C-N 3.32Å; Q83-Q85 PolarHBondContact O-N 3.41Å; Q83-Q86 WeakPolarHBondContact O-CB 3.44Å; Q83-Q86 PolarHBondContact O-N 3.3Å; Q83-Q86 VanDerWaalsContact O-N 3.08Å; Q83-E87 WeakPolarHBondContact O-CG 3.43Å; Q83-E87 PolarHBondContact O-N 3.49Å |
| 84 | L | 95.4 | Very high | 92.3 | Very high | 106 Ų | 106 | 120.2 Ų | 120.2 | 56% | 0.555 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -61 | -39.5 | 178.3 | -69.7 | 172.4 | 0 | 0 | 0 | 112.6 | Q80 L81 Q86 E87 S88 | Q80-L84 WeakPolarHBondContact O-CG 3.22Å; Q80-L84 PolarHBondContact O-N 3.18Å; Q80-L84 VanDerWaalsContact O-N 3.11Å; L81-L84 PolarHBondContact O-N 3.28Å; L84-Q86 VanDerWaalsContact C-N 3.32Å; L84-E87 PolarHBondContact O-N 3.17Å; L84-S88 WeakPolarHBondContact O-CB 3.32Å; L84-S88 PolarHBondContact O-N 2.99Å |
| 85 | Q | 93.6 | Very high | 92.1 | Very high | 130 Ų | 130 | 124.7 Ų | 124.7 | 61% | 0.607 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -63.8 | -39 | 174.5 | -78.1 | -166.6 | -45.2 | 0 | 0 | 112.1 | L81 A82 Q83 S88 Q89 | L81-Q85 PolarHBondContact O-N 3.33Å; A82-Q85 PolarHBondContact O-N 3.34Å; Q83-Q85 VanDerWaalsContact C-N 3.32Å; Q83-Q85 PolarHBondContact O-N 3.41Å; Q85-S88 PolarHBondContact O-N 2.86Å; Q85-Q89 WeakPolarHBondContact O-CG 3.45Å; Q85-Q89 PolarHBondContact O-N 2.92Å |
| 86 | Q | 92.6 | Very high | 91.8 | Very high | 116 Ų | 116 | 126.3 Ų | 126.3 | 54% | 0.542 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -68.8 | -37.8 | 177.8 | -162.8 | 179.2 | 11.7 | 0 | 0 | 111.7 | A82 Q83 L84 Q89 R90 | A82-Q86 WeakPolarHBondContact O-CB 3.33Å; A82-Q86 PolarHBondContact O-N 3Å; Q83-Q86 WeakPolarHBondContact O-CB 3.44Å; Q83-Q86 PolarHBondContact O-N 3.3Å; Q83-Q86 VanDerWaalsContact O-N 3.08Å; L84-Q86 VanDerWaalsContact C-N 3.32Å; Q86-Q89 PolarHBondContact O-N 3.35Å; Q86-R90 PolarHBondContact O-N 2.94Å |
| 87 | E | 90.4 | Very high | 91.6 | Very high | 122 Ų | 122 | 124 Ų | 124 | 57% | 0.57 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -66.5 | -39.8 | 173.3 | -70.5 | -179.6 | 113.2 | 0 | 0 | 112.1 | Q83 L84 Q89 R90 | Q83-E87 WeakPolarHBondContact O-CG 3.43Å; Q83-E87 PolarHBondContact O-N 3.49Å; L84-E87 PolarHBondContact O-N 3.17Å; E87-Q89 PolarHBondContact O-N 3.04Å; E87-R90 PolarHBondContact O-N 3.33Å |
| 88 | S | 87.3 | Confident | 91.3 | Very high | 102 Ų | 102 | 122.1 Ų | 122.1 | 71% | 0.713 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -68.7 | -20.1 | 176.5 | -178.4 | 0 | 0 | 0 | 0 | 114 | L84 Q85 | L84-S88 WeakPolarHBondContact O-CB 3.32Å; L84-S88 PolarHBondContact O-N 2.99Å; Q85-S88 PolarHBondContact O-N 2.86Å |
| 89 | Q | 80.1 | Confident | 90.8 | Very high | 161 Ų | 161 | 123 Ų | 123 | 75% | 0.752 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | -6.2 | 177.1 | -74 | 176.8 | 40.8 | 0 | 0 | 113 | Q85 Q86 E87 | Q85-Q89 WeakPolarHBondContact O-CG 3.45Å; Q85-Q89 PolarHBondContact O-N 2.92Å; Q86-Q89 PolarHBondContact O-N 3.35Å; E87-Q89 PolarHBondContact O-N 3.04Å |
| 90 | R | 72.1 | Confident | 90.3 | Very high | 249 Ų | 249 | 123.5 Ų | 123.5 | 94% | 0.94 | 61% | 0.607 | S | S | * | * | trans | -89.6 | 0 | 172.2 | -76.4 | -179.7 | 177 | 176.6 | 0.8 | 110.8 | Q86 E87 | Q86-R90 PolarHBondContact O-N 2.94Å; E87-R90 PolarHBondContact O-N 3.33Å |
Retrieved 90 of 90 residues in 19.7 ms
(Link to these results)