| 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 | 66.9 | Low | 89.4 | Confident | 196 Ų | 196 | 125.6 Ų | 125.6 | 97% | 0.966 | 61% | 0.609 | S | S | * | * | 0 | -40.9 | 0 | -144.1 | 174.2 | -172.7 | 0 | 0 | 112.5 | R4 K5 | M1-R4 PolarHBondContact O-N 2.77Å; M1-K5 PolarHBondContact O-N 3.39Å | |||
| 2 | Q | 78.2 | Confident | 90 | Very high | 118 Ų | 118 | 124.9 Ų | 124.9 | 55% | 0.551 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -60.9 | -43.7 | 179.1 | -166.9 | 65.4 | 4 | 0 | 0 | 114.2 | R4 K5 N6 | Q2-R4 VanDerWaalsContact C-N 3.28Å; Q2-R4 PolarHBondContact O-N 3.43Å; Q2-K5 WeakPolarHBondContact O-CB 3.42Å; Q2-K5 PolarHBondContact O-N 3.12Å; Q2-N6 PolarHBondContact NE2-OD1 2.95Å; Q2-N6 PolarHBondContact O-N 3.41Å; Q2-N6 PolarHBondContact O-OD1 3.45Å |
| 3 | T | 87.1 | Confident | 90.6 | Very high | 114 Ų | 114 | 122.9 Ų | 122.9 | 70% | 0.699 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -58.6 | -37.8 | 180 | -37.4 | 0 | 0 | 0 | 0 | 112.8 | N6 F7 | T3-N6 PolarHBondContact O-N 2.84Å; T3-F7 WeakPolarHBondContact O-CB 3.39Å; T3-F7 PolarHBondContact O-N 3.18Å |
| 4 | R | 90.1 | Very high | 91.1 | Very high | 207 Ų | 207 | 120.7 Ų | 120.7 | 78% | 0.781 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -68.1 | -36.7 | 175.2 | -70.9 | -171.3 | -177.9 | -175.7 | 0.8 | 112.3 | M1 Q2 R8 | M1-R4 PolarHBondContact O-N 2.77Å; Q2-R4 VanDerWaalsContact C-N 3.28Å; Q2-R4 PolarHBondContact O-N 3.43Å; R4-R8 WeakPolarHBondContact O-CG 3.44Å; R4-R8 PolarHBondContact O-N 3.25Å; R4-R8 VanDerWaalsContact O-N 3.08Å |
| 5 | K | 90.3 | Very high | 91.6 | Very high | 126 Ų | 126 | 118.1 Ų | 118.1 | 55% | 0.548 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -66.4 | -45.6 | 175 | -67.3 | -177.6 | 179.4 | -179.2 | 0 | 110.8 | M1 Q2 F7 R8 A9 | M1-K5 PolarHBondContact O-N 3.39Å; Q2-K5 WeakPolarHBondContact O-CB 3.42Å; Q2-K5 PolarHBondContact O-N 3.12Å; K5-F7 PolarHBondContact O-N 2.92Å; K5-R8 PolarHBondContact O-N 3.22Å; K5-A9 PolarHBondContact O-N 2.96Å |
| 6 | N | 92.9 | Very high | 92 | Very high | 91 Ų | 91 | 115.8 Ų | 115.8 | 49% | 0.487 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -61.7 | -43.9 | 177.4 | -65.6 | -0 | 0 | 0 | 0 | 111.5 | Q2 T3 A9 L10 | Q2-N6 PolarHBondContact NE2-OD1 2.95Å; Q2-N6 PolarHBondContact O-N 3.41Å; Q2-N6 PolarHBondContact O-OD1 3.45Å; T3-N6 PolarHBondContact O-N 2.84Å; N6-A9 PolarHBondContact O-N 3.39Å; N6-L10 WeakPolarHBondContact O-CB 3.47Å; N6-L10 PolarHBondContact O-N 3.42Å |
| 7 | F | 95.4 | Very high | 92.3 | Very high | 150 Ų | 150 | 114.7 Ų | 114.7 | 66% | 0.658 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -61.1 | -45.7 | 176.1 | -178.2 | -97.4 | 0 | 0 | 0 | 112.1 | T3 K5 A9 L10 A11 | T3-F7 WeakPolarHBondContact O-CB 3.39Å; T3-F7 PolarHBondContact O-N 3.18Å; K5-F7 PolarHBondContact O-N 2.92Å; F7-A9 VanDerWaalsContact C-N 3.35Å; F7-A9 PolarHBondContact O-N 3.38Å; F7-L10 PolarHBondContact O-N 3.1Å; F7-A11 WeakPolarHBondContact O-CB 3.39Å; F7-A11 PolarHBondContact O-N 3.2Å |
| 8 | R | 94.9 | Very high | 92.7 | Very high | 186 Ų | 186 | 112.6 Ų | 112.6 | 70% | 0.702 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -61.2 | -42 | 176.2 | -74.8 | 176.2 | 65 | 175.2 | 0.3 | 112.2 | R4 K5 A11 L12 | R4-R8 WeakPolarHBondContact O-CG 3.44Å; R4-R8 PolarHBondContact O-N 3.25Å; R4-R8 VanDerWaalsContact O-N 3.08Å; K5-R8 PolarHBondContact O-N 3.22Å; R8-A11 PolarHBondContact O-N 2.98Å; R8-L12 WeakPolarHBondContact O-CG 3.29Å; R8-L12 PolarHBondContact O-N 3.33Å |
| 9 | A | 94.7 | Very high | 92.9 | Very high | 51 Ų | 51 | 115.8 Ų | 115.8 | 42% | 0.421 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -62.8 | -47.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | K5 N6 F7 A11 L12 I13 | K5-A9 PolarHBondContact O-N 2.96Å; N6-A9 PolarHBondContact O-N 3.39Å; F7-A9 VanDerWaalsContact C-N 3.35Å; F7-A9 PolarHBondContact O-N 3.38Å; A9-A11 PolarHBondContact O-N 3.34Å; A9-L12 PolarHBondContact O-N 3.39Å; A9-I13 WeakPolarHBondContact O-CG1 3.37Å; A9-I13 PolarHBondContact O-N 2.87Å |
| 10 | L | 96.5 | Very high | 93.2 | Very high | 98 Ų | 98 | 115.6 Ų | 115.6 | 51% | 0.513 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -61.8 | -43.5 | 177.6 | -173.8 | 65.9 | 0 | 0 | 0 | 111.8 | N6 F7 L12 I13 I14 | N6-L10 WeakPolarHBondContact O-CB 3.47Å; N6-L10 PolarHBondContact O-N 3.42Å; F7-L10 PolarHBondContact O-N 3.1Å; L10-L12 VanDerWaalsContact C-N 3.34Å; L10-L12 PolarHBondContact O-N 2.87Å; L10-I13 PolarHBondContact O-N 2.97Å; L10-I14 HydrophobicContact CD1-CD1 4.41Å; L10-I14 HydrophobicContact CG-CD1 4.01Å; L10-I14 WeakPolarHBondContact O-CG1 3.47Å; L10-I14 PolarHBondContact O-N 2.86Å |
| 11 | A | 96.8 | Very high | 93.5 | Very high | 45 Ų | 45 | 116.6 Ų | 116.6 | 37% | 0.372 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -61.1 | -40.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | F7 R8 A9 I14 C15 | F7-A11 WeakPolarHBondContact O-CB 3.39Å; F7-A11 PolarHBondContact O-N 3.2Å; R8-A11 PolarHBondContact O-N 2.98Å; A9-A11 PolarHBondContact O-N 3.34Å; A11-I14 PolarHBondContact O-N 3.38Å; A11-C15 VanDerWaalsContact O-CB 3.23Å; A11-C15 WeakPolarHBondContact O-CB 3.31Å; A11-C15 PolarHBondContact O-N 3.23Å |
| 12 | L | 96.6 | Very high | 95 | Very high | 117 Ų | 117 | 112.6 Ų | 112.6 | 61% | 0.613 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66 | -39.5 | 175.6 | -75.1 | 170.6 | 0 | 0 | 0 | 112.3 | R8 A9 L10 T16 | R8-L12 WeakPolarHBondContact O-CG 3.29Å; R8-L12 PolarHBondContact O-N 3.33Å; A9-L12 PolarHBondContact O-N 3.39Å; L10-L12 VanDerWaalsContact C-N 3.34Å; L10-L12 PolarHBondContact O-N 2.87Å; L12-T16 WeakPolarHBondContact O-CB 3.35Å; L12-T16 PolarHBondContact O-N 2.83Å; L12-T16 PolarHBondContact O-OG1 3.31Å |
| 13 | I | 97.4 | Very high | 95.9 | Very high | 99 Ų | 99 | 108 Ų | 108 | 51% | 0.508 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.9 | -51.5 | 175.5 | -68.1 | 165.1 | 0 | 0 | 0 | 109.9 | A9 L10 C15 T16 L17 | A9-I13 WeakPolarHBondContact O-CG1 3.37Å; A9-I13 PolarHBondContact O-N 2.87Å; L10-I13 PolarHBondContact O-N 2.97Å; I13-C15 VanDerWaalsContact C-N 3.35Å; I13-C15 PolarHBondContact O-N 3.48Å; I13-T16 PolarHBondContact O-N 3.47Å; I13-L17 HydrophobicContact CG2-CD1 3.95Å; I13-L17 HydrophobicContact CG2-CG 4.46Å; I13-L17 WeakPolarHBondContact O-CG 3.39Å; I13-L17 PolarHBondContact O-N 2.98Å |
| 14 | I | 98 | Very high | 96.5 | Very high | 92 Ų | 92 | 105.5 Ų | 105.5 | 47% | 0.472 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59.5 | -46.9 | 179.5 | -66.6 | 168.4 | 0 | 0 | 0 | 110.5 | L10 A11 T16 L17 C18 | L10-I14 HydrophobicContact CD1-CD1 4.41Å; L10-I14 HydrophobicContact CG-CD1 4.01Å; L10-I14 WeakPolarHBondContact O-CG1 3.47Å; L10-I14 PolarHBondContact O-N 2.86Å; A11-I14 PolarHBondContact O-N 3.38Å; I14-T16 VanDerWaalsContact C-N 3.35Å; I14-T16 PolarHBondContact O-N 3.2Å; I14-L17 PolarHBondContact O-N 3.43Å; I14-C18 PolarHBondContact O-N 2.95Å; I14-C18 PolarHBondContact O-SG 2.99Å |
| 15 | C | 97.9 | Very high | 96.9 | Very high | 82 Ų | 82 | 100 Ų | 100 | 55% | 0.554 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60.2 | -43.3 | 178.4 | -176 | 0 | 0 | 0 | 0 | 112.2 | A11 I13 C18 Y19 | A11-C15 VanDerWaalsContact O-CB 3.23Å; A11-C15 WeakPolarHBondContact O-CB 3.31Å; A11-C15 PolarHBondContact O-N 3.23Å; I13-C15 VanDerWaalsContact C-N 3.35Å; I13-C15 PolarHBondContact O-N 3.48Å; C15-C18 PolarHBondContact O-N 2.9Å; C15-Y19 WeakPolarHBondContact O-CB 3.3Å; C15-Y19 PolarHBondContact O-N 3.47Å |
| 16 | T | 97.6 | Very high | 97.2 | Very high | 80 Ų | 80 | 97.3 Ų | 97.3 | 49% | 0.491 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.3 | -42.2 | 177.9 | -54.2 | 0 | 0 | 0 | 0 | 111.3 | L12 I13 I14 Y19 L20 | L12-T16 WeakPolarHBondContact O-CB 3.35Å; L12-T16 PolarHBondContact O-N 2.83Å; L12-T16 PolarHBondContact O-OG1 3.31Å; I13-T16 PolarHBondContact O-N 3.47Å; I14-T16 VanDerWaalsContact C-N 3.35Å; I14-T16 PolarHBondContact O-N 3.2Å; T16-Y19 PolarHBondContact O-N 2.94Å; T16-L20 HydrophobicContact CG2-CD1 4.33Å; T16-L20 WeakPolarHBondContact O-CB 3.48Å; T16-L20 WeakPolarHBondContact O-CG 3.4Å; T16-L20 PolarHBondContact O-N 3.42Å |
| 17 | L | 98.3 | Very high | 97.5 | Very high | 98 Ų | 98 | 99.5 Ų | 99.5 | 51% | 0.513 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.9 | -44.8 | 176.2 | -69.5 | 173.3 | 0 | 0 | 0 | 111.6 | I13 I14 Y19 L20 M21 | I13-L17 HydrophobicContact CG2-CD1 3.95Å; I13-L17 HydrophobicContact CG2-CG 4.46Å; I13-L17 WeakPolarHBondContact O-CG 3.39Å; I13-L17 PolarHBondContact O-N 2.98Å; I14-L17 PolarHBondContact O-N 3.43Å; L17-Y19 VanDerWaalsContact C-N 3.32Å; L17-Y19 PolarHBondContact O-N 3.35Å; L17-L20 PolarHBondContact O-N 2.84Å; L17-M21 WeakPolarHBondContact O-CG 3.28Å; L17-M21 PolarHBondContact O-N 3.24Å |
| 18 | C | 98.3 | Very high | 97.6 | Very high | 76 Ų | 76 | 97.5 Ų | 97.5 | 51% | 0.514 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61 | -41.2 | 174.9 | -68 | 0 | 0 | 0 | 0 | 112 | I14 C15 M21 L22 | I14-C18 PolarHBondContact O-N 2.95Å; I14-C18 PolarHBondContact O-SG 2.99Å; C15-C18 PolarHBondContact O-N 2.9Å; C18-M21 PolarHBondContact O-N 3.43Å; C18-L22 PolarHBondContact O-N 3.25Å |
| 19 | Y | 98.1 | Very high | 97.8 | Very high | 175 Ų | 175 | 92.3 Ų | 92.3 | 69% | 0.686 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.8 | -41.6 | 177.2 | -170.8 | -98.7 | 0 | 0 | 0 | 112 | C15 T16 L17 L22 G23 | C15-Y19 WeakPolarHBondContact O-CB 3.3Å; C15-Y19 PolarHBondContact O-N 3.47Å; T16-Y19 PolarHBondContact O-N 2.94Å; L17-Y19 VanDerWaalsContact C-N 3.32Å; L17-Y19 PolarHBondContact O-N 3.35Å; Y19-L22 PolarHBondContact O-N 3.46Å; Y19-G23 PolarHBondContact O-N 3.37Å |
| 20 | L | 98.3 | Very high | 97.9 | Very high | 110 Ų | 110 | 95.2 Ų | 95.2 | 58% | 0.576 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.6 | -42.7 | 173.8 | -76.8 | 169.8 | 0 | 0 | 0 | 111.9 | T16 L17 G23 A24 | T16-L20 HydrophobicContact CG2-CD1 4.33Å; T16-L20 WeakPolarHBondContact O-CB 3.48Å; T16-L20 WeakPolarHBondContact O-CG 3.4Å; T16-L20 PolarHBondContact O-N 3.42Å; L17-L20 PolarHBondContact O-N 2.84Å; L20-G23 PolarHBondContact O-N 3Å; L20-A24 WeakPolarHBondContact O-CB 3.34Å; L20-A24 PolarHBondContact O-N 3.45Å |
| 21 | M | 98.4 | Very high | 98 | Very high | 138 Ų | 138 | 96 Ų | 96 | 68% | 0.68 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.7 | -46 | 177.3 | -71 | -170.4 | 75.9 | 0 | 0 | 111.9 | L17 C18 G23 A24 T25 | L17-M21 WeakPolarHBondContact O-CG 3.28Å; L17-M21 PolarHBondContact O-N 3.24Å; C18-M21 PolarHBondContact O-N 3.43Å; M21-G23 VanDerWaalsContact C-N 3.33Å; M21-G23 PolarHBondContact O-N 3.38Å; M21-A24 PolarHBondContact O-N 3.13Å; M21-T25 PolarHBondContact O-N 3.22Å; M21-T25 PolarHBondContact O-OG1 2.94Å; M21-T25 VanDerWaalsContact O-OG1 3.09Å |
| 22 | L | 98.4 | Very high | 98 | Very high | 111 Ų | 111 | 96.2 Ų | 96.2 | 58% | 0.581 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -57.6 | -47.4 | 175.7 | -179.9 | 67.3 | 0 | 0 | 0 | 111.1 | C18 Y19 T25 V26 | C18-L22 PolarHBondContact O-N 3.25Å; Y19-L22 PolarHBondContact O-N 3.46Å; L22-T25 PolarHBondContact O-N 3.34Å; L22-V26 HydrophobicContact CD1-CG2 4.41Å; L22-V26 WeakPolarHBondContact O-CG2 3.27Å; L22-V26 PolarHBondContact O-N 3.49Å |
| 23 | G | 98.3 | Very high | 98 | Very high | 23 Ų | 23 | 96.2 Ų | 96.2 | 24% | 0.237 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -58.7 | -47.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y19 L20 M21 T25 V26 F27 | Y19-G23 PolarHBondContact O-N 3.37Å; L20-G23 PolarHBondContact O-N 3Å; M21-G23 VanDerWaalsContact C-N 3.33Å; M21-G23 PolarHBondContact O-N 3.38Å; G23-T25 PolarHBondContact O-N 2.93Å; G23-V26 PolarHBondContact O-N 2.93Å; G23-F27 WeakPolarHBondContact O-CB 3.42Å; G23-F27 WeakPolarHBondContact O-CD2 3.49Å; G23-F27 PolarHBondContact O-N 3.31Å |
| 24 | A | 98.4 | Very high | 98 | Very high | 60 Ų | 60 | 94.7 Ų | 94.7 | 50% | 0.496 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58.7 | -44.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | L20 M21 D28 | L20-A24 WeakPolarHBondContact O-CB 3.34Å; L20-A24 PolarHBondContact O-N 3.45Å; M21-A24 PolarHBondContact O-N 3.13Å; A24-D28 VanDerWaalsContact O-CB 3.27Å; A24-D28 WeakPolarHBondContact O-CB 3.31Å; A24-D28 PolarHBondContact O-N 3.45Å |
| 25 | T | 98.5 | Very high | 98 | Very high | 92 Ų | 92 | 93.6 Ų | 93.6 | 56% | 0.564 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.9 | -43.6 | 177.7 | -56.5 | 0 | 0 | 0 | 0 | 112.2 | M21 L22 G23 D28 A29 | M21-T25 PolarHBondContact O-N 3.22Å; M21-T25 PolarHBondContact O-OG1 2.94Å; M21-T25 VanDerWaalsContact O-OG1 3.09Å; L22-T25 PolarHBondContact O-N 3.34Å; G23-T25 PolarHBondContact O-N 2.93Å; T25-D28 PolarHBondContact O-N 2.91Å; T25-A29 WeakPolarHBondContact O-CB 3.41Å; T25-A29 PolarHBondContact O-N 3.2Å |
| 26 | V | 98.5 | Very high | 97.9 | Very high | 69 Ų | 69 | 92.6 Ų | 92.6 | 42% | 0.418 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.3 | -45.4 | 178.6 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | L22 G23 A29 L30 | L22-V26 HydrophobicContact CD1-CG2 4.41Å; L22-V26 WeakPolarHBondContact O-CG2 3.27Å; L22-V26 PolarHBondContact O-N 3.49Å; G23-V26 PolarHBondContact O-N 2.93Å; V26-A29 PolarHBondContact O-N 3.17Å; V26-L30 HydrophobicContact CG1-CD1 3.69Å; V26-L30 HydrophobicContact CG1-CG 4.33Å; V26-L30 WeakPolarHBondContact O-CB 3.35Å; V26-L30 VanDerWaalsContact O-CG 3.25Å; V26-L30 WeakPolarHBondContact O-CG 3.41Å; V26-L30 PolarHBondContact O-N 3.43Å |
| 27 | F | 98.4 | Very high | 97.9 | Very high | 137 Ų | 137 | 95.2 Ų | 95.2 | 60% | 0.601 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65 | -40.3 | 177.6 | -74.2 | -56.8 | 0 | 0 | 0 | 112.5 | G23 A29 L30 E31 | G23-F27 WeakPolarHBondContact O-CB 3.42Å; G23-F27 WeakPolarHBondContact O-CD2 3.49Å; G23-F27 PolarHBondContact O-N 3.31Å; F27-A29 VanDerWaalsContact C-N 3.35Å; F27-A29 PolarHBondContact O-N 2.85Å; F27-L30 PolarHBondContact O-N 3.14Å; F27-E31 WeakPolarHBondContact O-CB 3.28Å; F27-E31 PolarHBondContact O-N 2.97Å |
| 28 | D | 98.3 | Very high | 97.8 | Very high | 109 Ų | 109 | 96.9 Ų | 96.9 | 58% | 0.583 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.7 | -45.3 | 174.8 | -175.1 | 52.6 | 0 | 0 | 0 | 111.2 | A24 T25 L30 S32 | A24-D28 VanDerWaalsContact O-CB 3.27Å; A24-D28 WeakPolarHBondContact O-CB 3.31Å; A24-D28 PolarHBondContact O-N 3.45Å; T25-D28 PolarHBondContact O-N 2.91Å; D28-L30 VanDerWaalsContact C-N 3.32Å; D28-L30 PolarHBondContact O-N 3.36Å; D28-S32 WeakPolarHBondContact O-CB 3.45Å; D28-S32 PolarHBondContact O-N 3.43Å; D28-S32 VanDerWaalsContact O-N 3.11Å; D28-S32 PolarHBondContact O-OG 2.96Å |
| 29 | A | 97.9 | Very high | 97.7 | Very high | 77 Ų | 77 | 100.9 Ų | 100.9 | 64% | 0.636 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.4 | -34.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | T25 V26 F27 | T25-A29 WeakPolarHBondContact O-CB 3.41Å; T25-A29 PolarHBondContact O-N 3.2Å; V26-A29 PolarHBondContact O-N 3.17Å; F27-A29 VanDerWaalsContact C-N 3.35Å; F27-A29 PolarHBondContact O-N 2.85Å |
| 30 | L | 98 | Very high | 97.7 | Very high | 112 Ų | 112 | 97.9 Ų | 97.9 | 59% | 0.586 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -84.8 | -36.9 | -177.4 | -67.6 | 174.6 | 0 | 0 | 0 | 113.5 | V26 F27 D28 | V26-L30 HydrophobicContact CG1-CD1 3.69Å; V26-L30 HydrophobicContact CG1-CG 4.33Å; V26-L30 WeakPolarHBondContact O-CB 3.35Å; V26-L30 VanDerWaalsContact O-CG 3.25Å; V26-L30 WeakPolarHBondContact O-CG 3.41Å; V26-L30 PolarHBondContact O-N 3.43Å; F27-L30 PolarHBondContact O-N 3.14Å; D28-L30 VanDerWaalsContact C-N 3.32Å; D28-L30 PolarHBondContact O-N 3.36Å |
| 31 | E | 97.9 | Very high | 97.6 | Very high | 115 Ų | 115 | 98 Ų | 98 | 54% | 0.537 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -106.5 | -23.9 | -167.4 | -65.3 | -66.8 | 155.8 | 0 | 0 | 114.1 | F27 E33 T34 D35 | F27-E31 WeakPolarHBondContact O-CB 3.28Å; F27-E31 PolarHBondContact O-N 2.97Å; E31-E33 PolarHBondContact O-N 3.19Å; E31-T34 PolarHBondContact O-N 2.88Å; E31-D35 PolarHBondContact O-N 3.37Å |
| 32 | S | 97.2 | Very high | 97.4 | Very high | 48 Ų | 48 | 96.1 Ų | 96.1 | 34% | 0.336 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.6 | -42.8 | -171.4 | 59.7 | 0 | 0 | 0 | 0 | 113.8 | D28 S36 | D28-S32 WeakPolarHBondContact O-CB 3.45Å; D28-S32 PolarHBondContact O-N 3.43Å; D28-S32 VanDerWaalsContact O-N 3.11Å; D28-S32 PolarHBondContact O-OG 2.96Å; S32-S36 WeakPolarHBondContact O-CB 3.43Å; S32-S36 PolarHBondContact O-N 3.43Å; S32-S36 PolarHBondContact O-OG 3.32Å |
| 33 | E | 96.9 | Very high | 97.2 | Very high | 118 Ų | 118 | 93.1 Ų | 93.1 | 55% | 0.551 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67 | -41 | 178.8 | -164.7 | -160.9 | 148.5 | 0 | 0 | 111.2 | E31 S36 R37 | E31-E33 PolarHBondContact O-N 3.19Å; E33-S36 PolarHBondContact O-N 2.95Å; E33-R37 WeakPolarHBondContact O-CB 3.2Å; E33-R37 WeakPolarHBondContact O-CG 3.49Å; E33-R37 PolarHBondContact O-N 3.46Å; E33-R37 PolarHBondContact O-NE 3.41Å; E33-R37 IonicContact OE1-CZ 3.06Å; E33-R37 IonicContact OE1-NE 3.54Å; E33-R37 PolarHBondContact OE1-NE 3.02Å; E33-R37 IonicContact OE1-NH1 3.36Å; E33-R37 PolarHBondContact OE1-NH1 3.31Å; E33-R37 VanDerWaalsContact OE1-NH1 3.16Å; E33-R37 IonicContact OE1-NH2 3.16Å; E33-R37 IonicContact OE2-NH2 3.14Å |
| 34 | T | 96.5 | Very high | 97 | Very high | 67 Ų | 67 | 93.4 Ų | 93.4 | 41% | 0.411 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69 | -42.2 | -179.9 | -59.4 | 0 | 0 | 0 | 0 | 111.4 | E31 S36 R37 K38 | E31-T34 PolarHBondContact O-N 2.88Å; T34-S36 VanDerWaalsContact C-N 3.34Å; T34-S36 PolarHBondContact O-N 3.37Å; T34-R37 PolarHBondContact O-N 2.89Å; T34-R37 PolarHBondContact OG1-NH2 3.43Å; T34-K38 WeakPolarHBondContact O-CB 3.49Å; T34-K38 PolarHBondContact O-N 2.91Å |
| 35 | D | 97 | Very high | 96.8 | Very high | 68 Ų | 68 | 94 Ų | 94 | 36% | 0.364 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.4 | -43.9 | 173.4 | -170.2 | 50.3 | 0 | 0 | 0 | 111 | E31 R37 K38 R39 | E31-D35 PolarHBondContact O-N 3.37Å; D35-R37 PolarHBondContact O-N 3.29Å; D35-K38 PolarHBondContact O-N 3.31Å; D35-R39 WeakPolarHBondContact O-CG 3.39Å; D35-R39 PolarHBondContact O-N 3.3Å; D35-R39 IonicContact OD1-NE 3.73Å; D35-R39 IonicContact OD2-CZ 3.49Å; D35-R39 IonicContact OD2-NE 2.75Å; D35-R39 PolarHBondContact OD2-NE 2.99Å; D35-R39 IonicContact OD2-NH2 3.45Å; D35-R39 PolarHBondContact OD2-NH2 2.97Å |
| 36 | S | 97.3 | Very high | 96.5 | Very high | 62 Ų | 62 | 92.4 Ų | 92.4 | 43% | 0.434 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.8 | -45.2 | 177.1 | -62.4 | 0 | 0 | 0 | 0 | 112.2 | S32 E33 T34 R39 N40 | S32-S36 WeakPolarHBondContact O-CB 3.43Å; S32-S36 PolarHBondContact O-N 3.43Å; S32-S36 PolarHBondContact O-OG 3.32Å; E33-S36 PolarHBondContact O-N 2.95Å; T34-S36 VanDerWaalsContact C-N 3.34Å; T34-S36 PolarHBondContact O-N 3.37Å; S36-R39 PolarHBondContact O-N 3.42Å; S36-N40 WeakPolarHBondContact O-CB 3.49Å; S36-N40 VanDerWaalsContact O-CG 3.25Å; S36-N40 PolarHBondContact O-N 3.41Å; S36-N40 PolarHBondContact O-ND2 2.83Å |
| 37 | R | 97.3 | Very high | 96.3 | Very high | 134 Ų | 134 | 95 Ų | 95 | 51% | 0.506 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.4 | -44.1 | 174.9 | -76.4 | -178.2 | -70.6 | -168.2 | -1 | 111.8 | E33 T34 D35 N40 L41 | E33-R37 WeakPolarHBondContact O-CB 3.2Å; E33-R37 WeakPolarHBondContact O-CG 3.49Å; E33-R37 PolarHBondContact O-N 3.46Å; E33-R37 PolarHBondContact O-NE 3.41Å; E33-R37 IonicContact OE1-CZ 3.06Å; E33-R37 IonicContact OE1-NE 3.54Å; E33-R37 PolarHBondContact OE1-NE 3.02Å; E33-R37 IonicContact OE1-NH1 3.36Å; E33-R37 PolarHBondContact OE1-NH1 3.31Å; E33-R37 VanDerWaalsContact OE1-NH1 3.16Å; E33-R37 IonicContact OE1-NH2 3.16Å; E33-R37 IonicContact OE2-NH2 3.14Å; T34-R37 PolarHBondContact O-N 2.89Å; T34-R37 PolarHBondContact OG1-NH2 3.43Å; D35-R37 PolarHBondContact O-N 3.29Å; R37-N40 PolarHBondContact O-N 2.95Å; R37-L41 WeakPolarHBondContact O-CB 3.29Å; R37-L41 PolarHBondContact O-N 3.47Å |
| 38 | K | 96.4 | Very high | 96.1 | Very high | 134 Ų | 134 | 97 Ų | 97 | 58% | 0.583 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63 | -43 | 178.1 | -171.3 | 177 | -179.5 | 177.4 | 0 | 111.8 | T34 D35 L41 L42 | T34-K38 WeakPolarHBondContact O-CB 3.49Å; T34-K38 PolarHBondContact O-N 2.91Å; D35-K38 PolarHBondContact O-N 3.31Å; K38-L41 PolarHBondContact O-N 3.1Å; K38-L42 HydrophobicContact CG-CD1 4.19Å; K38-L42 WeakPolarHBondContact O-CB 3.35Å; K38-L42 VanDerWaalsContact O-CG 3.3Å; K38-L42 WeakPolarHBondContact O-CG 3.48Å; K38-L42 PolarHBondContact O-N 2.95Å |
| 39 | R | 96.4 | Very high | 95.9 | Very high | 159 Ų | 159 | 95.4 Ų | 95.4 | 60% | 0.6 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.4 | -44.8 | 174.7 | -72.4 | 177.6 | -171.7 | -110.7 | 1.8 | 112.1 | D35 S36 L42 S43 | D35-R39 WeakPolarHBondContact O-CG 3.39Å; D35-R39 PolarHBondContact O-N 3.3Å; D35-R39 IonicContact OD1-NE 3.73Å; D35-R39 IonicContact OD2-CZ 3.49Å; D35-R39 IonicContact OD2-NE 2.75Å; D35-R39 PolarHBondContact OD2-NE 2.99Å; D35-R39 IonicContact OD2-NH2 3.45Å; D35-R39 PolarHBondContact OD2-NH2 2.97Å; S36-R39 PolarHBondContact O-N 3.42Å; R39-L42 PolarHBondContact O-N 2.74Å; R39-S43 WeakPolarHBondContact O-CB 3.17Å; R39-S43 PolarHBondContact O-N 3.43Å; R39-S43 PolarHBondContact O-OG 2.8Å |
| 40 | N | 96.9 | Very high | 95.7 | Very high | 113 Ų | 113 | 95.9 Ų | 95.9 | 60% | 0.604 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -63.4 | -43.3 | 177.6 | -72.3 | -22 | 0 | 0 | 0 | 111.5 | S36 R37 S43 G44 | S36-N40 WeakPolarHBondContact O-CB 3.49Å; S36-N40 VanDerWaalsContact O-CG 3.25Å; S36-N40 PolarHBondContact O-N 3.41Å; S36-N40 PolarHBondContact O-ND2 2.83Å; R37-N40 PolarHBondContact O-N 2.95Å; N40-S43 PolarHBondContact O-N 2.93Å; N40-S43 PolarHBondContact O-OG 2.91Å; N40-G44 PolarHBondContact O-N 3.45Å |
| 41 | L | 96.2 | Very high | 95.6 | Very high | 111 Ų | 111 | 99.6 Ų | 99.6 | 58% | 0.581 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -60.1 | -49.5 | 174.4 | 177.8 | 63.1 | 0 | 0 | 0 | 111.8 | R37 K38 G44 L45 | R37-L41 WeakPolarHBondContact O-CB 3.29Å; R37-L41 PolarHBondContact O-N 3.47Å; K38-L41 PolarHBondContact O-N 3.1Å; L41-G44 PolarHBondContact O-N 2.97Å; L41-L45 HydrophobicContact CD1-CD1 4.21Å; L41-L45 HydrophobicContact CD1-CG 4.33Å; L41-L45 HydrophobicContact CG-CD1 4.08Å; L41-L45 WeakPolarHBondContact O-CG 3.41Å; L41-L45 PolarHBondContact O-N 3Å |
| 42 | L | 94.2 | Very high | 95.5 | Very high | 100 Ų | 100 | 101.3 Ų | 101.3 | 52% | 0.524 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.9 | -43 | -179.7 | -74.5 | 171.8 | 0 | 0 | 0 | 112 | K38 R39 G44 L45 E46 | K38-L42 HydrophobicContact CG-CD1 4.19Å; K38-L42 WeakPolarHBondContact O-CB 3.35Å; K38-L42 VanDerWaalsContact O-CG 3.3Å; K38-L42 WeakPolarHBondContact O-CG 3.48Å; K38-L42 PolarHBondContact O-N 2.95Å; R39-L42 PolarHBondContact O-N 2.74Å; L42-G44 VanDerWaalsContact C-N 3.32Å; L42-G44 PolarHBondContact O-N 3.49Å; L42-L45 PolarHBondContact O-N 2.93Å; L42-E46 WeakPolarHBondContact O-CB 3.14Å; L42-E46 PolarHBondContact O-N 3.42Å |
| 43 | S | 94.2 | Very high | 95.4 | Very high | 47 Ų | 47 | 105.4 Ų | 105.4 | 33% | 0.329 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.4 | -34.5 | 176.7 | 70.9 | 0 | 0 | 0 | 0 | 112.4 | R39 N40 K47 | R39-S43 WeakPolarHBondContact O-CB 3.17Å; R39-S43 PolarHBondContact O-N 3.43Å; R39-S43 PolarHBondContact O-OG 2.8Å; N40-S43 PolarHBondContact O-N 2.93Å; N40-S43 PolarHBondContact O-OG 2.91Å; S43-K47 WeakPolarHBondContact O-CG 3.33Å; S43-K47 PolarHBondContact O-N 3.36Å; S43-K47 VanDerWaalsContact O-N 3.08Å |
| 44 | G | 95.1 | Very high | 95.2 | Very high | 30 Ų | 30 | 106.5 Ų | 106.5 | 31% | 0.309 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.7 | -44.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | N40 L41 L42 K47 R48 | N40-G44 PolarHBondContact O-N 3.45Å; L41-G44 PolarHBondContact O-N 2.97Å; L42-G44 VanDerWaalsContact C-N 3.32Å; L42-G44 PolarHBondContact O-N 3.49Å; G44-K47 PolarHBondContact O-N 2.87Å; G44-R48 WeakPolarHBondContact O-CG 3.24Å; G44-R48 PolarHBondContact O-N 3.44Å |
| 45 | L | 93.6 | Very high | 95 | Very high | 71 Ų | 71 | 106.7 Ų | 106.7 | 37% | 0.372 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.4 | -43.4 | 175.7 | -74.1 | 171.2 | 0 | 0 | 0 | 112 | L41 L42 K47 R48 L49 | L41-L45 HydrophobicContact CD1-CD1 4.21Å; L41-L45 HydrophobicContact CD1-CG 4.33Å; L41-L45 HydrophobicContact CG-CD1 4.08Å; L41-L45 WeakPolarHBondContact O-CG 3.41Å; L41-L45 PolarHBondContact O-N 3Å; L42-L45 PolarHBondContact O-N 2.93Å; L45-K47 PolarHBondContact O-N 2.99Å; L45-R48 PolarHBondContact O-N 3.43Å; L45-L49 WeakPolarHBondContact O-CG 3.28Å; L45-L49 PolarHBondContact O-N 3.34Å |
| 46 | E | 92.9 | Very high | 94.8 | Very high | 59 Ų | 59 | 106.8 Ų | 106.8 | 28% | 0.276 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -55.1 | -52.8 | 173.1 | 166.8 | 175.7 | 165 | 0 | 0 | 110.8 | L42 R48 L49 R50 F60 | L42-E46 WeakPolarHBondContact O-CB 3.14Å; L42-E46 PolarHBondContact O-N 3.42Å; E46-R48 VanDerWaalsContact C-N 3.26Å; E46-R48 PolarHBondContact O-N 2.83Å; E46-L49 PolarHBondContact O-N 3.33Å; E46-R50 HydrophobicContact CG-CG 4.29Å; E46-R50 WeakPolarHBondContact O-CB 3.44Å; E46-R50 WeakPolarHBondContact O-CG 3.37Å; E46-R50 PolarHBondContact O-N 2.69Å; E46-R50 IonicContact OE1-NH1 2.63Å; E46-R50 PolarHBondContact OE1-NH1 3.47Å; E46-F60 HydrophobicContact CB-CE1 3.96Å; E46-F60 HydrophobicContact CB-CZ 4.01Å; E46-F60 HydrophobicContact CG-CD1 3.94Å; E46-F60 HydrophobicContact CG-CE1 3.39Å; E46-F60 HydrophobicContact CG-CZ 3.77Å |
| 47 | K | 94 | Very high | 94.5 | Very high | 123 Ų | 123 | 104.9 Ų | 104.9 | 54% | 0.535 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.1 | -40 | 179.6 | -74.7 | 172.9 | -176 | 174.8 | 0 | 111.6 | S43 G44 L45 R51 | S43-K47 WeakPolarHBondContact O-CG 3.33Å; S43-K47 PolarHBondContact O-N 3.36Å; S43-K47 VanDerWaalsContact O-N 3.08Å; G44-K47 PolarHBondContact O-N 2.87Å; L45-K47 PolarHBondContact O-N 2.99Å; K47-R51 WeakPolarHBondContact O-CG 3.37Å; K47-R51 PolarHBondContact O-N 3.02Å; K47-R51 VanDerWaalsContact O-N 3.15Å |
| 48 | R | 94.6 | Very high | 94.2 | Very high | 180 Ų | 180 | 103 Ų | 103 | 68% | 0.679 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.3 | -46.1 | 176.8 | -75.4 | 177.6 | 66.6 | -167.3 | 1.3 | 112.1 | G44 L45 E46 R51 K52 | G44-R48 WeakPolarHBondContact O-CG 3.24Å; G44-R48 PolarHBondContact O-N 3.44Å; L45-R48 PolarHBondContact O-N 3.43Å; E46-R48 VanDerWaalsContact C-N 3.26Å; E46-R48 PolarHBondContact O-N 2.83Å; R48-R51 PolarHBondContact O-N 2.95Å; R48-K52 VanDerWaalsContact O-CB 3.24Å; R48-K52 WeakPolarHBondContact O-CB 3.33Å; R48-K52 PolarHBondContact O-N 3.15Å |
| 49 | L | 93.8 | Very high | 94 | Very high | 75 Ų | 75 | 100.5 Ų | 100.5 | 39% | 0.393 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.9 | -44.6 | 179.4 | -74.4 | 171.7 | 0 | 0 | 0 | 111.6 | L45 E46 R51 K52 Y53 F60 | L45-L49 WeakPolarHBondContact O-CG 3.28Å; L45-L49 PolarHBondContact O-N 3.34Å; E46-L49 PolarHBondContact O-N 3.33Å; L49-R51 VanDerWaalsContact C-N 3.34Å; L49-R51 PolarHBondContact O-N 3.41Å; L49-K52 PolarHBondContact O-N 3.32Å; L49-Y53 HydrophobicContact CD2-CD2 4.05Å; L49-Y53 HydrophobicContact CD2-CE2 3.69Å; L49-Y53 PolarHBondContact O-N 2.96Å; L49-F60 HydrophobicContact CB-CE2 4.13Å; L49-F60 HydrophobicContact CD1-CE2 4.42Å |
| 50 | R | 94.6 | Very high | 93.9 | Very high | 87 Ų | 87 | 93.6 Ų | 93.6 | 33% | 0.328 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -59.9 | -42.6 | 178.2 | -71.8 | 179.6 | 64.8 | -173.9 | -3.9 | 112.3 | E46 N54 F55 G57 F60 | E46-R50 HydrophobicContact CG-CG 4.29Å; E46-R50 WeakPolarHBondContact O-CB 3.44Å; E46-R50 WeakPolarHBondContact O-CG 3.37Å; E46-R50 PolarHBondContact O-N 2.69Å; E46-R50 IonicContact OE1-NH1 2.63Å; E46-R50 PolarHBondContact OE1-NH1 3.47Å; R50-N54 CarbonylContact O-C 3.49Å; R50-N54 WeakPolarHBondContact O-CA 3.47Å; R50-N54 PolarHBondContact O-N 3.48Å; R50-F55 HydrophobicContact CG-CB 4.24Å; R50-F55 PolarHBondContact O-N 3.34Å; R50-G57 VanDerWaalsContact NH2-CA 3.32Å; R50-F60 HydrophobicContact CG-CB 4.1Å; R50-F60 HydrophobicContact CG-CD1 4.39Å; R50-F60 HydrophobicContact CG-CD2 3.66Å; R50-F60 HydrophobicContact CG-CE2 4.16Å; R50-F60 HydrophobicContact CG-CG 3.78Å |
| 51 | R | 94.5 | Very high | 93.6 | Very high | 190 Ų | 190 | 94.6 Ų | 94.6 | 72% | 0.717 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -71.1 | -42.7 | 175.4 | -67.8 | -178.5 | -147.3 | 177.3 | 3.3 | 112.9 | K47 R48 L49 Y53 N54 | K47-R51 WeakPolarHBondContact O-CG 3.37Å; K47-R51 PolarHBondContact O-N 3.02Å; K47-R51 VanDerWaalsContact O-N 3.15Å; R48-R51 PolarHBondContact O-N 2.95Å; L49-R51 VanDerWaalsContact C-N 3.34Å; L49-R51 PolarHBondContact O-N 3.41Å; R51-Y53 VanDerWaalsContact C-N 3.34Å; R51-Y53 PolarHBondContact O-N 2.83Å; R51-N54 PolarHBondContact O-OD1 2.96Å |
| 52 | K | 95.9 | Very high | 93.5 | Very high | 152 Ų | 152 | 93.8 Ų | 93.8 | 66% | 0.661 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -64.7 | -38.1 | -176.1 | -177.4 | 176.6 | 179.5 | -174.1 | 0 | 112.4 | R48 L49 | R48-K52 VanDerWaalsContact O-CB 3.24Å; R48-K52 WeakPolarHBondContact O-CB 3.33Å; R48-K52 PolarHBondContact O-N 3.15Å; L49-K52 PolarHBondContact O-N 3.32Å |
| 53 | Y | 94.6 | Very high | 93.5 | Very high | 133 Ų | 133 | 92.4 Ų | 92.4 | 52% | 0.522 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111 | 10.1 | -176.1 | -59.9 | -70.2 | 0 | 0 | 0 | 113.4 | L49 R51 F55 | L49-Y53 HydrophobicContact CD2-CD2 4.05Å; L49-Y53 HydrophobicContact CD2-CE2 3.69Å; L49-Y53 PolarHBondContact O-N 2.96Å; R51-Y53 VanDerWaalsContact C-N 3.34Å; R51-Y53 PolarHBondContact O-N 2.83Å; Y53-F55 VanDerWaalsContact C-N 3.28Å; Y53-F55 HydrophobicContact CD2-CE2 4.45Å; Y53-F55 HydrophobicContact CG-CE2 4.48Å; Y53-F55 PolarHBondContact O-N 2.95Å |
| 54 | N | 94.2 | Very high | 93.4 | Very high | 141 Ų | 141 | 93.8 Ų | 93.8 | 75% | 0.754 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 39.3 | -179 | -67 | -24.4 | 0 | 0 | 0 | 114.5 | R50 R51 T56 | R50-N54 CarbonylContact O-C 3.49Å; R50-N54 WeakPolarHBondContact O-CA 3.47Å; R50-N54 PolarHBondContact O-N 3.48Å; R51-N54 PolarHBondContact O-OD1 2.96Å; N54-T56 PolarHBondContact O-N 3.35Å |
| 55 | F | 92.3 | Very high | 93.3 | Very high | 71 Ų | 71 | 95.6 Ų | 95.6 | 31% | 0.311 | 45% | 0.449 | S | S | . | . | trans | -71.7 | 129.7 | 175.4 | -74.6 | -55.7 | 0 | 0 | 0 | 111.6 | R50 Y53 D59 F60 L63 | R50-F55 HydrophobicContact CG-CB 4.24Å; R50-F55 PolarHBondContact O-N 3.34Å; Y53-F55 VanDerWaalsContact C-N 3.28Å; Y53-F55 HydrophobicContact CD2-CE2 4.45Å; Y53-F55 HydrophobicContact CG-CE2 4.48Å; Y53-F55 PolarHBondContact O-N 2.95Å; F55-D59 HydrophobicContact CD1-CB 3.97Å; F55-F60 HydrophobicContact CB-CB 4.28Å; F55-F60 HydrophobicContact CB-CD2 4.39Å; F55-F60 AromaticContact CD2-CD2 3.99Å; F55-F60 HydrophobicContact CD2-CD2 3.99Å; F55-F60 HydrophobicContact CG-CD2 4.41Å; F55-L63 HydrophobicContact CE2-CD2 3.87Å; F55-L63 HydrophobicContact CZ-CD2 4Å | ||
| 56 | T | 92.5 | Very high | 93.2 | Very high | 71 Ų | 71 | 96.5 Ų | 96.5 | 44% | 0.436 | 46% | 0.457 | S | S | . | . | trans | -65.2 | 164.2 | 164.5 | 71.3 | 0 | 0 | 0 | 0 | 110.4 | N54 D58 D59 F60 | N54-T56 PolarHBondContact O-N 3.35Å; T56-D58 PolarHBondContact O-N 3.42Å; T56-D59 WeakPolarHBondContact CB-OD2 3.29Å; T56-D59 PolarHBondContact OG1-N 2.85Å; T56-D59 PolarHBondContact OG1-OD2 3.26Å; T56-F60 PolarHBondContact O-N 3.24Å; T56-F60 VanDerWaalsContact O-N 3.13Å | ||
| 57 | G | 89.7 | Confident | 93.2 | Very high | 21 Ų | 21 | 97 Ų | 97 | 22% | 0.216 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -61.8 | -31 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | R50 R61 | R50-G57 VanDerWaalsContact NH2-CA 3.32Å; G57-R61 WeakPolarHBondContact O-CG 3.23Å; G57-R61 PolarHBondContact O-N 3.36Å; G57-R61 PolarHBondContact O-NH1 3.04Å; G57-R61 VanDerWaalsContact O-NH1 3.12Å |
| 58 | D | 92.5 | Very high | 93 | Very high | 96 Ų | 96 | 96.6 Ų | 96.6 | 51% | 0.513 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -78.2 | -45.6 | -178.7 | -63.2 | -11.6 | 0 | 0 | 0 | 110.9 | T56 F60 R61 V62 | T56-D58 PolarHBondContact O-N 3.42Å; D58-F60 VanDerWaalsContact C-N 3.27Å; D58-F60 PolarHBondContact O-N 3.5Å; D58-R61 PolarHBondContact O-N 3.22Å; D58-R61 VanDerWaalsContact O-N 3.09Å; D58-R61 IonicContact OD1-CZ 3.06Å; D58-R61 IonicContact OD1-NH1 2.71Å; D58-R61 PolarHBondContact OD1-NH1 3.43Å; D58-R61 IonicContact OD1-NH2 3.96Å; D58-R61 PolarHBondContact OD1-NH2 3.01Å; D58-V62 WeakPolarHBondContact O-CG2 3.49Å; D58-V62 PolarHBondContact O-N 2.93Å |
| 59 | D | 92.4 | Very high | 92.6 | Very high | 80 Ų | 80 | 97.3 Ų | 97.3 | 43% | 0.428 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -59.7 | -40.4 | 176.8 | -60.6 | -35.3 | 0 | 0 | 0 | 111.6 | F55 T56 R61 V62 L63 | F55-D59 HydrophobicContact CD1-CB 3.97Å; T56-D59 WeakPolarHBondContact CB-OD2 3.29Å; T56-D59 PolarHBondContact OG1-N 2.85Å; T56-D59 PolarHBondContact OG1-OD2 3.26Å; D59-R61 VanDerWaalsContact C-N 3.34Å; D59-R61 PolarHBondContact O-N 2.81Å; D59-V62 PolarHBondContact O-N 2.91Å; D59-L63 PolarHBondContact O-N 3.3Å |
| 60 | F | 92.6 | Very high | 92.4 | Very high | 14 Ų | 14 | 95.6 Ų | 95.6 | 6% | 0.061 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -65.8 | -37.4 | 177.9 | -163.7 | -99.4 | 0 | 0 | 0 | 112 | E46 L49 R50 F55 T56 D58 L63 Q64 | E46-F60 HydrophobicContact CB-CE1 3.96Å; E46-F60 HydrophobicContact CB-CZ 4.01Å; E46-F60 HydrophobicContact CG-CD1 3.94Å; E46-F60 HydrophobicContact CG-CE1 3.39Å; E46-F60 HydrophobicContact CG-CZ 3.77Å; L49-F60 HydrophobicContact CB-CE2 4.13Å; L49-F60 HydrophobicContact CD1-CE2 4.42Å; R50-F60 HydrophobicContact CG-CB 4.1Å; R50-F60 HydrophobicContact CG-CD1 4.39Å; R50-F60 HydrophobicContact CG-CD2 3.66Å; R50-F60 HydrophobicContact CG-CE2 4.16Å; R50-F60 HydrophobicContact CG-CG 3.78Å; F55-F60 HydrophobicContact CB-CB 4.28Å; F55-F60 HydrophobicContact CB-CD2 4.39Å; F55-F60 AromaticContact CD2-CD2 3.99Å; F55-F60 HydrophobicContact CD2-CD2 3.99Å; F55-F60 HydrophobicContact CG-CD2 4.41Å; T56-F60 PolarHBondContact O-N 3.24Å; T56-F60 VanDerWaalsContact O-N 3.13Å; D58-F60 VanDerWaalsContact C-N 3.27Å; D58-F60 PolarHBondContact O-N 3.5Å; F60-L63 HydrophobicContact CD2-CD2 4.41Å; F60-L63 HydrophobicContact CE2-CD2 4.44Å; F60-L63 WeakPolarHBondContact O-CB 3.37Å; F60-L63 PolarHBondContact O-N 3.33Å; F60-Q64 HydrophobicContact CD1-CG 3.97Å; F60-Q64 VanDerWaalsContact CE1-CD 3.46Å; F60-Q64 HydrophobicContact CE1-CG 3.74Å; F60-Q64 HydrophobicContact CZ-CG 4.43Å; F60-Q64 WeakPolarHBondContact O-CG 3.39Å; F60-Q64 PolarHBondContact O-N 3.49Å |
| 61 | R | 92.3 | Very high | 92 | Very high | 135 Ų | 135 | 96.2 Ų | 96.2 | 51% | 0.509 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.5 | -38.4 | 174 | -72.3 | -167.1 | -44.4 | -86.8 | 8.8 | 112 | G57 D58 D59 Q64 T65 | G57-R61 WeakPolarHBondContact O-CG 3.23Å; G57-R61 PolarHBondContact O-N 3.36Å; G57-R61 PolarHBondContact O-NH1 3.04Å; G57-R61 VanDerWaalsContact O-NH1 3.12Å; D58-R61 PolarHBondContact O-N 3.22Å; D58-R61 VanDerWaalsContact O-N 3.09Å; D58-R61 IonicContact OD1-CZ 3.06Å; D58-R61 IonicContact OD1-NH1 2.71Å; D58-R61 PolarHBondContact OD1-NH1 3.43Å; D58-R61 IonicContact OD1-NH2 3.96Å; D58-R61 PolarHBondContact OD1-NH2 3.01Å; D59-R61 VanDerWaalsContact C-N 3.34Å; D59-R61 PolarHBondContact O-N 2.81Å; R61-Q64 PolarHBondContact O-N 3.43Å; R61-T65 WeakPolarHBondContact O-CB 3.49Å; R61-T65 PolarHBondContact O-N 3.4Å; R61-T65 PolarHBondContact O-OG1 3.03Å |
| 62 | V | 93.7 | Very high | 91.3 | Very high | 93 Ų | 93 | 89.8 Ų | 89.8 | 56% | 0.564 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -61.3 | -47 | 173.4 | 174.6 | 0 | 0 | 0 | 0 | 109.8 | D58 D59 Q64 T65 V66 | D58-V62 WeakPolarHBondContact O-CG2 3.49Å; D58-V62 PolarHBondContact O-N 2.93Å; D59-V62 PolarHBondContact O-N 2.91Å; V62-Q64 PolarHBondContact O-N 3.43Å; V62-T65 WeakPolarHBondContact O-CB 3.36Å; V62-T65 PolarHBondContact O-N 3.27Å; V62-T65 VanDerWaalsContact O-N 3.17Å; V62-V66 WeakPolarHBondContact O-CG2 3.39Å; V62-V66 PolarHBondContact O-N 2.9Å |
| 63 | L | 92.6 | Very high | 90.6 | Very high | 72 Ų | 72 | 89 Ų | 89 | 38% | 0.377 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -58.5 | -48.4 | 176 | -179.9 | 63.8 | 0 | 0 | 0 | 112 | F55 D59 F60 T65 V66 V67 | F55-L63 HydrophobicContact CE2-CD2 3.87Å; F55-L63 HydrophobicContact CZ-CD2 4Å; D59-L63 PolarHBondContact O-N 3.3Å; F60-L63 HydrophobicContact CD2-CD2 4.41Å; F60-L63 HydrophobicContact CE2-CD2 4.44Å; F60-L63 WeakPolarHBondContact O-CB 3.37Å; F60-L63 PolarHBondContact O-N 3.33Å; L63-T65 VanDerWaalsContact C-N 3.29Å; L63-T65 PolarHBondContact O-N 3.02Å; L63-V66 PolarHBondContact O-N 3.29Å; L63-V67 HydrophobicContact CD1-CG2 4.45Å; L63-V67 WeakPolarHBondContact O-CG2 3.3Å; L63-V67 PolarHBondContact O-N 2.98Å |
| 64 | Q | 92.6 | Very high | 89.9 | Confident | 76 Ų | 76 | 90.6 Ų | 90.6 | 36% | 0.355 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -57.9 | -42.5 | 175.7 | -75.1 | 175.5 | -52.6 | 0 | 0 | 111.6 | F60 R61 V62 V67 I68 | F60-Q64 HydrophobicContact CD1-CG 3.97Å; F60-Q64 VanDerWaalsContact CE1-CD 3.46Å; F60-Q64 HydrophobicContact CE1-CG 3.74Å; F60-Q64 HydrophobicContact CZ-CG 4.43Å; F60-Q64 WeakPolarHBondContact O-CG 3.39Å; F60-Q64 PolarHBondContact O-N 3.49Å; R61-Q64 PolarHBondContact O-N 3.43Å; V62-Q64 PolarHBondContact O-N 3.43Å; Q64-V67 PolarHBondContact O-N 2.84Å; Q64-I68 WeakPolarHBondContact O-CB 3.42Å; Q64-I68 VanDerWaalsContact O-CG1 3.3Å; Q64-I68 WeakPolarHBondContact O-CG1 3.44Å; Q64-I68 PolarHBondContact O-N 3.37Å |
| 65 | T | 92.4 | Very high | 89.1 | Confident | 68 Ų | 68 | 87.4 Ų | 87.4 | 42% | 0.417 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 178.4 | -59 | 0 | 0 | 0 | 0 | 111.4 | R61 V62 L63 R69 | R61-T65 WeakPolarHBondContact O-CB 3.49Å; R61-T65 PolarHBondContact O-N 3.4Å; R61-T65 PolarHBondContact O-OG1 3.03Å; V62-T65 WeakPolarHBondContact O-CB 3.36Å; V62-T65 PolarHBondContact O-N 3.27Å; V62-T65 VanDerWaalsContact O-N 3.17Å; L63-T65 VanDerWaalsContact C-N 3.29Å; L63-T65 PolarHBondContact O-N 3.02Å; T65-R69 HydrophobicContact CG2-CG 4.48Å; T65-R69 WeakPolarHBondContact O-CB 3.41Å; T65-R69 VanDerWaalsContact O-CG 3.32Å; T65-R69 WeakPolarHBondContact O-CG 3.36Å; T65-R69 PolarHBondContact O-N 3.47Å |
| 66 | V | 92.7 | Very high | 88.6 | Confident | 90 Ų | 90 | 85.7 Ų | 85.7 | 55% | 0.545 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.5 | -46.1 | 175.6 | 172.6 | 0 | 0 | 0 | 0 | 110.5 | V62 L63 R69 S70 | V62-V66 WeakPolarHBondContact O-CG2 3.39Å; V62-V66 PolarHBondContact O-N 2.9Å; L63-V66 PolarHBondContact O-N 3.29Å; V66-R69 PolarHBondContact O-N 3.27Å; V66-S70 VanDerWaalsContact O-CB 3.3Å; V66-S70 WeakPolarHBondContact O-CB 3.3Å; V66-S70 PolarHBondContact O-N 3.29Å; V66-S70 PolarHBondContact O-OG 2.95Å |
| 67 | V | 92.4 | Very high | 87.9 | Confident | 70 Ų | 70 | 90.1 Ų | 90.1 | 42% | 0.424 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.5 | -53.1 | 178.2 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | L63 Q64 R69 S70 I71 | L63-V67 HydrophobicContact CD1-CG2 4.45Å; L63-V67 WeakPolarHBondContact O-CG2 3.3Å; L63-V67 PolarHBondContact O-N 2.98Å; Q64-V67 PolarHBondContact O-N 2.84Å; V67-R69 VanDerWaalsContact C-N 3.35Å; V67-R69 PolarHBondContact O-N 2.98Å; V67-S70 PolarHBondContact O-N 3.46Å; V67-S70 PolarHBondContact O-OG 3.33Å; V67-I71 WeakPolarHBondContact O-CG1 3.48Å; V67-I71 PolarHBondContact O-N 3.47Å |
| 68 | I | 89.7 | Confident | 87.7 | Confident | 113 Ų | 113 | 90.9 Ų | 90.9 | 58% | 0.579 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -60.1 | -44 | -178.5 | -68.3 | 168 | 0 | 0 | 0 | 111.1 | Q64 S70 I71 | Q64-I68 WeakPolarHBondContact O-CB 3.42Å; Q64-I68 VanDerWaalsContact O-CG1 3.3Å; Q64-I68 WeakPolarHBondContact O-CG1 3.44Å; Q64-I68 PolarHBondContact O-N 3.37Å; I68-S70 VanDerWaalsContact C-N 3.26Å; I68-S70 PolarHBondContact O-N 2.9Å; I68-I71 PolarHBondContact O-N 2.93Å |
| 69 | R | 87.6 | Confident | 87.5 | Confident | 195 Ų | 195 | 92.5 Ų | 92.5 | 74% | 0.736 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -68.2 | -24.4 | 177.5 | -72.6 | -174.5 | 177 | -166.6 | 1.3 | 113.4 | T65 V66 V67 | T65-R69 HydrophobicContact CG2-CG 4.48Å; T65-R69 WeakPolarHBondContact O-CB 3.41Å; T65-R69 VanDerWaalsContact O-CG 3.32Å; T65-R69 WeakPolarHBondContact O-CG 3.36Å; T65-R69 PolarHBondContact O-N 3.47Å; V66-R69 PolarHBondContact O-N 3.27Å; V67-R69 VanDerWaalsContact C-N 3.35Å; V67-R69 PolarHBondContact O-N 2.98Å |
| 70 | S | 87.7 | Confident | 87.4 | Confident | 40 Ų | 40 | 95.2 Ų | 95.2 | 28% | 0.28 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -80.7 | -22.8 | 177.4 | 76.2 | 0 | 0 | 0 | 0 | 113.9 | V66 V67 I68 Q73 K74 | V66-S70 VanDerWaalsContact O-CB 3.3Å; V66-S70 WeakPolarHBondContact O-CB 3.3Å; V66-S70 PolarHBondContact O-N 3.29Å; V66-S70 PolarHBondContact O-OG 2.95Å; V67-S70 PolarHBondContact O-N 3.46Å; V67-S70 PolarHBondContact O-OG 3.33Å; I68-S70 VanDerWaalsContact C-N 3.26Å; I68-S70 PolarHBondContact O-N 2.9Å; S70-Q73 WeakPolarHBondContact O-CB 3.42Å; S70-Q73 PolarHBondContact O-N 3.25Å; S70-K74 PolarHBondContact O-N 2.86Å |
| 71 | I | 86.4 | Confident | 87.5 | Confident | 100 Ų | 100 | 102.8 Ų | 102.8 | 51% | 0.513 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -53.2 | -50 | -175.5 | -68.9 | 166.7 | 0 | 0 | 0 | 112.3 | V67 I68 Q73 K74 | V67-I71 WeakPolarHBondContact O-CG1 3.48Å; V67-I71 PolarHBondContact O-N 3.47Å; I68-I71 PolarHBondContact O-N 2.93Å; I71-Q73 PolarHBondContact O-N 2.96Å; I71-K74 WeakPolarHBondContact O-CB 3.3Å; I71-K74 PolarHBondContact O-N 2.99Å; I71-K74 VanDerWaalsContact O-N 3.15Å |
| 72 | P | 81.1 | Confident | 87.5 | Confident | 54 Ų | 54 | 100.1 Ų | 100.1 | 35% | 0.351 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.7 | -29.5 | 179.8 | -21.8 | 34.2 | 0 | 0 | 0 | 113.3 | K74 A75 | P72-K74 VanDerWaalsContact C-N 3.31Å; P72-A75 PolarHBondContact O-N 3.29Å |
| 73 | Q | 79.8 | Confident | 87.5 | Confident | 137 Ų | 137 | 96.8 Ų | 96.8 | 64% | 0.64 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -74.4 | -22.7 | 179.9 | -57.8 | -64.7 | -22.5 | 0 | 0 | 112.2 | S70 I71 A75 G76 | S70-Q73 WeakPolarHBondContact O-CB 3.42Å; S70-Q73 PolarHBondContact O-N 3.25Å; I71-Q73 PolarHBondContact O-N 2.96Å; Q73-A75 PolarHBondContact O-N 3.13Å; Q73-G76 PolarHBondContact O-N 3.2Å; Q73-G76 VanDerWaalsContact O-N 3.15Å |
| 74 | K | 80.2 | Confident | 87.6 | Confident | 166 Ų | 166 | 95 Ų | 95 | 72% | 0.722 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.6 | -25.2 | 176.3 | -68.7 | -171.6 | 176.6 | -173.5 | 0 | 113 | S70 I71 P72 G76 | S70-K74 PolarHBondContact O-N 2.86Å; I71-K74 WeakPolarHBondContact O-CB 3.3Å; I71-K74 PolarHBondContact O-N 2.99Å; I71-K74 VanDerWaalsContact O-N 3.15Å; P72-K74 VanDerWaalsContact C-N 3.31Å; K74-G76 PolarHBondContact O-N 3.05Å |
| 75 | A | 78.3 | Confident | 87.7 | Confident | 74 Ų | 74 | 97.6 Ų | 97.6 | 61% | 0.612 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | 8.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | P72 Q73 Q78 | P72-A75 PolarHBondContact O-N 3.29Å; Q73-A75 PolarHBondContact O-N 3.13Å; A75-Q78 VanDerWaalsContact CB-NE2 3.33Å; A75-Q78 PolarHBondContact O-NE2 3.08Å; A75-Q78 VanDerWaalsContact O-NE2 3.08Å |
| 76 | G | 81.3 | Confident | 87.8 | Confident | 35 Ų | 35 | 99 Ų | 99 | 36% | 0.361 | 51% | 0.506 | S | S | . | . | trans | 82.2 | -169.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q73 K74 Q78 | Q73-G76 PolarHBondContact O-N 3.2Å; Q73-G76 VanDerWaalsContact O-N 3.15Å; K74-G76 PolarHBondContact O-N 3.05Å; G76-Q78 PolarHBondContact O-N 3.36Å; G76-Q78 PolarHBondContact O-NE2 3.5Å | ||
| 77 | F | 79 | Confident | 87.9 | Confident | 163 Ų | 163 | 96.1 Ų | 96.1 | 72% | 0.715 | 49% | 0.486 | S | S | * | . | trans | -68.4 | 92.8 | -175.5 | -67.2 | -77.3 | 0 | 0 | 0 | 112.5 | W79 K80 | F77-W79 VanDerWaalsContact C-N 3.3Å; F77-W79 PolarHBondContact O-N 3.2Å; F77-K80 HydrophobicContact CB-CD 4.11Å; F77-K80 HydrophobicContact CB-CG 4.01Å | ||
| 78 | Q | 84 | Confident | 88.1 | Confident | 37 Ų | 37 | 93.9 Ų | 93.9 | 17% | 0.173 | 48% | 0.475 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -21.4 | -177.9 | -60.8 | -63.5 | -72.9 | 0 | 0 | 114.7 | A75 G76 G83 H99 S100 | A75-Q78 VanDerWaalsContact CB-NE2 3.33Å; A75-Q78 PolarHBondContact O-NE2 3.08Å; A75-Q78 VanDerWaalsContact O-NE2 3.08Å; G76-Q78 PolarHBondContact O-N 3.36Å; G76-Q78 PolarHBondContact O-NE2 3.5Å; Q78-G83 CarbonylContact O-C 3.26Å; Q78-G83 VanDerWaalsContact O-C 3.26Å; Q78-G83 WeakPolarHBondContact O-CA 3.33Å; Q78-H99 PolarHBondContact OE1-ND1 3.16Å; Q78-S100 WeakPolarHBondContact CB-OG 3.49Å; Q78-S100 WeakPolarHBondContact CG-OG 3.37Å; Q78-S100 PolarHBondContact OE1-OG 3.03Å |
| 79 | W | 89.2 | Confident | 88.5 | Confident | 131 Ų | 131 | 91 Ų | 91 | 50% | 0.496 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | 14.7 | -172.6 | -66.8 | 106.7 | 0 | 0 | 0 | 114.6 | F77 A84 F87 | F77-W79 VanDerWaalsContact C-N 3.3Å; F77-W79 PolarHBondContact O-N 3.2Å; W79-A84 HydrophobicContact CE3-CB 4.39Å; W79-F87 HydrophobicContact CH2-CB 4.39Å; W79-F87 AromaticContact CH2-CD1 3.78Å; W79-F87 HydrophobicContact CH2-CD1 3.78Å; W79-F87 AromaticContact CH2-CD2 4Å; W79-F87 HydrophobicContact CH2-CD2 4Å; W79-F87 HydrophobicContact CH2-CE1 4.04Å; W79-F87 HydrophobicContact CH2-CE2 4.25Å; W79-F87 AromaticContact CH2-CG 3.76Å; W79-F87 HydrophobicContact CH2-CG 3.76Å; W79-F87 HydrophobicContact CH2-CZ 4.27Å; W79-F87 HydrophobicContact CZ3-CB 4.24Å; W79-F87 AromaticContact CZ3-CD1 3.81Å; W79-F87 HydrophobicContact CZ3-CD1 3.81Å; W79-F87 HydrophobicContact CZ3-CE1 4.38Å; W79-F87 AromaticContact CZ3-CG 3.96Å; W79-F87 HydrophobicContact CZ3-CG 3.96Å |
| 80 | K | 90.8 | Very high | 88.9 | Confident | 137 Ų | 137 | 82.4 Ų | 82.4 | 60% | 0.596 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -69 | 164 | 160.2 | -71.5 | -171.8 | 179 | -175.3 | 0 | 109.3 | F77 A82 G83 A84 | F77-K80 HydrophobicContact CB-CD 4.11Å; F77-K80 HydrophobicContact CB-CG 4.01Å; K80-A82 VanDerWaalsContact C-N 3.28Å; K80-A82 PolarHBondContact O-N 3.02Å; K80-A82 VanDerWaalsContact O-N 3.1Å; K80-G83 PolarHBondContact O-N 3.45Å; K80-A84 PolarHBondContact O-N 3.05Å |
| 81 | F | 93.5 | Very high | 89.4 | Confident | 173 Ų | 173 | 81.6 Ų | 81.6 | 76% | 0.759 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -47.2 | -46.5 | -173.7 | -178 | -97.4 | 0 | 0 | 0 | 113.9 | G83 A84 F85 | F81-G83 PolarHBondContact O-N 3.34Å; F81-A84 PolarHBondContact O-N 3.45Å; F81-F85 VanDerWaalsContact O-CB 3.28Å; F81-F85 WeakPolarHBondContact O-CB 3.36Å; F81-F85 PolarHBondContact O-N 3.39Å |
| 82 | A | 93 | Very high | 89.9 | Confident | 79 Ų | 79 | 78.5 Ų | 78.5 | 65% | 0.653 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -59.3 | -44.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | K80 Y86 | K80-A82 VanDerWaalsContact C-N 3.28Å; K80-A82 PolarHBondContact O-N 3.02Å; K80-A82 VanDerWaalsContact O-N 3.1Å; A82-Y86 WeakPolarHBondContact O-CB 3.2Å; A82-Y86 PolarHBondContact O-N 3.01Å |
| 83 | G | 92.7 | Very high | 90.6 | Very high | 22 Ų | 22 | 77.6 Ų | 77.6 | 23% | 0.227 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -73.2 | -34.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q78 K80 F81 Y86 F87 | Q78-G83 CarbonylContact O-C 3.26Å; Q78-G83 VanDerWaalsContact O-C 3.26Å; Q78-G83 WeakPolarHBondContact O-CA 3.33Å; K80-G83 PolarHBondContact O-N 3.45Å; F81-G83 PolarHBondContact O-N 3.34Å; G83-Y86 PolarHBondContact O-N 2.92Å; G83-F87 WeakPolarHBondContact O-CB 3.24Å; G83-F87 PolarHBondContact O-N 3.48Å |
| 84 | A | 94.8 | Very high | 91.4 | Very high | 34 Ų | 34 | 75.8 Ų | 75.8 | 28% | 0.281 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -65.8 | -40.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | W79 K80 F81 F87 A88 | W79-A84 HydrophobicContact CE3-CB 4.39Å; K80-A84 PolarHBondContact O-N 3.05Å; F81-A84 PolarHBondContact O-N 3.45Å; A84-F87 PolarHBondContact O-N 3.27Å; A84-A88 WeakPolarHBondContact O-CB 3.46Å; A84-A88 PolarHBondContact O-N 2.95Å |
| 85 | F | 96 | Very high | 92.2 | Very high | 132 Ų | 132 | 71.4 Ų | 71.4 | 58% | 0.579 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -64.5 | -43.2 | 174.4 | -178.4 | -94.8 | 0 | 0 | 0 | 111.5 | F81 A88 T89 | F81-F85 VanDerWaalsContact O-CB 3.28Å; F81-F85 WeakPolarHBondContact O-CB 3.36Å; F81-F85 PolarHBondContact O-N 3.39Å; F85-A88 PolarHBondContact O-N 3.48Å; F85-T89 WeakPolarHBondContact O-CB 3.26Å; F85-T89 PolarHBondContact O-N 3.21Å; F85-T89 PolarHBondContact O-OG1 3.13Å |
| 86 | Y | 94.4 | Very high | 92.9 | Very high | 96 Ų | 96 | 70.4 Ų | 70.4 | 38% | 0.376 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -58.5 | -48.8 | 172.1 | 177.1 | -84.8 | 0 | 0 | 0 | 111.3 | A82 G83 A88 T89 V90 Y97 H99 | A82-Y86 WeakPolarHBondContact O-CB 3.2Å; A82-Y86 PolarHBondContact O-N 3.01Å; G83-Y86 PolarHBondContact O-N 2.92Å; Y86-A88 PolarHBondContact O-N 3.3Å; Y86-T89 WeakPolarHBondContact O-CB 3.31Å; Y86-T89 PolarHBondContact O-N 3.43Å; Y86-T89 VanDerWaalsContact O-N 3.15Å; Y86-V90 HydrophobicContact CD1-CG1 4.29Å; Y86-V90 HydrophobicContact CE1-CG1 3.73Å; Y86-V90 HydrophobicContact CE1-CG2 4.38Å; Y86-V90 HydrophobicContact CE2-CG1 4.33Å; Y86-V90 PolarHBondContact O-N 2.91Å; Y86-Y97 HydrophobicContact CE1-CD2 4.37Å; Y86-Y97 AromaticContact CZ-CD2 3.99Å; Y86-Y97 WeakPolarHBondContact OH-CD2 3.4Å; Y86-Y97 WeakPolarHBondContact OH-CE2 3.32Å; Y86-H99 AromaticContact CE1-CE1 3.54Å; Y86-H99 AromaticContact CE1-NE2 3.14Å; Y86-H99 WeakPolarHBondContact CE1-NE2 3.27Å; Y86-H99 AromaticContact CZ-NE2 3.83Å |
| 87 | F | 95.3 | Very high | 93.4 | Very high | 31 Ų | 31 | 76 Ų | 76 | 14% | 0.136 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -57.2 | -47.9 | 176.3 | 175.1 | -98.2 | 0 | 0 | 0 | 111.7 | W79 G83 A84 T89 V90 V91 S100 P102 | W79-F87 HydrophobicContact CH2-CB 4.39Å; W79-F87 AromaticContact CH2-CD1 3.78Å; W79-F87 HydrophobicContact CH2-CD1 3.78Å; W79-F87 AromaticContact CH2-CD2 4Å; W79-F87 HydrophobicContact CH2-CD2 4Å; W79-F87 HydrophobicContact CH2-CE1 4.04Å; W79-F87 HydrophobicContact CH2-CE2 4.25Å; W79-F87 AromaticContact CH2-CG 3.76Å; W79-F87 HydrophobicContact CH2-CG 3.76Å; W79-F87 HydrophobicContact CH2-CZ 4.27Å; W79-F87 HydrophobicContact CZ3-CB 4.24Å; W79-F87 AromaticContact CZ3-CD1 3.81Å; W79-F87 HydrophobicContact CZ3-CD1 3.81Å; W79-F87 HydrophobicContact CZ3-CE1 4.38Å; W79-F87 AromaticContact CZ3-CG 3.96Å; W79-F87 HydrophobicContact CZ3-CG 3.96Å; G83-F87 WeakPolarHBondContact O-CB 3.24Å; G83-F87 PolarHBondContact O-N 3.48Å; A84-F87 PolarHBondContact O-N 3.27Å; F87-T89 VanDerWaalsContact C-N 3.26Å; F87-T89 PolarHBondContact O-N 3.01Å; F87-V90 WeakPolarHBondContact O-CG2 3.35Å; F87-V90 PolarHBondContact O-N 3.26Å; F87-V91 HydrophobicContact CD1-CG2 4.31Å; F87-V91 HydrophobicContact CD2-CG2 4.4Å; F87-V91 HydrophobicContact CE1-CG2 3.82Å; F87-V91 HydrophobicContact CE2-CG2 3.92Å; F87-V91 HydrophobicContact CZ-CG2 3.59Å; F87-V91 VanDerWaalsContact O-CG2 3.31Å; F87-V91 WeakPolarHBondContact O-CG2 3.44Å; F87-V91 PolarHBondContact O-N 3.36Å; F87-V91 VanDerWaalsContact O-N 3.08Å; F87-S100 WeakPolarHBondContact CD2-O 3.48Å; F87-S100 WeakPolarHBondContact CE2-O 3.47Å; F87-P102 HydrophobicContact CE1-CG 4.14Å; F87-P102 HydrophobicContact CE2-CG 4.37Å; F87-P102 HydrophobicContact CZ-CG 3.59Å |
| 88 | A | 96.7 | Very high | 94 | Very high | 23 Ų | 23 | 70.7 Ų | 70.7 | 19% | 0.19 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -59 | -38.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A84 F85 Y86 I92 Y114 | A84-A88 WeakPolarHBondContact O-CB 3.46Å; A84-A88 PolarHBondContact O-N 2.95Å; F85-A88 PolarHBondContact O-N 3.48Å; Y86-A88 PolarHBondContact O-N 3.3Å; A88-I92 WeakPolarHBondContact O-CG1 3.19Å; A88-I92 PolarHBondContact O-N 2.88Å; A88-Y114 HydrophobicContact CB-CE1 4.19Å; A88-Y114 PolarHBondContact O-OH 3.15Å |
| 89 | T | 96.8 | Very high | 94 | Very high | 53 Ų | 53 | 72.8 Ų | 72.8 | 33% | 0.325 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.6 | -47.5 | 177.3 | -56.4 | 0 | 0 | 0 | 0 | 111.8 | F85 Y86 F87 V91 I92 T93 | F85-T89 WeakPolarHBondContact O-CB 3.26Å; F85-T89 PolarHBondContact O-N 3.21Å; F85-T89 PolarHBondContact O-OG1 3.13Å; Y86-T89 WeakPolarHBondContact O-CB 3.31Å; Y86-T89 PolarHBondContact O-N 3.43Å; Y86-T89 VanDerWaalsContact O-N 3.15Å; F87-T89 VanDerWaalsContact C-N 3.26Å; F87-T89 PolarHBondContact O-N 3.01Å; T89-V91 VanDerWaalsContact C-N 3.26Å; T89-V91 PolarHBondContact O-N 3.08Å; T89-I92 WeakPolarHBondContact O-CG1 3.26Å; T89-I92 PolarHBondContact O-N 3.39Å; T89-T93 HydrophobicContact CG2-CG2 4.29Å; T89-T93 WeakPolarHBondContact O-CB 3.3Å; T89-T93 VanDerWaalsContact O-CG2 3.3Å; T89-T93 WeakPolarHBondContact O-CG2 3.21Å; T89-T93 PolarHBondContact O-N 3.25Å; T89-T93 PolarHBondContact O-OG1 3.03Å |
| 90 | V | 96.4 | Very high | 93.8 | Very high | 14 Ų | 14 | 67.2 Ų | 67.2 | 9% | 0.085 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -69.5 | -23.8 | -178.9 | -60.9 | 0 | 0 | 0 | 0 | 113.1 | Y86 F87 T93 T94 V95 G96 Y97 | Y86-V90 HydrophobicContact CD1-CG1 4.29Å; Y86-V90 HydrophobicContact CE1-CG1 3.73Å; Y86-V90 HydrophobicContact CE1-CG2 4.38Å; Y86-V90 HydrophobicContact CE2-CG1 4.33Å; Y86-V90 PolarHBondContact O-N 2.91Å; F87-V90 WeakPolarHBondContact O-CG2 3.35Å; F87-V90 PolarHBondContact O-N 3.26Å; V90-T93 WeakPolarHBondContact CA-OG1 3.36Å; V90-T93 PolarHBondContact O-OG1 3.48Å; V90-T94 PolarHBondContact O-N 3.25Å; V90-V95 HydrophobicContact CB-CB 4.34Å; V90-V95 PolarHBondContact O-N 2.92Å; V90-G96 PolarHBondContact O-N 3Å; V90-Y97 HydrophobicContact CG1-CD2 3.87Å; V90-Y97 HydrophobicContact CG1-CE2 3.95Å |
| 91 | V | 97.2 | Very high | 93.9 | Very high | 22 Ų | 22 | 65 Ų | 65 | 13% | 0.133 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -71.2 | -52.5 | 173 | 170.9 | 0 | 0 | 0 | 0 | 111 | F87 T89 T93 T94 Y114 A115 | F87-V91 HydrophobicContact CD1-CG2 4.31Å; F87-V91 HydrophobicContact CD2-CG2 4.4Å; F87-V91 HydrophobicContact CE1-CG2 3.82Å; F87-V91 HydrophobicContact CE2-CG2 3.92Å; F87-V91 HydrophobicContact CZ-CG2 3.59Å; F87-V91 VanDerWaalsContact O-CG2 3.31Å; F87-V91 WeakPolarHBondContact O-CG2 3.44Å; F87-V91 PolarHBondContact O-N 3.36Å; F87-V91 VanDerWaalsContact O-N 3.08Å; T89-V91 VanDerWaalsContact C-N 3.26Å; T89-V91 PolarHBondContact O-N 3.08Å; V91-T93 VanDerWaalsContact C-N 3.31Å; V91-T93 PolarHBondContact O-N 3.08Å; V91-T94 PolarHBondContact O-N 3.33Å; V91-T94 VanDerWaalsContact O-N 3.13Å; V91-Y114 HydrophobicContact CB-CD1 4.38Å; V91-Y114 HydrophobicContact CB-CE1 4.2Å; V91-Y114 HydrophobicContact CG1-CD1 3.8Å; V91-Y114 HydrophobicContact CG1-CE1 4.04Å; V91-A115 HydrophobicContact CG1-CB 3.91Å |
| 92 | I | 97.3 | Very high | 93.8 | Very high | 35 Ų | 35 | 57.8 Ų | 57.8 | 18% | 0.179 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -70.4 | -28.3 | -177.5 | 63.9 | 176.5 | 0 | 0 | 0 | 113 | A88 T89 T94 Y114 N122 | A88-I92 WeakPolarHBondContact O-CG1 3.19Å; A88-I92 PolarHBondContact O-N 2.88Å; T89-I92 WeakPolarHBondContact O-CG1 3.26Å; T89-I92 PolarHBondContact O-N 3.39Å; I92-T94 VanDerWaalsContact C-N 3.25Å; I92-T94 PolarHBondContact O-N 3.37Å; I92-Y114 HydrophobicContact CG2-CD1 4.3Å; I92-Y114 HydrophobicContact CG2-CE1 3.42Å; I92-Y114 VanDerWaalsContact CG2-CE1 3.42Å; I92-Y114 HydrophobicContact CG2-CE2 4.42Å; I92-Y114 VanDerWaalsContact CG2-CZ 3.48Å; I92-Y114 VanDerWaalsContact CG2-OH 3.3Å; I92-Y114 WeakPolarHBondContact CG2-OH 3.49Å; I92-N122 HydrophobicContact CB-CB 4.16Å; I92-N122 HydrophobicContact CG1-CB 4.46Å; I92-N122 PolarHBondContact O-ND2 3.27Å |
| 93 | T | 96.7 | Very high | 93.8 | Very high | 36 Ų | 36 | 58.5 Ų | 58.5 | 22% | 0.221 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -2.4 | 174.7 | 56.3 | 0 | 0 | 0 | 0 | 113 | T89 V90 V91 V95 F126 | T89-T93 HydrophobicContact CG2-CG2 4.29Å; T89-T93 WeakPolarHBondContact O-CB 3.3Å; T89-T93 VanDerWaalsContact O-CG2 3.3Å; T89-T93 WeakPolarHBondContact O-CG2 3.21Å; T89-T93 PolarHBondContact O-N 3.25Å; T89-T93 PolarHBondContact O-OG1 3.03Å; V90-T93 WeakPolarHBondContact CA-OG1 3.36Å; V90-T93 PolarHBondContact O-OG1 3.48Å; V91-T93 VanDerWaalsContact C-N 3.31Å; V91-T93 PolarHBondContact O-N 3.08Å; T93-V95 PolarHBondContact O-N 3.37Å; T93-V95 VanDerWaalsContact O-N 3.16Å; T93-V95 WeakPolarHBondContact OG1-CG2 3.35Å; T93-F126 HydrophobicContact CG2-CE2 4.22Å |
| 94 | T | 97 | Very high | 93.9 | Very high | 98 Ų | 98 | 61.7 Ų | 61.7 | 60% | 0.601 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | 17.7 | -177.8 | 67.8 | 0 | 0 | 0 | 0 | 115 | V90 V91 I92 I119 | V90-T94 PolarHBondContact O-N 3.25Å; V91-T94 PolarHBondContact O-N 3.33Å; V91-T94 VanDerWaalsContact O-N 3.13Å; I92-T94 VanDerWaalsContact C-N 3.25Å; I92-T94 PolarHBondContact O-N 3.37Å; T94-I119 HydrophobicContact CG2-CB 4.41Å; T94-I119 HydrophobicContact CG2-CD1 3.72Å; T94-I119 HydrophobicContact CG2-CG1 3.72Å; T94-I119 HydrophobicContact CG2-CG2 3.81Å |
| 95 | V | 96.3 | Very high | 94 | Very high | 74 Ų | 74 | 68.9 Ų | 68.9 | 45% | 0.448 | 39% | 0.393 | S | S | . | . | trans | -71.8 | -49.7 | 178.6 | 175 | 0 | 0 | 0 | 0 | 111.1 | V90 T93 Y97 | V90-V95 HydrophobicContact CB-CB 4.34Å; V90-V95 PolarHBondContact O-N 2.92Å; T93-V95 PolarHBondContact O-N 3.37Å; T93-V95 VanDerWaalsContact O-N 3.16Å; T93-V95 WeakPolarHBondContact OG1-CG2 3.35Å; V95-Y97 HydrophobicContact CG1-CD1 4.12Å; V95-Y97 HydrophobicContact CG1-CD2 3.83Å; V95-Y97 HydrophobicContact CG1-CE1 3.77Å; V95-Y97 HydrophobicContact CG1-CE2 3.44Å; V95-Y97 VanDerWaalsContact CG1-CE2 3.44Å; V95-Y97 HydrophobicContact CG1-CG 4.15Å; V95-Y97 VanDerWaalsContact CG1-CZ 3.42Å; V95-Y97 PolarHBondContact O-N 2.86Å | ||
| 96 | G | 93.5 | Very high | 94.1 | Very high | 53 Ų | 53 | 69.4 Ų | 69.4 | 55% | 0.546 | 40% | 0.401 | S | S | . | . | trans | 55.8 | 50.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | V90 G98 | V90-G96 PolarHBondContact O-N 3Å; G96-G98 PolarHBondContact O-N 3.38Å | ||
| 97 | Y | 92.1 | Very high | 94.2 | Very high | 153 Ų | 153 | 65.8 Ų | 65.8 | 60% | 0.6 | 39% | 0.393 | S | S | * | . | trans | -54.5 | -26.3 | -178 | -65.9 | -68.8 | 0 | 0 | 0 | 116.2 | Y86 V90 V95 H99 | Y86-Y97 HydrophobicContact CE1-CD2 4.37Å; Y86-Y97 AromaticContact CZ-CD2 3.99Å; Y86-Y97 WeakPolarHBondContact OH-CD2 3.4Å; Y86-Y97 WeakPolarHBondContact OH-CE2 3.32Å; V90-Y97 HydrophobicContact CG1-CD2 3.87Å; V90-Y97 HydrophobicContact CG1-CE2 3.95Å; V95-Y97 HydrophobicContact CG1-CD1 4.12Å; V95-Y97 HydrophobicContact CG1-CD2 3.83Å; V95-Y97 HydrophobicContact CG1-CE1 3.77Å; V95-Y97 HydrophobicContact CG1-CE2 3.44Å; V95-Y97 VanDerWaalsContact CG1-CE2 3.44Å; V95-Y97 HydrophobicContact CG1-CG 4.15Å; V95-Y97 VanDerWaalsContact CG1-CZ 3.42Å; V95-Y97 PolarHBondContact O-N 2.86Å; Y97-H99 PolarHBondContact O-N 2.91Å | ||
| 98 | G | 89.9 | Confident | 94.3 | Very high | 51 Ų | 51 | 69.8 Ų | 69.8 | 53% | 0.526 | 41% | 0.41 | S | S | . | . | trans | 81.8 | -1.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | G96 S100 | G96-G98 PolarHBondContact O-N 3.38Å; G98-S100 VanDerWaalsContact C-N 3.25Å; G98-S100 PolarHBondContact O-N 3.44Å | ||
| 99 | H | 85.1 | Confident | 94.4 | Very high | 82 Ų | 82 | 72 Ų | 72 | 38% | 0.38 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -67.1 | -25.8 | 174.9 | 64.8 | 88.1 | 0 | 0 | 0 | 113.3 | Q78 Y86 Y97 | Q78-H99 PolarHBondContact OE1-ND1 3.16Å; Y86-H99 AromaticContact CE1-CE1 3.54Å; Y86-H99 AromaticContact CE1-NE2 3.14Å; Y86-H99 WeakPolarHBondContact CE1-NE2 3.27Å; Y86-H99 AromaticContact CZ-NE2 3.83Å; Y97-H99 PolarHBondContact O-N 2.91Å |
| 100 | S | 85.7 | Confident | 94.4 | Very high | 14 Ų | 14 | 76 Ų | 76 | 10% | 0.098 | 43% | 0.434 | C | S | . | . | S | Bend | trans | -127.8 | 123.6 | 172.8 | -77.7 | 0 | 0 | 0 | 0 | 109.8 | Q78 F87 G98 | Q78-S100 WeakPolarHBondContact CB-OG 3.49Å; Q78-S100 WeakPolarHBondContact CG-OG 3.37Å; Q78-S100 PolarHBondContact OE1-OG 3.03Å; F87-S100 WeakPolarHBondContact CD2-O 3.48Å; F87-S100 WeakPolarHBondContact CE2-O 3.47Å; G98-S100 VanDerWaalsContact C-N 3.25Å; G98-S100 PolarHBondContact O-N 3.44Å |
| 101 | T | 91.3 | Very high | 94.5 | Very high | 90 Ų | 90 | 76.5 Ų | 76.5 | 55% | 0.552 | 44% | 0.438 | S | S | * | . | trans | -134.7 | 147.9 | 179 | 57.3 | 0 | 0 | 0 | 0 | 110.7 | A103 | T101-A103 PolarHBondContact O-N 2.9Å; T101-A103 VanDerWaalsContact O-N 3.13Å | ||
| 102 | P | 92.9 | Very high | 94.5 | Very high | 21 Ų | 21 | 81.8 Ų | 81.8 | 14% | 0.136 | 46% | 0.463 | C | S | . | . | trans | -63.8 | 116.7 | 179 | -17.5 | 29.7 | 0 | 0 | 0 | 110.5 | F87 G107 K108 C111 | F87-P102 HydrophobicContact CE1-CG 4.14Å; F87-P102 HydrophobicContact CE2-CG 4.37Å; F87-P102 HydrophobicContact CZ-CG 3.59Å; P102-G107 VanDerWaalsContact CB-C 3.47Å; P102-K108 HydrophobicContact CB-CG 4.04Å; P102-K108 WeakPolarHBondContact O-CE 3.47Å; P102-K108 WeakPolarHBondContact O-CG 3.31Å; P102-C111 HydrophobicContact CG-CB 4.07Å | ||
| 103 | A | 91.1 | Very high | 94.5 | Very high | 94 Ų | 94 | 86.5 Ų | 86.5 | 78% | 0.777 | 48% | 0.483 | S | S | * | . | trans | -80.9 | -28.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | T101 | T101-A103 PolarHBondContact O-N 2.9Å; T101-A103 VanDerWaalsContact O-N 3.13Å | ||
| 104 | T | 95.6 | Very high | 94.6 | Very high | 89 Ų | 89 | 88.3 Ų | 88.3 | 55% | 0.546 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -83.9 | 147.8 | -176.2 | 63.3 | 0 | 0 | 0 | 0 | 111.6 | L106 G107 K108 | T104-L106 VanDerWaalsContact C-N 3.29Å; T104-L106 PolarHBondContact O-N 3.13Å; T104-G107 PolarHBondContact O-N 3.25Å; T104-G107 PolarHBondContact OG1-N 2.99Å; T104-K108 WeakPolarHBondContact O-CG 3.14Å; T104-K108 PolarHBondContact O-N 2.95Å |
| 105 | K | 97.1 | Very high | 94.6 | Very high | 186 Ų | 186 | 84.7 Ų | 84.7 | 81% | 0.809 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -54.9 | -47.7 | 174.7 | -67.9 | -177.1 | -179.5 | 179.8 | 0 | 110.8 | G107 K108 T109 | K105-G107 PolarHBondContact O-N 3.01Å; K105-K108 PolarHBondContact O-N 3.44Å; K105-T109 PolarHBondContact O-N 3.22Å; K105-T109 PolarHBondContact O-OG1 3.37Å; K105-T109 VanDerWaalsContact O-OG1 3.13Å |
| 106 | L | 97.6 | Very high | 94.7 | Very high | 143 Ų | 143 | 87 Ų | 87 | 75% | 0.749 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -60.3 | -43.9 | 177.8 | -173.9 | 66.4 | 0 | 0 | 0 | 112.3 | T104 K108 T109 F110 | T104-L106 VanDerWaalsContact C-N 3.29Å; T104-L106 PolarHBondContact O-N 3.13Å; L106-K108 VanDerWaalsContact C-N 3.34Å; L106-K108 PolarHBondContact O-N 3.03Å; L106-T109 PolarHBondContact O-N 3.44Å; L106-F110 WeakPolarHBondContact O-CB 3.41Å; L106-F110 PolarHBondContact O-N 3.46Å |
| 107 | G | 97.1 | Very high | 94.9 | Very high | 20 Ų | 20 | 88.9 Ų | 88.9 | 21% | 0.206 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -63.7 | -37.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | P102 T104 K105 C111 | P102-G107 VanDerWaalsContact CB-C 3.47Å; T104-G107 PolarHBondContact O-N 3.25Å; T104-G107 PolarHBondContact OG1-N 2.99Å; K105-G107 PolarHBondContact O-N 3.01Å; G107-C111 VanDerWaalsContact O-CB 3.26Å; G107-C111 WeakPolarHBondContact O-CB 3.43Å; G107-C111 PolarHBondContact O-N 2.93Å |
| 108 | K | 97.4 | Very high | 95.1 | Very high | 114 Ų | 114 | 82 Ų | 82 | 50% | 0.496 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65.9 | -47.3 | 174.3 | -68.6 | -179.5 | -178.1 | -176 | 0 | 111.6 | P102 T104 K105 L106 C111 M112 | P102-K108 HydrophobicContact CB-CG 4.04Å; P102-K108 WeakPolarHBondContact O-CE 3.47Å; P102-K108 WeakPolarHBondContact O-CG 3.31Å; T104-K108 WeakPolarHBondContact O-CG 3.14Å; T104-K108 PolarHBondContact O-N 2.95Å; K105-K108 PolarHBondContact O-N 3.44Å; L106-K108 VanDerWaalsContact C-N 3.34Å; L106-K108 PolarHBondContact O-N 3.03Å; K108-C111 WeakPolarHBondContact O-CB 3.41Å; K108-C111 PolarHBondContact O-N 3.46Å; K108-M112 WeakPolarHBondContact O-CG 3.45Å; K108-M112 PolarHBondContact O-N 3.25Å |
| 109 | T | 98.1 | Very high | 95.5 | Very high | 70 Ų | 70 | 82 Ų | 82 | 43% | 0.429 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60.9 | -45.8 | 177.4 | -57.2 | 0 | 0 | 0 | 0 | 111.3 | K105 L106 C111 M112 F113 | K105-T109 PolarHBondContact O-N 3.22Å; K105-T109 PolarHBondContact O-OG1 3.37Å; K105-T109 VanDerWaalsContact O-OG1 3.13Å; L106-T109 PolarHBondContact O-N 3.44Å; T109-C111 VanDerWaalsContact C-N 3.33Å; T109-C111 PolarHBondContact O-N 3.31Å; T109-M112 WeakPolarHBondContact O-CB 3.4Å; T109-M112 PolarHBondContact O-N 2.98Å; T109-F113 HydrophobicContact CG2-CD2 4.01Å; T109-F113 HydrophobicContact CG2-CE2 3.66Å; T109-F113 VanDerWaalsContact O-CD2 3.24Å; T109-F113 WeakPolarHBondContact O-CD2 3.42Å; T109-F113 PolarHBondContact O-N 3.47Å |
| 110 | F | 97.9 | Very high | 96.1 | Very high | 136 Ų | 136 | 81.3 Ų | 81.3 | 60% | 0.596 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -58.7 | -45.2 | 174.3 | 177.9 | -97.5 | 0 | 0 | 0 | 111.6 | L106 M112 F113 Y114 | L106-F110 WeakPolarHBondContact O-CB 3.41Å; L106-F110 PolarHBondContact O-N 3.46Å; F110-M112 VanDerWaalsContact C-N 3.27Å; F110-M112 PolarHBondContact O-N 2.89Å; F110-F113 PolarHBondContact O-N 3.35Å; F110-Y114 HydrophobicContact CE1-CD2 4.39Å; F110-Y114 HydrophobicContact CE1-CG 4.26Å; F110-Y114 HydrophobicContact CZ-CD2 4.32Å; F110-Y114 WeakPolarHBondContact O-CB 3.27Å; F110-Y114 PolarHBondContact O-N 3.26Å |
| 111 | C | 97.6 | Very high | 96.7 | Very high | 25 Ų | 25 | 86.8 Ų | 86.8 | 17% | 0.169 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -58.6 | -36.9 | 177.9 | -172.8 | 0 | 0 | 0 | 0 | 112.6 | P102 G107 K108 T109 A115 | P102-C111 HydrophobicContact CG-CB 4.07Å; G107-C111 VanDerWaalsContact O-CB 3.26Å; G107-C111 WeakPolarHBondContact O-CB 3.43Å; G107-C111 PolarHBondContact O-N 2.93Å; K108-C111 WeakPolarHBondContact O-CB 3.41Å; K108-C111 PolarHBondContact O-N 3.46Å; T109-C111 VanDerWaalsContact C-N 3.33Å; T109-C111 PolarHBondContact O-N 3.31Å; C111-A115 VanDerWaalsContact O-CB 3.26Å; C111-A115 WeakPolarHBondContact O-CB 3.26Å; C111-A115 PolarHBondContact O-N 2.92Å |
| 112 | M | 97.4 | Very high | 97 | Very high | 133 Ų | 133 | 83.1 Ų | 83.1 | 66% | 0.655 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -64 | -50 | 176.8 | -67.2 | 170.1 | -178.8 | 0 | 0 | 111.5 | K108 T109 F110 A115 L116 | K108-M112 WeakPolarHBondContact O-CG 3.45Å; K108-M112 PolarHBondContact O-N 3.25Å; T109-M112 WeakPolarHBondContact O-CB 3.4Å; T109-M112 PolarHBondContact O-N 2.98Å; F110-M112 VanDerWaalsContact C-N 3.27Å; F110-M112 PolarHBondContact O-N 2.89Å; M112-A115 PolarHBondContact O-N 3.33Å; M112-L116 WeakPolarHBondContact O-CB 3.33Å; M112-L116 PolarHBondContact O-N 3.41Å |
| 113 | F | 98.1 | Very high | 97.2 | Very high | 135 Ų | 135 | 87.3 Ų | 87.3 | 59% | 0.592 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -66.7 | -39 | 177.7 | -70.7 | -68.2 | 0 | 0 | 0 | 112.3 | T109 F110 L116 C117 | T109-F113 HydrophobicContact CG2-CD2 4.01Å; T109-F113 HydrophobicContact CG2-CE2 3.66Å; T109-F113 VanDerWaalsContact O-CD2 3.24Å; T109-F113 WeakPolarHBondContact O-CD2 3.42Å; T109-F113 PolarHBondContact O-N 3.47Å; F110-F113 PolarHBondContact O-N 3.35Å; F113-L116 PolarHBondContact O-N 2.89Å; F113-C117 PolarHBondContact O-N 3.2Å |
| 114 | Y | 98 | Very high | 97.5 | Very high | 74 Ų | 74 | 87 Ų | 87 | 29% | 0.29 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.2 | -43.9 | 176.1 | 178.9 | -104.8 | 0 | 0 | 0 | 111.8 | A88 V91 I92 F110 G118 | A88-Y114 HydrophobicContact CB-CE1 4.19Å; A88-Y114 PolarHBondContact O-OH 3.15Å; V91-Y114 HydrophobicContact CB-CD1 4.38Å; V91-Y114 HydrophobicContact CB-CE1 4.2Å; V91-Y114 HydrophobicContact CG1-CD1 3.8Å; V91-Y114 HydrophobicContact CG1-CE1 4.04Å; I92-Y114 HydrophobicContact CG2-CD1 4.3Å; I92-Y114 HydrophobicContact CG2-CE1 3.42Å; I92-Y114 VanDerWaalsContact CG2-CE1 3.42Å; I92-Y114 HydrophobicContact CG2-CE2 4.42Å; I92-Y114 VanDerWaalsContact CG2-CZ 3.48Å; I92-Y114 VanDerWaalsContact CG2-OH 3.3Å; I92-Y114 WeakPolarHBondContact CG2-OH 3.49Å; F110-Y114 HydrophobicContact CE1-CD2 4.39Å; F110-Y114 HydrophobicContact CE1-CG 4.26Å; F110-Y114 HydrophobicContact CZ-CD2 4.32Å; F110-Y114 WeakPolarHBondContact O-CB 3.27Å; F110-Y114 PolarHBondContact O-N 3.26Å; Y114-G118 WeakPolarHBondContact O-CA 3.34Å; Y114-G118 PolarHBondContact O-N 3.01Å |
| 115 | A | 97.7 | Very high | 97.6 | Very high | 22 Ų | 22 | 87 Ų | 87 | 18% | 0.182 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -65.8 | -40.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V91 C111 M112 C117 G118 I119 | V91-A115 HydrophobicContact CG1-CB 3.91Å; C111-A115 VanDerWaalsContact O-CB 3.26Å; C111-A115 WeakPolarHBondContact O-CB 3.26Å; C111-A115 PolarHBondContact O-N 2.92Å; M112-A115 PolarHBondContact O-N 3.33Å; A115-C117 VanDerWaalsContact C-N 3.33Å; A115-C117 PolarHBondContact O-N 3.48Å; A115-G118 PolarHBondContact O-N 3.36Å; A115-I119 HydrophobicContact CB-CD1 4Å; A115-I119 WeakPolarHBondContact O-CB 3.4Å; A115-I119 VanDerWaalsContact O-CG1 3.27Å; A115-I119 WeakPolarHBondContact O-CG1 3.16Å; A115-I119 PolarHBondContact O-N 3.15Å |
| 116 | L | 97.7 | Very high | 97.6 | Very high | 121 Ų | 121 | 83.5 Ų | 83.5 | 63% | 0.634 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -56.7 | -44.4 | -179.3 | -177.3 | 67 | 0 | 0 | 0 | 112.4 | M112 F113 P120 | M112-L116 WeakPolarHBondContact O-CB 3.33Å; M112-L116 PolarHBondContact O-N 3.41Å; F113-L116 PolarHBondContact O-N 2.89Å; L116-P120 WeakPolarHBondContact O-CD 3.35Å; L116-P120 WeakPolarHBondContact O-CG 3.38Å |
| 117 | C | 97 | Very high | 97.5 | Very high | 94 Ų | 94 | 82.5 Ų | 82.5 | 64% | 0.635 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -88.2 | -36.2 | 178 | -61.2 | 0 | 0 | 0 | 0 | 112.7 | F113 A115 P120 L121 | F113-C117 PolarHBondContact O-N 3.2Å; A115-C117 VanDerWaalsContact C-N 3.33Å; A115-C117 PolarHBondContact O-N 3.48Å; C117-P120 WeakPolarHBondContact O-CD 3.43Å; C117-L121 WeakPolarHBondContact O-CB 3.38Å; C117-L121 PolarHBondContact O-N 3.26Å |
| 118 | G | 97.5 | Very high | 97.5 | Very high | 8 Ų | 8 | 84.6 Ų | 84.6 | 8% | 0.082 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -72 | -37.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y114 A115 L121 N122 | Y114-G118 WeakPolarHBondContact O-CA 3.34Å; Y114-G118 PolarHBondContact O-N 3.01Å; A115-G118 PolarHBondContact O-N 3.36Å; G118-L121 PolarHBondContact O-N 3.33Å; G118-N122 WeakPolarHBondContact O-CB 3Å; G118-N122 PolarHBondContact O-N 2.9Å |
| 119 | I | 98 | Very high | 97.5 | Very high | 51 Ų | 51 | 83.1 Ų | 83.1 | 26% | 0.262 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.6 | -51.5 | 180 | -64 | 166 | 0 | 0 | 0 | 111.2 | T94 A115 L121 N122 L123 | T94-I119 HydrophobicContact CG2-CB 4.41Å; T94-I119 HydrophobicContact CG2-CD1 3.72Å; T94-I119 HydrophobicContact CG2-CG1 3.72Å; T94-I119 HydrophobicContact CG2-CG2 3.81Å; A115-I119 HydrophobicContact CB-CD1 4Å; A115-I119 WeakPolarHBondContact O-CB 3.4Å; A115-I119 VanDerWaalsContact O-CG1 3.27Å; A115-I119 WeakPolarHBondContact O-CG1 3.16Å; A115-I119 PolarHBondContact O-N 3.15Å; I119-L121 VanDerWaalsContact C-N 3.34Å; I119-L121 PolarHBondContact O-N 3.24Å; I119-N122 PolarHBondContact O-N 3.37Å; I119-L123 HydrophobicContact CG2-CD1 3.99Å; I119-L123 HydrophobicContact CG2-CG 4.37Å; I119-L123 WeakPolarHBondContact O-CG 3Å; I119-L123 PolarHBondContact O-N 3.43Å |
| 120 | P | 97.9 | Very high | 97.3 | Very high | 68 Ų | 68 | 81 Ų | 81 | 44% | 0.442 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -59.1 | -42.9 | 175.7 | -24.7 | 34.5 | 0 | 0 | 0 | 113.2 | L116 C117 N122 L123 V124 | L116-P120 WeakPolarHBondContact O-CD 3.35Å; L116-P120 WeakPolarHBondContact O-CG 3.38Å; C117-P120 WeakPolarHBondContact O-CD 3.43Å; P120-N122 VanDerWaalsContact C-N 3.34Å; P120-N122 PolarHBondContact O-N 2.94Å; P120-L123 PolarHBondContact O-N 2.71Å; P120-V124 WeakPolarHBondContact O-CG2 3.37Å; P120-V124 PolarHBondContact O-N 2.91Å |
| 121 | L | 97.5 | Very high | 97.1 | Very high | 128 Ų | 128 | 79.6 Ų | 79.6 | 67% | 0.67 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -59.7 | -46.7 | 177.9 | -179.5 | 67.4 | 0 | 0 | 0 | 111.2 | C117 G118 I119 V124 M125 | C117-L121 WeakPolarHBondContact O-CB 3.38Å; C117-L121 PolarHBondContact O-N 3.26Å; G118-L121 PolarHBondContact O-N 3.33Å; I119-L121 VanDerWaalsContact C-N 3.34Å; I119-L121 PolarHBondContact O-N 3.24Å; L121-V124 PolarHBondContact O-N 2.92Å; L121-M125 WeakPolarHBondContact O-CB 3.02Å; L121-M125 PolarHBondContact O-N 3.42Å |
| 122 | N | 97.4 | Very high | 97 | Very high | 13 Ų | 13 | 87.8 Ų | 87.8 | 7% | 0.07 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -66 | -39.2 | 179.1 | -179.6 | 69.8 | 0 | 0 | 0 | 112 | I92 G118 I119 P120 M125 F126 | I92-N122 HydrophobicContact CB-CB 4.16Å; I92-N122 HydrophobicContact CG1-CB 4.46Å; I92-N122 PolarHBondContact O-ND2 3.27Å; G118-N122 WeakPolarHBondContact O-CB 3Å; G118-N122 PolarHBondContact O-N 2.9Å; I119-N122 PolarHBondContact O-N 3.37Å; P120-N122 VanDerWaalsContact C-N 3.34Å; P120-N122 PolarHBondContact O-N 2.94Å; N122-M125 PolarHBondContact O-N 3.4Å; N122-M125 VanDerWaalsContact OD1-CE 3.28Å; N122-M125 WeakPolarHBondContact OD1-CE 3.02Å; N122-F126 WeakPolarHBondContact ND2-CD2 3.36Å; N122-F126 VanDerWaalsContact ND2-CE2 3.33Å; N122-F126 WeakPolarHBondContact ND2-CE2 3.35Å; N122-F126 WeakPolarHBondContact O-CB 3.26Å; N122-F126 VanDerWaalsContact O-CD2 3.29Å; N122-F126 WeakPolarHBondContact O-CD2 3.32Å; N122-F126 PolarHBondContact O-N 3.2Å; N122-F126 WeakPolarHBondContact OD1-CD2 3.33Å; N122-F126 WeakPolarHBondContact OD1-CE2 3.47Å |
| 123 | L | 97.1 | Very high | 96.8 | Very high | 110 Ų | 110 | 86 Ų | 86 | 58% | 0.576 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -61.2 | -46.4 | 175 | -74.1 | 171.6 | 0 | 0 | 0 | 112.1 | I119 P120 F126 Q127 | I119-L123 HydrophobicContact CG2-CD1 3.99Å; I119-L123 HydrophobicContact CG2-CG 4.37Å; I119-L123 WeakPolarHBondContact O-CG 3Å; I119-L123 PolarHBondContact O-N 3.43Å; P120-L123 PolarHBondContact O-N 2.71Å; L123-F126 PolarHBondContact O-N 3.36Å; L123-Q127 PolarHBondContact O-N 2.93Å |
| 124 | V | 98.1 | Very high | 96.5 | Very high | 86 Ų | 86 | 83 Ų | 83 | 52% | 0.521 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.6 | -44.4 | 176.7 | 174.3 | 0 | 0 | 0 | 0 | 110.7 | P120 L121 F126 Q127 C128 | P120-V124 WeakPolarHBondContact O-CG2 3.37Å; P120-V124 PolarHBondContact O-N 2.91Å; L121-V124 PolarHBondContact O-N 2.92Å; V124-F126 PolarHBondContact O-N 2.91Å; V124-Q127 PolarHBondContact O-N 3.29Å; V124-C128 PolarHBondContact O-N 3.49Å; V124-C128 PolarHBondContact O-SG 2.95Å; V124-C128 VanDerWaalsContact O-SG 3.34Å |
| 125 | M | 97.6 | Very high | 96.2 | Very high | 91 Ų | 91 | 82.3 Ų | 82.3 | 45% | 0.448 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -56.9 | -49 | 175.6 | -178.8 | -167.2 | 71.9 | 0 | 0 | 111.5 | L121 N122 Q127 C128 I129 | L121-M125 WeakPolarHBondContact O-CB 3.02Å; L121-M125 PolarHBondContact O-N 3.42Å; N122-M125 PolarHBondContact O-N 3.4Å; N122-M125 VanDerWaalsContact OD1-CE 3.28Å; N122-M125 WeakPolarHBondContact OD1-CE 3.02Å; M125-Q127 VanDerWaalsContact C-N 3.32Å; M125-Q127 PolarHBondContact O-N 2.68Å; M125-C128 PolarHBondContact O-N 3.37Å; M125-I129 HydrophobicContact CG-CD1 3.8Å; M125-I129 WeakPolarHBondContact O-CB 3.41Å; M125-I129 VanDerWaalsContact O-CG1 3.31Å; M125-I129 WeakPolarHBondContact O-CG1 3.37Å; M125-I129 PolarHBondContact O-N 3.43Å; M125-I129 HydrophobicContact SD-CD1 4.42Å |
| 126 | F | 96.1 | Very high | 96 | Very high | 112 Ų | 112 | 87.3 Ų | 87.3 | 49% | 0.491 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.9 | -38.5 | 177.8 | -90.3 | -63.3 | 0 | 0 | 0 | 112.5 | T93 N122 L123 V124 G130 | T93-F126 HydrophobicContact CG2-CE2 4.22Å; N122-F126 WeakPolarHBondContact ND2-CD2 3.36Å; N122-F126 VanDerWaalsContact ND2-CE2 3.33Å; N122-F126 WeakPolarHBondContact ND2-CE2 3.35Å; N122-F126 WeakPolarHBondContact O-CB 3.26Å; N122-F126 VanDerWaalsContact O-CD2 3.29Å; N122-F126 WeakPolarHBondContact O-CD2 3.32Å; N122-F126 PolarHBondContact O-N 3.2Å; N122-F126 WeakPolarHBondContact OD1-CD2 3.33Å; N122-F126 WeakPolarHBondContact OD1-CE2 3.47Å; L123-F126 PolarHBondContact O-N 3.36Å; V124-F126 PolarHBondContact O-N 2.91Å; F126-G130 PolarHBondContact O-N 3.43Å |
| 127 | Q | 96.6 | Very high | 95.7 | Very high | 122 Ų | 122 | 82.5 Ų | 82.5 | 57% | 0.57 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -63.7 | -48.6 | 175.4 | -171.1 | -173.4 | -33.2 | 0 | 0 | 111.3 | L123 V124 M125 I129 G130 E131 | L123-Q127 PolarHBondContact O-N 2.93Å; V124-Q127 PolarHBondContact O-N 3.29Å; M125-Q127 VanDerWaalsContact C-N 3.32Å; M125-Q127 PolarHBondContact O-N 2.68Å; Q127-I129 PolarHBondContact O-N 2.97Å; Q127-G130 PolarHBondContact O-N 3.34Å; Q127-G130 VanDerWaalsContact O-N 3.17Å; Q127-E131 PolarHBondContact NE2-OE1 3.06Å; Q127-E131 WeakPolarHBondContact O-CG 3.49Å; Q127-E131 PolarHBondContact O-N 2.95Å |
| 128 | C | 97.2 | Very high | 95.3 | Very high | 64 Ų | 64 | 79.2 Ų | 79.2 | 43% | 0.432 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61 | -43.5 | 178.6 | -67.4 | 0 | 0 | 0 | 0 | 112 | V124 M125 E131 R132 | V124-C128 PolarHBondContact O-N 3.49Å; V124-C128 PolarHBondContact O-SG 2.95Å; V124-C128 VanDerWaalsContact O-SG 3.34Å; M125-C128 PolarHBondContact O-N 3.37Å; C128-E131 PolarHBondContact O-N 3.39Å; C128-R132 VanDerWaalsContact O-CG 3.27Å; C128-R132 WeakPolarHBondContact O-CG 3.36Å; C128-R132 PolarHBondContact O-N 3.3Å; C128-R132 VanDerWaalsContact O-N 3.13Å |
| 129 | I | 96.6 | Very high | 95 | Very high | 82 Ų | 82 | 86.5 Ų | 86.5 | 42% | 0.421 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63 | -44.2 | 175.3 | -68.2 | 170.7 | 0 | 0 | 0 | 110.1 | M125 Q127 E131 R132 L133 | M125-I129 HydrophobicContact CG-CD1 3.8Å; M125-I129 WeakPolarHBondContact O-CB 3.41Å; M125-I129 VanDerWaalsContact O-CG1 3.31Å; M125-I129 WeakPolarHBondContact O-CG1 3.37Å; M125-I129 PolarHBondContact O-N 3.43Å; M125-I129 HydrophobicContact SD-CD1 4.42Å; Q127-I129 PolarHBondContact O-N 2.97Å; I129-E131 PolarHBondContact O-N 2.95Å; I129-R132 PolarHBondContact O-N 3.43Å; I129-L133 HydrophobicContact CG2-CD1 3.77Å; I129-L133 HydrophobicContact CG2-CG 4.18Å; I129-L133 WeakPolarHBondContact O-CB 3.39Å; I129-L133 WeakPolarHBondContact O-CG 3.34Å; I129-L133 PolarHBondContact O-N 3.43Å |
| 130 | G | 93.9 | Very high | 94.6 | Very high | 26 Ų | 26 | 86.8 Ų | 86.8 | 27% | 0.268 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.1 | -42.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | F126 Q127 L133 N134 | F126-G130 PolarHBondContact O-N 3.43Å; Q127-G130 PolarHBondContact O-N 3.34Å; Q127-G130 VanDerWaalsContact O-N 3.17Å; G130-L133 PolarHBondContact O-N 3.43Å; G130-N134 WeakPolarHBondContact O-CB 3.35Å; G130-N134 PolarHBondContact O-N 2.91Å; G130-N134 PolarHBondContact O-ND2 2.92Å |
| 131 | E | 94.7 | Very high | 94.2 | Very high | 107 Ų | 107 | 85.1 Ų | 85.1 | 50% | 0.5 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.8 | -43.5 | 175.2 | -72.8 | 171.6 | -167.9 | 0 | 0 | 111.8 | Q127 C128 I129 N134 A135 | Q127-E131 PolarHBondContact NE2-OE1 3.06Å; Q127-E131 WeakPolarHBondContact O-CG 3.49Å; Q127-E131 PolarHBondContact O-N 2.95Å; C128-E131 PolarHBondContact O-N 3.39Å; I129-E131 PolarHBondContact O-N 2.95Å; E131-N134 PolarHBondContact O-N 3.31Å; E131-A135 PolarHBondContact O-N 3.24Å |
| 132 | R | 94.8 | Very high | 93.7 | Very high | 197 Ų | 197 | 84.8 Ų | 84.8 | 74% | 0.743 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -67.4 | -40.6 | 177.8 | -66.2 | -71.1 | 153.8 | 163.6 | -2.7 | 112.2 | C128 I129 A135 F136 | C128-R132 VanDerWaalsContact O-CG 3.27Å; C128-R132 WeakPolarHBondContact O-CG 3.36Å; C128-R132 PolarHBondContact O-N 3.3Å; C128-R132 VanDerWaalsContact O-N 3.13Å; I129-R132 PolarHBondContact O-N 3.43Å; R132-A135 PolarHBondContact O-N 3.47Å; R132-F136 WeakPolarHBondContact O-CB 3.42Å; R132-F136 PolarHBondContact O-N 3.17Å |
| 133 | L | 93.7 | Very high | 93.2 | Very high | 95 Ų | 95 | 85.9 Ų | 85.9 | 50% | 0.497 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.3 | -43.6 | 173.8 | -76.2 | 173.1 | 0 | 0 | 0 | 111.4 | I129 G130 A135 F136 I137 | I129-L133 HydrophobicContact CG2-CD1 3.77Å; I129-L133 HydrophobicContact CG2-CG 4.18Å; I129-L133 WeakPolarHBondContact O-CB 3.39Å; I129-L133 WeakPolarHBondContact O-CG 3.34Å; I129-L133 PolarHBondContact O-N 3.43Å; G130-L133 PolarHBondContact O-N 3.43Å; L133-A135 PolarHBondContact O-N 2.95Å; L133-F136 WeakPolarHBondContact O-CB 3.3Å; L133-F136 PolarHBondContact O-N 2.87Å; L133-I137 VanDerWaalsContact O-CG1 3.28Å; L133-I137 WeakPolarHBondContact O-CG1 3.23Å; L133-I137 PolarHBondContact O-N 2.9Å |
| 134 | N | 91.9 | Very high | 92.8 | Very high | 73 Ų | 73 | 84.1 Ų | 84.1 | 39% | 0.39 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.3 | -40.6 | 176.8 | -78.9 | -24 | 0 | 0 | 0 | 112.4 | G130 E131 I137 A138 M160 | G130-N134 WeakPolarHBondContact O-CB 3.35Å; G130-N134 PolarHBondContact O-N 2.91Å; G130-N134 PolarHBondContact O-ND2 2.92Å; E131-N134 PolarHBondContact O-N 3.31Å; N134-I137 PolarHBondContact O-N 2.77Å; N134-A138 WeakPolarHBondContact O-CB 3.36Å; N134-A138 PolarHBondContact O-N 2.89Å; N134-M160 HydrophobicContact CB-CE 4.18Å |
| 135 | A | 91.5 | Very high | 92.2 | Very high | 58 Ų | 58 | 82.1 Ų | 82.1 | 48% | 0.479 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.1 | -41.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | E131 R132 L133 A138 Y139 | E131-A135 PolarHBondContact O-N 3.24Å; R132-A135 PolarHBondContact O-N 3.47Å; L133-A135 PolarHBondContact O-N 2.95Å; A135-A138 PolarHBondContact O-N 2.88Å; A135-Y139 PolarHBondContact O-N 2.94Å |
| 136 | F | 92.5 | Very high | 91.6 | Very high | 127 Ų | 127 | 80.8 Ų | 80.8 | 56% | 0.557 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -62.4 | -45.2 | 175.2 | -179.4 | -104 | 0 | 0 | 0 | 111.9 | R132 L133 A138 Y139 V140 | R132-F136 WeakPolarHBondContact O-CB 3.42Å; R132-F136 PolarHBondContact O-N 3.17Å; L133-F136 WeakPolarHBondContact O-CB 3.3Å; L133-F136 PolarHBondContact O-N 2.87Å; F136-A138 VanDerWaalsContact C-N 3.32Å; F136-A138 PolarHBondContact O-N 3.42Å; F136-Y139 WeakPolarHBondContact O-CB 3.39Å; F136-Y139 PolarHBondContact O-N 3.36Å; F136-V140 HydrophobicContact CD1-CG2 4.16Å; F136-V140 HydrophobicContact CD2-CG2 4.42Å; F136-V140 HydrophobicContact CE1-CG2 3.72Å; F136-V140 HydrophobicContact CE2-CG2 4Å; F136-V140 HydrophobicContact CG-CG2 4.49Å; F136-V140 HydrophobicContact CZ-CG2 3.63Å; F136-V140 WeakPolarHBondContact O-CG2 3.4Å; F136-V140 PolarHBondContact O-N 3.3Å |
| 137 | I | 91.6 | Very high | 91.2 | Very high | 20 Ų | 20 | 80.2 Ų | 80.2 | 10% | 0.103 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -59.3 | -44.1 | 175.2 | -70.5 | 165.6 | 0 | 0 | 0 | 110.7 | L133 N134 Y139 V140 L141 V163 M167 | L133-I137 VanDerWaalsContact O-CG1 3.28Å; L133-I137 WeakPolarHBondContact O-CG1 3.23Å; L133-I137 PolarHBondContact O-N 2.9Å; N134-I137 PolarHBondContact O-N 2.77Å; I137-Y139 VanDerWaalsContact C-N 3.34Å; I137-Y139 PolarHBondContact O-N 2.92Å; I137-V140 PolarHBondContact O-N 2.97Å; I137-L141 HydrophobicContact CG2-CD1 3.75Å; I137-L141 HydrophobicContact CG2-CG 4.33Å; I137-L141 WeakPolarHBondContact O-CB 3.46Å; I137-L141 VanDerWaalsContact O-CG 3.3Å; I137-L141 WeakPolarHBondContact O-CG 3.33Å; I137-L141 PolarHBondContact O-N 3.26Å; I137-V163 HydrophobicContact CG2-CB 4.25Å; I137-V163 HydrophobicContact CG2-CG1 3.65Å; I137-M167 HydrophobicContact CD1-SD 3.85Å; I137-M167 HydrophobicContact CG1-SD 4.09Å |
| 138 | A | 89.8 | Confident | 90.7 | Very high | 26 Ų | 26 | 79.9 Ų | 79.9 | 22% | 0.215 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -62 | -42.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | N134 A135 F136 L141 Y142 M160 | N134-A138 WeakPolarHBondContact O-CB 3.36Å; N134-A138 PolarHBondContact O-N 2.89Å; A135-A138 PolarHBondContact O-N 2.88Å; F136-A138 VanDerWaalsContact C-N 3.32Å; F136-A138 PolarHBondContact O-N 3.42Å; A138-L141 PolarHBondContact O-N 3.47Å; A138-Y142 WeakPolarHBondContact O-CB 3.3Å; A138-Y142 PolarHBondContact O-N 2.86Å; A138-M160 HydrophobicContact CB-CE 4.23Å |
| 139 | Y | 90.8 | Very high | 90 | Very high | 160 Ų | 160 | 86 Ų | 86 | 63% | 0.627 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -62.3 | -48.9 | 175.3 | 175.8 | -97.5 | 0 | 0 | 0 | 112 | A135 F136 I137 L141 Y142 A143 | A135-Y139 PolarHBondContact O-N 2.94Å; F136-Y139 WeakPolarHBondContact O-CB 3.39Å; F136-Y139 PolarHBondContact O-N 3.36Å; I137-Y139 VanDerWaalsContact C-N 3.34Å; I137-Y139 PolarHBondContact O-N 2.92Å; Y139-L141 VanDerWaalsContact C-N 3.35Å; Y139-L141 PolarHBondContact O-N 2.89Å; Y139-Y142 WeakPolarHBondContact O-CB 3.33Å; Y139-Y142 PolarHBondContact O-N 3.25Å; Y139-A143 PolarHBondContact O-N 2.88Å |
| 140 | V | 90.1 | Very high | 88.9 | Confident | 58 Ų | 58 | 86.4 Ų | 86.4 | 35% | 0.352 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.1 | -44.5 | 177.7 | 172.6 | 0 | 0 | 0 | 0 | 110.7 | F136 I137 Y142 A143 V144 | F136-V140 HydrophobicContact CD1-CG2 4.16Å; F136-V140 HydrophobicContact CD2-CG2 4.42Å; F136-V140 HydrophobicContact CE1-CG2 3.72Å; F136-V140 HydrophobicContact CE2-CG2 4Å; F136-V140 HydrophobicContact CG-CG2 4.49Å; F136-V140 HydrophobicContact CZ-CG2 3.63Å; F136-V140 WeakPolarHBondContact O-CG2 3.4Å; F136-V140 PolarHBondContact O-N 3.3Å; I137-V140 PolarHBondContact O-N 2.97Å; V140-Y142 VanDerWaalsContact C-N 3.29Å; V140-Y142 PolarHBondContact O-N 3.09Å; V140-A143 PolarHBondContact O-N 3.19Å; V140-V144 HydrophobicContact CG1-CG2 4.22Å; V140-V144 WeakPolarHBondContact O-CB 3.05Å; V140-V144 VanDerWaalsContact O-CG2 3.29Å; V140-V144 WeakPolarHBondContact O-CG2 3.47Å; V140-V144 PolarHBondContact O-N 3.09Å |
| 141 | L | 88.6 | Confident | 87.4 | Confident | 33 Ų | 33 | 96.6 Ų | 96.6 | 17% | 0.173 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -60.9 | -39.3 | 176.5 | -78.2 | 168 | 0 | 0 | 0 | 112.3 | I137 A138 Y139 K145 V155 V163 | I137-L141 HydrophobicContact CG2-CD1 3.75Å; I137-L141 HydrophobicContact CG2-CG 4.33Å; I137-L141 WeakPolarHBondContact O-CB 3.46Å; I137-L141 VanDerWaalsContact O-CG 3.3Å; I137-L141 WeakPolarHBondContact O-CG 3.33Å; I137-L141 PolarHBondContact O-N 3.26Å; A138-L141 PolarHBondContact O-N 3.47Å; Y139-L141 VanDerWaalsContact C-N 3.35Å; Y139-L141 PolarHBondContact O-N 2.89Å; L141-K145 WeakPolarHBondContact O-CB 3.32Å; L141-K145 VanDerWaalsContact O-CG 3.31Å; L141-K145 WeakPolarHBondContact O-CG 3.43Å; L141-K145 PolarHBondContact O-N 2.89Å; L141-V155 HydrophobicContact CD1-CG1 4.45Å; L141-V163 HydrophobicContact CD1-CB 4.32Å; L141-V163 HydrophobicContact CD1-CG2 3.97Å; L141-V163 HydrophobicContact CD2-CG2 3.9Å; L141-V163 HydrophobicContact CG-CG2 4.44Å |
| 142 | Y | 86.6 | Confident | 85.9 | Confident | 120 Ų | 120 | 101.9 Ų | 101.9 | 47% | 0.471 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.6 | -45.7 | 175.2 | 177.4 | -95.7 | 0 | 0 | 0 | 111.7 | A138 Y139 V140 K145 T146 | A138-Y142 WeakPolarHBondContact O-CB 3.3Å; A138-Y142 PolarHBondContact O-N 2.86Å; Y139-Y142 WeakPolarHBondContact O-CB 3.33Å; Y139-Y142 PolarHBondContact O-N 3.25Å; V140-Y142 VanDerWaalsContact C-N 3.29Å; V140-Y142 PolarHBondContact O-N 3.09Å; Y142-K145 PolarHBondContact O-N 3.43Å; Y142-T146 WeakPolarHBondContact O-CB 3.46Å; Y142-T146 PolarHBondContact O-N 3.38Å; Y142-T146 PolarHBondContact O-OG1 3.32Å |
| 143 | A | 88.5 | Confident | 84.3 | Confident | 37 Ų | 37 | 99.1 Ų | 99.1 | 31% | 0.306 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.2 | -44.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y139 V140 T146 S147 | Y139-A143 PolarHBondContact O-N 2.88Å; V140-A143 PolarHBondContact O-N 3.19Å; A143-T146 PolarHBondContact O-N 3.33Å; A143-S147 WeakPolarHBondContact O-CB 3.37Å; A143-S147 PolarHBondContact O-N 2.97Å; A143-S147 PolarHBondContact O-OG 2.87Å |
| 144 | V | 88.2 | Confident | 83.2 | Confident | 72 Ų | 72 | 101.6 Ų | 101.6 | 44% | 0.436 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.1 | -47 | 176.9 | 171 | 0 | 0 | 0 | 0 | 111 | V140 T146 S147 L148 | V140-V144 HydrophobicContact CG1-CG2 4.22Å; V140-V144 WeakPolarHBondContact O-CB 3.05Å; V140-V144 VanDerWaalsContact O-CG2 3.29Å; V140-V144 WeakPolarHBondContact O-CG2 3.47Å; V140-V144 PolarHBondContact O-N 3.09Å; V144-T146 VanDerWaalsContact C-N 3.33Å; V144-T146 PolarHBondContact O-N 3.35Å; V144-S147 PolarHBondContact O-N 3.11Å; V144-L148 HydrophobicContact CG1-CD1 3.87Å; V144-L148 WeakPolarHBondContact O-CG 3.34Å; V144-L148 PolarHBondContact O-N 3.37Å |
| 145 | K | 85.5 | Confident | 82.4 | Confident | 45 Ų | 45 | 99.6 Ų | 99.6 | 20% | 0.196 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -63.2 | -38.9 | 178.8 | -78.1 | -176.2 | 176.8 | -171.5 | 0 | 112.8 | L141 Y142 L148 K149 L150 N159 | L141-K145 WeakPolarHBondContact O-CB 3.32Å; L141-K145 VanDerWaalsContact O-CG 3.31Å; L141-K145 WeakPolarHBondContact O-CG 3.43Å; L141-K145 PolarHBondContact O-N 2.89Å; Y142-K145 PolarHBondContact O-N 3.43Å; K145-L148 PolarHBondContact O-N 3.29Å; K145-K149 PolarHBondContact O-N 3Å; K145-L150 HydrophobicContact CG-CD1 4.26Å; K145-L150 PolarHBondContact O-N 3.33Å; K145-N159 PolarHBondContact NZ-ND2 3.3Å; K145-N159 VanDerWaalsContact NZ-ND2 3.2Å |
| 146 | T | 85.4 | Confident | 82.1 | Confident | 63 Ų | 63 | 100.2 Ų | 100.2 | 39% | 0.387 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.7 | -43.7 | 175.9 | -58.9 | 0 | 0 | 0 | 0 | 110.8 | Y142 A143 V144 L148 K149 | Y142-T146 WeakPolarHBondContact O-CB 3.46Å; Y142-T146 PolarHBondContact O-N 3.38Å; Y142-T146 PolarHBondContact O-OG1 3.32Å; A143-T146 PolarHBondContact O-N 3.33Å; V144-T146 VanDerWaalsContact C-N 3.33Å; V144-T146 PolarHBondContact O-N 3.35Å; T146-L148 VanDerWaalsContact C-N 3.3Å; T146-L148 PolarHBondContact O-N 2.75Å; T146-K149 PolarHBondContact O-N 3.06Å; T146-K149 VanDerWaalsContact O-N 3.12Å |
| 147 | S | 87.2 | Confident | 81.9 | Confident | 99 Ų | 99 | 101.4 Ų | 101.4 | 69% | 0.692 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.7 | -36.2 | 177.2 | -56.6 | 0 | 0 | 0 | 0 | 112.4 | A143 V144 K149 | A143-S147 WeakPolarHBondContact O-CB 3.37Å; A143-S147 PolarHBondContact O-N 2.97Å; A143-S147 PolarHBondContact O-OG 2.87Å; V144-S147 PolarHBondContact O-N 3.11Å; S147-K149 VanDerWaalsContact C-N 3.26Å; S147-K149 PolarHBondContact O-N 3.35Å |
| 148 | L | 86.6 | Confident | 81.6 | Confident | 115 Ų | 115 | 104.3 Ų | 104.3 | 60% | 0.602 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | 5.5 | 177.3 | -67.3 | 172.6 | 0 | 0 | 0 | 114.2 | V144 K145 T146 L150 | V144-L148 HydrophobicContact CG1-CD1 3.87Å; V144-L148 WeakPolarHBondContact O-CG 3.34Å; V144-L148 PolarHBondContact O-N 3.37Å; K145-L148 PolarHBondContact O-N 3.29Å; T146-L148 VanDerWaalsContact C-N 3.3Å; T146-L148 PolarHBondContact O-N 2.75Å; L148-L150 HydrophobicContact CB-CD1 3.94Å; L148-L150 HydrophobicContact CB-CG 3.95Å; L148-L150 HydrophobicContact CD1-CD1 4.18Å; L148-L150 PolarHBondContact O-N 2.99Å; L148-L150 VanDerWaalsContact O-N 3.1Å |
| 149 | K | 81.6 | Confident | 81.5 | Confident | 194 Ų | 194 | 105.7 Ų | 105.7 | 84% | 0.843 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 31.8 | -177.9 | -61 | -176.3 | -179.6 | 179 | 0 | 113.9 | K145 T146 S147 R151 | K145-K149 PolarHBondContact O-N 3Å; T146-K149 PolarHBondContact O-N 3.06Å; T146-K149 VanDerWaalsContact O-N 3.12Å; S147-K149 VanDerWaalsContact C-N 3.26Å; S147-K149 PolarHBondContact O-N 3.35Å; K149-R151 PolarHBondContact O-N 3.5Å |
| 150 | L | 74.2 | Confident | 81.3 | Confident | 90 Ų | 90 | 100.2 Ų | 100.2 | 47% | 0.471 | 49% | 0.493 | S | S | . | . | trans | -74.9 | 119 | -178.3 | -72 | 167.1 | 0 | 0 | 0 | 110.4 | K145 L148 R152 | K145-L150 HydrophobicContact CG-CD1 4.26Å; K145-L150 PolarHBondContact O-N 3.33Å; L148-L150 HydrophobicContact CB-CD1 3.94Å; L148-L150 HydrophobicContact CB-CG 3.95Å; L148-L150 HydrophobicContact CD1-CD1 4.18Å; L148-L150 PolarHBondContact O-N 2.99Å; L148-L150 VanDerWaalsContact O-N 3.1Å; L150-R152 PolarHBondContact O-N 2.65Å | ||
| 151 | R | 62.3 | Low | 81.4 | Confident | 240 Ų | 240 | 102.6 Ų | 102.6 | 91% | 0.906 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -63.6 | -7.4 | -171.3 | -152.8 | 175.5 | -177.6 | -178.7 | 0.8 | 115.6 | K149 | K149-R151 PolarHBondContact O-N 3.5Š|
| 152 | R | 61.7 | Low | 81.5 | Confident | 218 Ų | 218 | 106 Ų | 106 | 82% | 0.823 | 52% | 0.52 | S | S | * | . | trans | -104.2 | 98.6 | 177.5 | -77.6 | -169.2 | -170.6 | 177 | 4.5 | 111 | L150 H154 | L150-R152 PolarHBondContact O-N 2.65Å; R152-H154 VanDerWaalsContact C-N 3.33Å; R152-H154 PolarHBondContact O-N 3.49Å | ||
| 153 | F | 62 | Low | 81.7 | Confident | 138 Ų | 138 | 102 Ų | 102 | 61% | 0.605 | 51% | 0.509 | S | S | * | . | trans | -79.2 | 1.2 | -173.5 | -73.6 | -83.4 | 0 | 0 | 0 | 116.1 | ||||
| 154 | H | 70.7 | Confident | 81.8 | Confident | 147 Ų | 147 | 102.4 Ų | 102.4 | 68% | 0.681 | 51% | 0.509 | S | S | * | . | trans | -97.1 | 124.4 | -179.8 | -149.8 | -67 | 0 | 0 | 0 | 112.2 | R152 T156 | R152-H154 VanDerWaalsContact C-N 3.33Å; R152-H154 PolarHBondContact O-N 3.49Å; H154-T156 PolarHBondContact O-N 3.16Å | ||
| 155 | V | 75.6 | Confident | 82 | Confident | 31 Ų | 31 | 102.5 Ų | 102.5 | 19% | 0.188 | 51% | 0.51 | C | S | . | . | trans | -76.8 | 102.4 | 165.2 | -179.8 | 0 | 0 | 0 | 0 | 107.3 | L141 M160 | L141-V155 HydrophobicContact CD1-CG1 4.45Å; V155-M160 HydrophobicContact CG1-CG 3.75Å; V155-M160 HydrophobicContact CG1-SD 4.28Å | ||
| 156 | T | 84.6 | Confident | 82.4 | Confident | 71 Ų | 71 | 103.3 Ų | 103.3 | 44% | 0.436 | 52% | 0.519 | S | S | . | . | trans | -74.3 | 149.3 | 174.9 | -41 | 0 | 0 | 0 | 0 | 111.1 | H154 S158 N159 M160 | H154-T156 PolarHBondContact O-N 3.16Å; T156-S158 PolarHBondContact O-N 2.64Å; T156-N159 WeakPolarHBondContact O-CB 3.49Å; T156-N159 PolarHBondContact O-N 2.86Å; T156-M160 PolarHBondContact O-N 3.46Å | ||
| 157 | H | 87.6 | Confident | 82.7 | Confident | 152 Ų | 152 | 104.6 Ų | 104.6 | 70% | 0.704 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -51.6 | -38 | 173 | -76.9 | -78.8 | 0 | 0 | 0 | 113.2 | N159 M160 I161 | H157-N159 VanDerWaalsContact C-N 3.3Å; H157-N159 PolarHBondContact O-N 3.49Å; H157-M160 PolarHBondContact O-N 3.37Å; H157-M160 VanDerWaalsContact O-N 3.14Å; H157-I161 WeakPolarHBondContact O-CG1 3.27Å; H157-I161 PolarHBondContact O-N 2.91Å |
| 158 | S | 86.9 | Confident | 83 | Confident | 81 Ų | 81 | 101.2 Ų | 101.2 | 57% | 0.566 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.1 | -36.9 | 176.4 | -49.2 | 0 | 0 | 0 | 0 | 113 | T156 I161 L162 | T156-S158 PolarHBondContact O-N 2.64Å; S158-I161 PolarHBondContact O-N 2.95Å; S158-L162 WeakPolarHBondContact O-CB 3.46Å; S158-L162 PolarHBondContact O-N 3.34Å |
| 159 | N | 86.3 | Confident | 83.5 | Confident | 55 Ų | 55 | 101.1 Ų | 101.1 | 29% | 0.294 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.9 | -39 | 176.9 | -64 | -28.4 | 0 | 0 | 0 | 110.8 | K145 T156 H157 L162 V163 | K145-N159 PolarHBondContact NZ-ND2 3.3Å; K145-N159 VanDerWaalsContact NZ-ND2 3.2Å; T156-N159 WeakPolarHBondContact O-CB 3.49Å; T156-N159 PolarHBondContact O-N 2.86Å; H157-N159 VanDerWaalsContact C-N 3.3Å; H157-N159 PolarHBondContact O-N 3.49Å; N159-L162 PolarHBondContact O-N 2.9Å; N159-V163 WeakPolarHBondContact O-CB 3.33Å; N159-V163 VanDerWaalsContact O-CG2 3.23Å; N159-V163 WeakPolarHBondContact O-CG2 3.05Å; N159-V163 PolarHBondContact O-N 2.88Å |
| 160 | M | 87.7 | Confident | 84.2 | Confident | 45 Ų | 45 | 96.7 Ų | 96.7 | 22% | 0.222 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -66.3 | -43 | 177.1 | -65 | -177.1 | 67.6 | 0 | 0 | 111.7 | N134 A138 V155 T156 H157 V163 S164 | N134-M160 HydrophobicContact CB-CE 4.18Å; A138-M160 HydrophobicContact CB-CE 4.23Å; V155-M160 HydrophobicContact CG1-CG 3.75Å; V155-M160 HydrophobicContact CG1-SD 4.28Å; T156-M160 PolarHBondContact O-N 3.46Å; H157-M160 PolarHBondContact O-N 3.37Å; H157-M160 VanDerWaalsContact O-N 3.14Å; M160-V163 PolarHBondContact O-N 3.42Å; M160-S164 WeakPolarHBondContact O-CB 3.38Å; M160-S164 PolarHBondContact O-N 2.88Å; M160-S164 PolarHBondContact O-OG 2.92Å |
| 161 | I | 91.1 | Very high | 85.2 | Confident | 108 Ų | 108 | 98 Ų | 98 | 55% | 0.554 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.2 | -46.4 | 176.2 | -65.8 | 169.2 | 0 | 0 | 0 | 110 | H157 S158 V163 S164 T165 | H157-I161 WeakPolarHBondContact O-CG1 3.27Å; H157-I161 PolarHBondContact O-N 2.91Å; S158-I161 PolarHBondContact O-N 2.95Å; I161-V163 PolarHBondContact O-N 2.93Å; I161-S164 WeakPolarHBondContact CA-OG 3.44Å; I161-S164 PolarHBondContact O-N 3.37Å; I161-S164 PolarHBondContact O-OG 3.5Å; I161-T165 HydrophobicContact CG2-CG2 4.28Å; I161-T165 WeakPolarHBondContact O-CB 3.35Å; I161-T165 VanDerWaalsContact O-CG2 3.3Å; I161-T165 WeakPolarHBondContact O-CG2 3.39Å; I161-T165 PolarHBondContact O-N 3.43Å; I161-T165 PolarHBondContact O-OG1 3.2Å |
| 162 | L | 91.4 | Very high | 86.8 | Confident | 104 Ų | 104 | 92.2 Ų | 92.2 | 55% | 0.545 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.4 | -42.4 | 179 | -177.8 | 63.8 | 0 | 0 | 0 | 112.4 | S158 N159 T165 T166 | S158-L162 WeakPolarHBondContact O-CB 3.46Å; S158-L162 PolarHBondContact O-N 3.34Å; N159-L162 PolarHBondContact O-N 2.9Å; L162-T165 WeakPolarHBondContact CA-OG1 3.25Å; L162-T165 PolarHBondContact O-OG1 3.25Å; L162-T166 HydrophobicContact CD1-CG2 4.3Å; L162-T166 WeakPolarHBondContact O-CB 3.47Å; L162-T166 VanDerWaalsContact O-CG2 3.29Å; L162-T166 WeakPolarHBondContact O-CG2 3.37Å; L162-T166 PolarHBondContact O-N 3.39Å; L162-T166 PolarHBondContact O-OG1 3.33Å |
| 163 | V | 91.3 | Very high | 88.4 | Confident | 37 Ų | 37 | 87.3 Ų | 87.3 | 22% | 0.224 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -70.3 | -43 | -179.6 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | I137 L141 N159 M160 I161 T165 T166 M167 | I137-V163 HydrophobicContact CG2-CB 4.25Å; I137-V163 HydrophobicContact CG2-CG1 3.65Å; L141-V163 HydrophobicContact CD1-CB 4.32Å; L141-V163 HydrophobicContact CD1-CG2 3.97Å; L141-V163 HydrophobicContact CD2-CG2 3.9Å; L141-V163 HydrophobicContact CG-CG2 4.44Å; N159-V163 WeakPolarHBondContact O-CB 3.33Å; N159-V163 VanDerWaalsContact O-CG2 3.23Å; N159-V163 WeakPolarHBondContact O-CG2 3.05Å; N159-V163 PolarHBondContact O-N 2.88Å; M160-V163 PolarHBondContact O-N 3.42Å; I161-V163 PolarHBondContact O-N 2.93Å; V163-T165 PolarHBondContact O-N 3.49Å; V163-T166 WeakPolarHBondContact CA-OG1 3.37Å; V163-T166 PolarHBondContact O-N 3.23Å; V163-T166 PolarHBondContact O-OG1 3.13Å; V163-M167 HydrophobicContact CG1-CG 4.35Å; V163-M167 HydrophobicContact CG1-SD 3.95Å; V163-M167 WeakPolarHBondContact O-CB 3.5Å; V163-M167 VanDerWaalsContact O-CG 3.24Å; V163-M167 WeakPolarHBondContact O-CG 3.46Å; V163-M167 PolarHBondContact O-N 3.12Å |
| 164 | S | 90.5 | Very high | 90.1 | Very high | 46 Ų | 46 | 85.4 Ų | 85.4 | 32% | 0.322 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.1 | -40 | 176.1 | 54.3 | 0 | 0 | 0 | 0 | 112.7 | M160 I161 G168 | M160-S164 WeakPolarHBondContact O-CB 3.38Å; M160-S164 PolarHBondContact O-N 2.88Å; M160-S164 PolarHBondContact O-OG 2.92Å; I161-S164 WeakPolarHBondContact CA-OG 3.44Å; I161-S164 PolarHBondContact O-N 3.37Å; I161-S164 PolarHBondContact O-OG 3.5Å; S164-G168 PolarHBondContact O-N 3.46Å |
| 165 | T | 92.2 | Very high | 91.3 | Very high | 74 Ų | 74 | 79.6 Ų | 79.6 | 45% | 0.454 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -68.6 | -42.5 | 176.6 | 54.4 | 0 | 0 | 0 | 0 | 112.2 | I161 L162 V163 G168 M169 | I161-T165 HydrophobicContact CG2-CG2 4.28Å; I161-T165 WeakPolarHBondContact O-CB 3.35Å; I161-T165 VanDerWaalsContact O-CG2 3.3Å; I161-T165 WeakPolarHBondContact O-CG2 3.39Å; I161-T165 PolarHBondContact O-N 3.43Å; I161-T165 PolarHBondContact O-OG1 3.2Å; L162-T165 WeakPolarHBondContact CA-OG1 3.25Å; L162-T165 PolarHBondContact O-OG1 3.25Å; V163-T165 PolarHBondContact O-N 3.49Å; T165-G168 PolarHBondContact O-N 3.45Å; T165-M169 WeakPolarHBondContact O-CG 3.38Å; T165-M169 PolarHBondContact O-N 2.82Å |
| 166 | T | 93.6 | Very high | 92.2 | Very high | 62 Ų | 62 | 81 Ų | 81 | 38% | 0.38 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.3 | -42.8 | 176.1 | 47.9 | 0 | 0 | 0 | 0 | 112.3 | L162 V163 G168 M169 I170 | L162-T166 HydrophobicContact CD1-CG2 4.3Å; L162-T166 WeakPolarHBondContact O-CB 3.47Å; L162-T166 VanDerWaalsContact O-CG2 3.29Å; L162-T166 WeakPolarHBondContact O-CG2 3.37Å; L162-T166 PolarHBondContact O-N 3.39Å; L162-T166 PolarHBondContact O-OG1 3.33Å; V163-T166 WeakPolarHBondContact CA-OG1 3.37Å; V163-T166 PolarHBondContact O-N 3.23Å; V163-T166 PolarHBondContact O-OG1 3.13Å; T166-G168 VanDerWaalsContact C-N 3.33Å; T166-G168 PolarHBondContact O-N 3.41Å; T166-M169 PolarHBondContact O-N 3.18Å; T166-I170 VanDerWaalsContact O-CG1 3.3Å; T166-I170 WeakPolarHBondContact O-CG1 3.42Å; T166-I170 PolarHBondContact O-N 3Å |
| 167 | M | 92.2 | Very high | 92.8 | Very high | 89 Ų | 89 | 83.7 Ų | 83.7 | 44% | 0.438 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -59.9 | -43.1 | 172.3 | -72.7 | 179.5 | 75 | 0 | 0 | 111.6 | I137 V163 M169 I170 I171 | I137-M167 HydrophobicContact CD1-SD 3.85Å; I137-M167 HydrophobicContact CG1-SD 4.09Å; V163-M167 HydrophobicContact CG1-CG 4.35Å; V163-M167 HydrophobicContact CG1-SD 3.95Å; V163-M167 WeakPolarHBondContact O-CB 3.5Å; V163-M167 VanDerWaalsContact O-CG 3.24Å; V163-M167 WeakPolarHBondContact O-CG 3.46Å; V163-M167 PolarHBondContact O-N 3.12Å; M167-M169 PolarHBondContact O-N 3.31Å; M167-I170 PolarHBondContact O-N 2.63Å; M167-I171 WeakPolarHBondContact O-CG1 3.43Å; M167-I171 PolarHBondContact O-N 3.04Å |
| 168 | G | 93.8 | Very high | 93.3 | Very high | 28 Ų | 28 | 80.1 Ų | 80.1 | 29% | 0.289 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -58.8 | -45.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S164 T165 T166 I170 I171 I172 | S164-G168 PolarHBondContact O-N 3.46Å; T165-G168 PolarHBondContact O-N 3.45Å; T166-G168 VanDerWaalsContact C-N 3.33Å; T166-G168 PolarHBondContact O-N 3.41Å; G168-I170 PolarHBondContact O-N 2.71Å; G168-I171 PolarHBondContact O-N 3.45Å; G168-I172 WeakPolarHBondContact O-CG1 3.3Å; G168-I172 PolarHBondContact O-N 2.89Å |
| 169 | M | 95.6 | Very high | 93.7 | Very high | 114 Ų | 114 | 83.8 Ų | 83.8 | 56% | 0.562 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -63.3 | -40.2 | 176.6 | -69 | -64.5 | -74.4 | 0 | 0 | 112.2 | T165 T166 M167 I172 M173 | T165-M169 WeakPolarHBondContact O-CG 3.38Å; T165-M169 PolarHBondContact O-N 2.82Å; T166-M169 PolarHBondContact O-N 3.18Å; M167-M169 PolarHBondContact O-N 3.31Å; M169-I172 PolarHBondContact O-N 3.42Å; M169-M173 WeakPolarHBondContact O-CB 3.47Å; M169-M173 WeakPolarHBondContact O-CG 3.35Å; M169-M173 PolarHBondContact O-N 2.91Å |
| 170 | I | 96.1 | Very high | 94.1 | Very high | 101 Ų | 101 | 88.8 Ų | 88.8 | 52% | 0.518 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.7 | -43.8 | 176.1 | -68.8 | 164.6 | 0 | 0 | 0 | 110.7 | T166 M167 G168 M173 L174 | T166-I170 VanDerWaalsContact O-CG1 3.3Å; T166-I170 WeakPolarHBondContact O-CG1 3.42Å; T166-I170 PolarHBondContact O-N 3Å; M167-I170 PolarHBondContact O-N 2.63Å; G168-I170 PolarHBondContact O-N 2.71Å; I170-M173 PolarHBondContact O-N 3Å; I170-L174 VanDerWaalsContact O-CB 3.26Å; I170-L174 WeakPolarHBondContact O-CB 3.34Å; I170-L174 PolarHBondContact O-N 3.26Å |
| 171 | I | 95.8 | Very high | 94.4 | Very high | 118 Ų | 118 | 92.2 Ų | 92.2 | 61% | 0.605 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.1 | -45.3 | 178.5 | -68.9 | 165.6 | 0 | 0 | 0 | 110.7 | M167 G168 G175 | M167-I171 WeakPolarHBondContact O-CG1 3.43Å; M167-I171 PolarHBondContact O-N 3.04Å; G168-I171 PolarHBondContact O-N 3.45Å; I171-G175 PolarHBondContact O-N 3.31Å |
| 172 | I | 95.7 | Very high | 94.3 | Very high | 118 Ų | 118 | 95.4 Ų | 95.4 | 61% | 0.605 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.3 | -46.9 | 177.6 | -66.8 | 168.7 | 0 | 0 | 0 | 110.6 | G168 M169 G175 A176 | G168-I172 WeakPolarHBondContact O-CG1 3.3Å; G168-I172 PolarHBondContact O-N 2.89Å; M169-I172 PolarHBondContact O-N 3.42Å; I172-G175 PolarHBondContact O-N 3.19Å; I172-A176 WeakPolarHBondContact O-CB 3.34Å; I172-A176 PolarHBondContact O-N 3.48Å |
| 173 | M | 96.3 | Very high | 93.5 | Very high | 114 Ų | 114 | 96.9 Ų | 96.9 | 56% | 0.562 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.1 | -42.7 | 179.7 | -74.7 | -167.4 | -68.4 | 0 | 0 | 112.6 | M169 I170 G175 A176 Y177 | M169-M173 WeakPolarHBondContact O-CB 3.47Å; M169-M173 WeakPolarHBondContact O-CG 3.35Å; M169-M173 PolarHBondContact O-N 2.91Å; I170-M173 PolarHBondContact O-N 3Å; M173-G175 VanDerWaalsContact C-N 3.35Å; M173-A176 PolarHBondContact O-N 3.24Å; M173-Y177 WeakPolarHBondContact O-CB 3.24Å; M173-Y177 PolarHBondContact O-N 3.5Å |
| 174 | L | 96.7 | Very high | 93.7 | Very high | 99 Ų | 99 | 99.9 Ų | 99.9 | 52% | 0.518 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.8 | -43.4 | 176.6 | -177.1 | 65.5 | 0 | 0 | 0 | 110.8 | I170 Y177 L178 | I170-L174 VanDerWaalsContact O-CB 3.26Å; I170-L174 WeakPolarHBondContact O-CB 3.34Å; I170-L174 PolarHBondContact O-N 3.26Å; L174-Y177 PolarHBondContact O-N 3.48Å; L174-L178 HydrophobicContact CD1-CD1 4.45Å; L174-L178 HydrophobicContact CD1-CG 4.47Å; L174-L178 HydrophobicContact CG-CD1 4.14Å; L174-L178 WeakPolarHBondContact O-CB 3.39Å; L174-L178 VanDerWaalsContact O-CG 3.31Å; L174-L178 WeakPolarHBondContact O-CG 3.2Å; L174-L178 PolarHBondContact O-N 3.29Å |
| 175 | G | 95.5 | Very high | 93.8 | Very high | 24 Ų | 24 | 102.7 Ų | 102.7 | 25% | 0.247 | 54% | 0.544 | C | S | . | . | H | α-helix | trans | -57.9 | -51 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | I171 I172 M173 Y177 L178 F179 | I171-G175 PolarHBondContact O-N 3.31Å; I172-G175 PolarHBondContact O-N 3.19Å; M173-G175 VanDerWaalsContact C-N 3.35Å; G175-Y177 VanDerWaalsContact C-N 3.32Å; G175-Y177 PolarHBondContact O-N 2.99Å; G175-L178 PolarHBondContact O-N 3.03Å; G175-F179 WeakPolarHBondContact O-CD2 3.39Å; G175-F179 PolarHBondContact O-N 2.88Å |
| 176 | A | 96.1 | Very high | 93.9 | Very high | 60 Ų | 60 | 104.3 Ų | 104.3 | 50% | 0.496 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -57.9 | -42.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I172 M173 H180 | I172-A176 WeakPolarHBondContact O-CB 3.34Å; I172-A176 PolarHBondContact O-N 3.48Å; M173-A176 PolarHBondContact O-N 3.24Å; A176-H180 VanDerWaalsContact O-CB 3.26Å; A176-H180 WeakPolarHBondContact O-CB 3.48Å; A176-H180 PolarHBondContact O-N 2.96Å |
| 177 | Y | 97.3 | Very high | 93.9 | Very high | 129 Ų | 129 | 106.8 Ų | 106.8 | 51% | 0.506 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63 | -47.1 | 176.8 | 174.3 | -101.5 | 0 | 0 | 0 | 112.4 | M173 L174 G175 H180 K181 | M173-Y177 WeakPolarHBondContact O-CB 3.24Å; M173-Y177 PolarHBondContact O-N 3.5Å; L174-Y177 PolarHBondContact O-N 3.48Å; G175-Y177 VanDerWaalsContact C-N 3.32Å; G175-Y177 PolarHBondContact O-N 2.99Å; Y177-H180 PolarHBondContact O-N 3.15Å; Y177-K181 HydrophobicContact CE1-CD 4.31Å; Y177-K181 WeakPolarHBondContact O-CB 3.35Å; Y177-K181 PolarHBondContact O-N 2.89Å |
| 178 | L | 97.2 | Very high | 94 | Very high | 76 Ų | 76 | 107.9 Ų | 107.9 | 40% | 0.398 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64 | -45.6 | 179.5 | -70.9 | 172.7 | 0 | 0 | 0 | 111.2 | L174 G175 H180 K181 Y182 | L174-L178 HydrophobicContact CD1-CD1 4.45Å; L174-L178 HydrophobicContact CD1-CG 4.47Å; L174-L178 HydrophobicContact CG-CD1 4.14Å; L174-L178 WeakPolarHBondContact O-CB 3.39Å; L174-L178 VanDerWaalsContact O-CG 3.31Å; L174-L178 WeakPolarHBondContact O-CG 3.2Å; L174-L178 PolarHBondContact O-N 3.29Å; G175-L178 PolarHBondContact O-N 3.03Å; L178-H180 VanDerWaalsContact C-N 3.35Å; L178-H180 PolarHBondContact O-N 3.38Å; L178-K181 PolarHBondContact O-N 3.08Å; L178-Y182 HydrophobicContact CD2-CD2 4.31Å; L178-Y182 HydrophobicContact CD2-CE2 3.87Å; L178-Y182 VanDerWaalsContact O-CD2 3.27Å; L178-Y182 WeakPolarHBondContact O-CD2 3.33Å; L178-Y182 PolarHBondContact O-N 2.97Å |
| 179 | F | 94.5 | Very high | 94.1 | Very high | 158 Ų | 158 | 113.3 Ų | 113.3 | 69% | 0.693 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -64.4 | -39.3 | 176.6 | -79.3 | -65.9 | 0 | 0 | 0 | 112.1 | G175 K181 A183 | G175-F179 WeakPolarHBondContact O-CD2 3.39Å; G175-F179 PolarHBondContact O-N 2.88Å; F179-K181 VanDerWaalsContact C-N 3.3Å; F179-K181 PolarHBondContact O-N 3.26Å; F179-A183 WeakPolarHBondContact O-CB 3.43Å; F179-A183 PolarHBondContact O-N 3.26Å |
| 180 | H | 94.8 | Very high | 93.9 | Very high | 160 Ų | 160 | 113.2 Ų | 113.2 | 74% | 0.741 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -63.3 | -36.3 | 175.6 | 178.2 | 57.3 | 0 | 0 | 0 | 112.8 | A176 Y177 L178 | A176-H180 VanDerWaalsContact O-CB 3.26Å; A176-H180 WeakPolarHBondContact O-CB 3.48Å; A176-H180 PolarHBondContact O-N 2.96Å; Y177-H180 PolarHBondContact O-N 3.15Å; L178-H180 VanDerWaalsContact C-N 3.35Å; L178-H180 PolarHBondContact O-N 3.38Å |
| 181 | K | 95.2 | Very high | 93.8 | Very high | 118 Ų | 118 | 114.2 Ų | 114.2 | 51% | 0.513 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -78.4 | -32.5 | -177.4 | -174.3 | 175.9 | -179.6 | -178.9 | 0 | 113.6 | Y177 L178 F179 | Y177-K181 HydrophobicContact CE1-CD 4.31Å; Y177-K181 WeakPolarHBondContact O-CB 3.35Å; Y177-K181 PolarHBondContact O-N 2.89Å; L178-K181 PolarHBondContact O-N 3.08Å; F179-K181 VanDerWaalsContact C-N 3.3Å; F179-K181 PolarHBondContact O-N 3.26Å |
| 182 | Y | 88.8 | Confident | 93.6 | Very high | 175 Ų | 175 | 113.8 Ų | 113.8 | 69% | 0.686 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -114.4 | -2 | -170.6 | -64.3 | -70.7 | 0 | 0 | 0 | 114.9 | L178 | L178-Y182 HydrophobicContact CD2-CD2 4.31Å; L178-Y182 HydrophobicContact CD2-CE2 3.87Å; L178-Y182 VanDerWaalsContact O-CD2 3.27Å; L178-Y182 WeakPolarHBondContact O-CD2 3.33Å; L178-Y182 PolarHBondContact O-N 2.97Å |
| 183 | A | 75.2 | Confident | 93.4 | Very high | 135 Ų | 135 | 113.5 Ų | 113.5 | 100% | 1.116 | 59% | 0.589 | S | S | * | * | trans | -90.7 | 0 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | F179 | F179-A183 WeakPolarHBondContact O-CB 3.43Å; F179-A183 PolarHBondContact O-N 3.26Å |
Retrieved 183 of 183 residues in 300.6 ms
(Link to these results)