| 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 | 56.6 | Low | 72.7 | Confident | 192 Ų | 192 | 132.5 Ų | 132.5 | 95% | 0.946 | 60% | 0.601 | S | S | * | * | 0 | -52.9 | 0 | -61.7 | -171.4 | -173.5 | 0 | 0 | 112.9 | R3 N4 Y5 | M1-R3 VanDerWaalsContact C-N 3.32Å; M1-R3 PolarHBondContact O-N 3.44Å; M1-N4 PolarHBondContact O-N 2.98Å; M1-Y5 WeakPolarHBondContact O-CD2 3.2Å; M1-Y5 WeakPolarHBondContact O-CE2 3.34Å | |||
| 2 | R | 74.2 | Confident | 73.5 | Confident | 223 Ų | 223 | 128.5 Ų | 128.5 | 84% | 0.842 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -52.4 | -38.9 | 179.3 | -72.7 | -172.8 | -77.5 | -176.1 | -3 | 115.7 | N4 Y5 | R2-N4 PolarHBondContact O-N 3.23Å; R2-Y5 PolarHBondContact O-N 3.39Å |
| 3 | R | 67.4 | Low | 73.9 | Confident | 211 Ų | 211 | 123.8 Ų | 123.8 | 80% | 0.796 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -67.2 | -29.7 | -178.6 | -63.9 | -176.8 | -175.6 | 177.4 | 0.7 | 114.2 | M1 Y5 L6 L7 | M1-R3 VanDerWaalsContact C-N 3.32Å; M1-R3 PolarHBondContact O-N 3.44Å; R3-Y5 VanDerWaalsContact C-N 3.33Å; R3-Y5 PolarHBondContact O-N 2.77Å; R3-L6 PolarHBondContact O-N 2.81Å; R3-L7 PolarHBondContact O-N 3.39Å |
| 4 | N | 67.3 | Low | 74.2 | Confident | 122 Ų | 122 | 117.4 Ų | 117.4 | 65% | 0.652 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -71.1 | -31.2 | 179.9 | -67.5 | 7.4 | 0 | 0 | 0 | 111.9 | M1 R2 L6 L7 L8 | M1-N4 PolarHBondContact O-N 2.98Å; R2-N4 PolarHBondContact O-N 3.23Å; N4-L6 VanDerWaalsContact C-N 3.34Å; N4-L7 PolarHBondContact O-N 3.28Å; N4-L8 WeakPolarHBondContact O-CB 3.3Å; N4-L8 PolarHBondContact O-N 3.36Å; N4-L8 VanDerWaalsContact O-N 3.07Å |
| 5 | Y | 75.1 | Confident | 74.3 | Confident | 164 Ų | 164 | 119 Ų | 119 | 64% | 0.643 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67.8 | -35.3 | 175 | -61.7 | -79.7 | 0 | 0 | 0 | 112 | M1 R2 R3 L8 Y9 | M1-Y5 WeakPolarHBondContact O-CD2 3.2Å; M1-Y5 WeakPolarHBondContact O-CE2 3.34Å; R2-Y5 PolarHBondContact O-N 3.39Å; R3-Y5 VanDerWaalsContact C-N 3.33Å; R3-Y5 PolarHBondContact O-N 2.77Å; Y5-L8 PolarHBondContact O-N 3.41Å; Y5-Y9 WeakPolarHBondContact O-CB 3.36Å; Y5-Y9 PolarHBondContact O-N 3.29Å |
| 6 | L | 73.7 | Confident | 74.7 | Confident | 115 Ų | 115 | 116.9 Ų | 116.9 | 60% | 0.602 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66 | -44.6 | 176.1 | -69.7 | 171.2 | 0 | 0 | 0 | 111.4 | R3 N4 L8 Y9 I10 | R3-L6 PolarHBondContact O-N 2.81Å; N4-L6 VanDerWaalsContact C-N 3.34Å; L6-L8 VanDerWaalsContact C-N 3.35Å; L6-L8 PolarHBondContact O-N 2.92Å; L6-Y9 PolarHBondContact O-N 3.37Å; L6-I10 WeakPolarHBondContact O-CG1 3.48Å; L6-I10 PolarHBondContact O-N 3.03Å; L6-I10 VanDerWaalsContact O-N 3.09Å |
| 7 | L | 71.5 | Confident | 74.6 | Confident | 52 Ų | 52 | 113.1 Ų | 113.1 | 27% | 0.272 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.2 | -45.3 | 176.9 | -172.9 | 74.7 | 0 | 0 | 0 | 111.5 | R3 N4 Y9 I10 C11 L72 L76 | R3-L7 PolarHBondContact O-N 3.39Å; N4-L7 PolarHBondContact O-N 3.28Å; L7-Y9 VanDerWaalsContact C-N 3.27Å; L7-Y9 PolarHBondContact O-N 3.23Å; L7-I10 PolarHBondContact O-N 3.06Å; L7-C11 PolarHBondContact O-N 3.2Å; L7-C11 PolarHBondContact O-SG 2.87Å; L7-L72 HydrophobicContact CD1-CD1 3.8Å; L7-L72 HydrophobicContact CD1-CD2 4.44Å; L7-L72 HydrophobicContact CD1-CG 3.92Å; L7-L76 HydrophobicContact CD1-CD1 3.86Å; L7-L76 HydrophobicContact CD1-CD2 3.91Å; L7-L76 HydrophobicContact CD1-CG 3.83Å; L7-L76 HydrophobicContact CD2-CD1 4.49Å; L7-L76 HydrophobicContact CD2-CD2 3.77Å; L7-L76 HydrophobicContact CG-CD2 4.48Å |
| 8 | L | 79.2 | Confident | 74.5 | Confident | 105 Ų | 105 | 111.5 Ų | 111.5 | 55% | 0.55 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -58 | -42.6 | 177.3 | -175.4 | 67.6 | 0 | 0 | 0 | 111.4 | N4 Y5 L6 C11 I12 | N4-L8 WeakPolarHBondContact O-CB 3.3Å; N4-L8 PolarHBondContact O-N 3.36Å; N4-L8 VanDerWaalsContact O-N 3.07Å; Y5-L8 PolarHBondContact O-N 3.41Å; L6-L8 VanDerWaalsContact C-N 3.35Å; L6-L8 PolarHBondContact O-N 2.92Å; L8-C11 PolarHBondContact O-N 3.4Å; L8-I12 HydrophobicContact CD1-CD1 4.49Å; L8-I12 HydrophobicContact CG-CD1 4.06Å; L8-I12 VanDerWaalsContact O-CG1 3.3Å; L8-I12 WeakPolarHBondContact O-CG1 3.43Å; L8-I12 PolarHBondContact O-N 3.21Å |
| 9 | Y | 79 | Confident | 74.2 | Confident | 155 Ų | 155 | 113.4 Ų | 113.4 | 61% | 0.608 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.9 | -43.4 | 179.2 | -167.4 | -105.7 | 0 | 0 | 0 | 112.4 | Y5 L6 L7 C11 I12 I13 | Y5-Y9 WeakPolarHBondContact O-CB 3.36Å; Y5-Y9 PolarHBondContact O-N 3.29Å; L6-Y9 PolarHBondContact O-N 3.37Å; L7-Y9 VanDerWaalsContact C-N 3.27Å; L7-Y9 PolarHBondContact O-N 3.23Å; Y9-C11 PolarHBondContact O-N 2.72Å; Y9-I12 PolarHBondContact O-N 2.85Å; Y9-I13 HydrophobicContact CD1-CD1 3.57Å; Y9-I13 HydrophobicContact CD1-CG1 4.48Å; Y9-I13 HydrophobicContact CE1-CD1 3.25Å; Y9-I13 HydrophobicContact CE1-CG1 4.26Å; Y9-I13 HydrophobicContact CG-CD1 4.44Å; Y9-I13 WeakPolarHBondContact O-CG1 3.47Å; Y9-I13 PolarHBondContact O-N 2.95Å; Y9-I13 VanDerWaalsContact O-N 3.07Å |
| 10 | I | 78.2 | Confident | 73.9 | Confident | 57 Ų | 57 | 113.5 Ų | 113.5 | 29% | 0.292 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.8 | -44.5 | 176.5 | -61.8 | 163.7 | 0 | 0 | 0 | 110.5 | L6 L7 I12 I13 V14 L72 | L6-I10 WeakPolarHBondContact O-CG1 3.48Å; L6-I10 PolarHBondContact O-N 3.03Å; L6-I10 VanDerWaalsContact O-N 3.09Å; L7-I10 PolarHBondContact O-N 3.06Å; I10-I12 VanDerWaalsContact C-N 3.32Å; I10-I12 PolarHBondContact O-N 3.07Å; I10-I13 PolarHBondContact O-N 2.73Å; I10-V14 HydrophobicContact CG2-CG2 4.32Å; I10-V14 WeakPolarHBondContact O-CG2 3.46Å; I10-V14 PolarHBondContact O-N 3.05Å; I10-L72 HydrophobicContact CB-CD1 3.97Å; I10-L72 HydrophobicContact CG2-CD1 3.46Å; I10-L72 VanDerWaalsContact CG2-CD1 3.46Å |
| 11 | C | 77.5 | Confident | 73.4 | Confident | 61 Ų | 61 | 110.7 Ų | 110.7 | 41% | 0.412 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.2 | -41.8 | 177.8 | -69.1 | 0 | 0 | 0 | 0 | 112.5 | L7 L8 Y9 V14 F15 | L7-C11 PolarHBondContact O-N 3.2Å; L7-C11 PolarHBondContact O-SG 2.87Å; L8-C11 PolarHBondContact O-N 3.4Å; Y9-C11 PolarHBondContact O-N 2.72Å; C11-V14 PolarHBondContact O-N 3.39Å; C11-F15 WeakPolarHBondContact O-CB 3.21Å; C11-F15 PolarHBondContact O-N 2.81Å |
| 12 | I | 82 | Confident | 73.7 | Confident | 85 Ų | 85 | 107.4 Ų | 107.4 | 44% | 0.436 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.2 | -45.5 | 177.6 | -68 | 164.6 | 0 | 0 | 0 | 110.7 | L8 Y9 I10 V14 F15 I16 | L8-I12 HydrophobicContact CD1-CD1 4.49Å; L8-I12 HydrophobicContact CG-CD1 4.06Å; L8-I12 VanDerWaalsContact O-CG1 3.3Å; L8-I12 WeakPolarHBondContact O-CG1 3.43Å; L8-I12 PolarHBondContact O-N 3.21Å; Y9-I12 PolarHBondContact O-N 2.85Å; I10-I12 VanDerWaalsContact C-N 3.32Å; I10-I12 PolarHBondContact O-N 3.07Å; I12-V14 VanDerWaalsContact C-N 3.34Å; I12-V14 PolarHBondContact O-N 3.45Å; I12-F15 PolarHBondContact O-N 3.27Å; I12-I16 HydrophobicContact CG2-CD1 3.88Å; I12-I16 HydrophobicContact CG2-CG1 4.5Å; I12-I16 WeakPolarHBondContact O-CG1 3.34Å; I12-I16 PolarHBondContact O-N 2.84Å |
| 13 | I | 79.4 | Confident | 73 | Confident | 68 Ų | 68 | 99.9 Ų | 99.9 | 35% | 0.349 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.4 | -46.5 | 177.4 | -70.6 | 169.7 | 0 | 0 | 0 | 110.6 | Y9 I10 F15 I16 L17 | Y9-I13 HydrophobicContact CD1-CD1 3.57Å; Y9-I13 HydrophobicContact CD1-CG1 4.48Å; Y9-I13 HydrophobicContact CE1-CD1 3.25Å; Y9-I13 HydrophobicContact CE1-CG1 4.26Å; Y9-I13 HydrophobicContact CG-CD1 4.44Å; Y9-I13 WeakPolarHBondContact O-CG1 3.47Å; Y9-I13 PolarHBondContact O-N 2.95Å; Y9-I13 VanDerWaalsContact O-N 3.07Å; I10-I13 PolarHBondContact O-N 2.73Å; I13-F15 VanDerWaalsContact C-N 3.31Å; I13-F15 PolarHBondContact O-N 3.21Å; I13-I16 PolarHBondContact O-N 3.49Å; I13-L17 HydrophobicContact CG2-CD1 3.89Å; I13-L17 HydrophobicContact CG2-CG 4.39Å; I13-L17 WeakPolarHBondContact O-CG 3.47Å; I13-L17 PolarHBondContact O-N 2.86Å |
| 14 | V | 78 | Confident | 72.7 | Confident | 34 Ų | 34 | 94.4 Ų | 94.4 | 21% | 0.206 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -61 | -40.8 | 178.2 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | I10 C11 I12 L17 L18 | I10-V14 HydrophobicContact CG2-CG2 4.32Å; I10-V14 WeakPolarHBondContact O-CG2 3.46Å; I10-V14 PolarHBondContact O-N 3.05Å; C11-V14 PolarHBondContact O-N 3.39Å; I12-V14 VanDerWaalsContact C-N 3.34Å; I12-V14 PolarHBondContact O-N 3.45Å; V14-L17 PolarHBondContact O-N 3.47Å; V14-L18 HydrophobicContact CG1-CD1 3.93Å; V14-L18 HydrophobicContact CG1-CG 4.36Å; V14-L18 WeakPolarHBondContact O-CB 3.16Å; V14-L18 VanDerWaalsContact O-CG 3.29Å; V14-L18 WeakPolarHBondContact O-CG 3.42Å; V14-L18 PolarHBondContact O-N 2.98Å |
| 15 | F | 76.1 | Confident | 72.2 | Confident | 141 Ų | 141 | 91.1 Ų | 91.1 | 62% | 0.618 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -64.5 | -42.5 | 177.6 | -176.4 | -96 | 0 | 0 | 0 | 112.9 | C11 I12 I13 L18 K19 | C11-F15 WeakPolarHBondContact O-CB 3.21Å; C11-F15 PolarHBondContact O-N 2.81Å; I12-F15 PolarHBondContact O-N 3.27Å; I13-F15 VanDerWaalsContact C-N 3.31Å; I13-F15 PolarHBondContact O-N 3.21Å; F15-L18 PolarHBondContact O-N 3.18Å; F15-K19 PolarHBondContact O-N 3.48Å |
| 16 | I | 79.3 | Confident | 71.3 | Confident | 85 Ų | 85 | 93.4 Ų | 93.4 | 44% | 0.436 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62 | -48.2 | 176.5 | -66.9 | 167.1 | 0 | 0 | 0 | 109.8 | I12 I13 L18 K19 E20 | I12-I16 HydrophobicContact CG2-CD1 3.88Å; I12-I16 HydrophobicContact CG2-CG1 4.5Å; I12-I16 WeakPolarHBondContact O-CG1 3.34Å; I12-I16 PolarHBondContact O-N 2.84Å; I13-I16 PolarHBondContact O-N 3.49Å; I16-L18 PolarHBondContact O-N 3.25Å; I16-K19 PolarHBondContact O-N 3.2Å; I16-E20 PolarHBondContact O-N 3.19Å |
| 17 | L | 73.1 | Confident | 70.4 | Confident | 52 Ų | 52 | 92.7 Ų | 92.7 | 27% | 0.272 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -58.3 | -46.9 | 177 | -70.6 | 172.7 | 0 | 0 | 0 | 111.4 | I13 V14 K19 E20 I21 F61 | I13-L17 HydrophobicContact CG2-CD1 3.89Å; I13-L17 HydrophobicContact CG2-CG 4.39Å; I13-L17 WeakPolarHBondContact O-CG 3.47Å; I13-L17 PolarHBondContact O-N 2.86Å; V14-L17 PolarHBondContact O-N 3.47Å; L17-K19 VanDerWaalsContact C-N 3.3Å; L17-K19 PolarHBondContact O-N 3.41Å; L17-E20 PolarHBondContact O-N 2.92Å; L17-E20 VanDerWaalsContact O-N 3.15Å; L17-I21 WeakPolarHBondContact O-CD1 3.43Å; L17-I21 VanDerWaalsContact O-CG1 3.28Å; L17-I21 WeakPolarHBondContact O-CG1 3.41Å; L17-I21 PolarHBondContact O-N 3.34Å; L17-F61 HydrophobicContact CB-CZ 4.43Å |
| 18 | L | 72.9 | Confident | 69.7 | Low | 85 Ų | 85 | 94.4 Ų | 94.4 | 45% | 0.445 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -55.3 | -43.8 | 176.6 | -79.4 | 171.1 | 0 | 0 | 0 | 112.6 | V14 F15 I16 I21 N22 L65 | V14-L18 HydrophobicContact CG1-CD1 3.93Å; V14-L18 HydrophobicContact CG1-CG 4.36Å; V14-L18 WeakPolarHBondContact O-CB 3.16Å; V14-L18 VanDerWaalsContact O-CG 3.29Å; V14-L18 WeakPolarHBondContact O-CG 3.42Å; V14-L18 PolarHBondContact O-N 2.98Å; F15-L18 PolarHBondContact O-N 3.18Å; I16-L18 PolarHBondContact O-N 3.25Å; L18-I21 HydrophobicContact CD2-CD1 4.41Å; L18-N22 WeakPolarHBondContact O-CB 3.37Å; L18-N22 PolarHBondContact O-N 3.31Å; L18-N22 VanDerWaalsContact O-N 3.13Å; L18-L65 HydrophobicContact CD2-CD1 4.05Å |
| 19 | K | 70.2 | Confident | 68.6 | Low | 147 Ų | 147 | 98.5 Ų | 98.5 | 64% | 0.639 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66 | -41 | 178.1 | -171 | 179.8 | 178.6 | -176.4 | 0 | 111.8 | F15 I16 L17 N22 A23 | F15-K19 PolarHBondContact O-N 3.48Å; I16-K19 PolarHBondContact O-N 3.2Å; L17-K19 VanDerWaalsContact C-N 3.3Å; L17-K19 PolarHBondContact O-N 3.41Å; K19-N22 PolarHBondContact O-N 2.85Å; K19-A23 WeakPolarHBondContact O-CB 3.35Å; K19-A23 PolarHBondContact O-N 2.9Å |
| 20 | E | 67.3 | Low | 67.6 | Low | 116 Ų | 116 | 98.9 Ų | 98.9 | 54% | 0.542 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.7 | -39.1 | 179.3 | -73.5 | -171 | 170.1 | 0 | 0 | 112.8 | I16 L17 N22 A23 S24 | I16-E20 PolarHBondContact O-N 3.19Å; L17-E20 PolarHBondContact O-N 2.92Å; L17-E20 VanDerWaalsContact O-N 3.15Å; E20-N22 VanDerWaalsContact C-N 3.34Å; E20-A23 PolarHBondContact O-N 3.16Å; E20-S24 VanDerWaalsContact O-CB 3.31Å; E20-S24 WeakPolarHBondContact O-CB 3.47Å; E20-S24 PolarHBondContact O-N 3.47Å; E20-S24 PolarHBondContact O-OG 3.22Å |
| 21 | I | 63.5 | Low | 66.8 | Low | 54 Ų | 54 | 99.4 Ų | 99.4 | 28% | 0.277 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.3 | -39.4 | 175.5 | -46.5 | 125.2 | 0 | 0 | 0 | 110.1 | L17 L18 A23 S24 G25 F61 | L17-I21 WeakPolarHBondContact O-CD1 3.43Å; L17-I21 VanDerWaalsContact O-CG1 3.28Å; L17-I21 WeakPolarHBondContact O-CG1 3.41Å; L17-I21 PolarHBondContact O-N 3.34Å; L18-I21 HydrophobicContact CD2-CD1 4.41Å; I21-A23 VanDerWaalsContact C-N 3.27Å; I21-A23 PolarHBondContact O-N 3.06Å; I21-S24 CarbonylContact O-C 3.49Å; I21-S24 PolarHBondContact O-N 2.88Å; I21-S24 VanDerWaalsContact O-N 3.16Å; I21-G25 PolarHBondContact O-N 3.08Å; I21-F61 HydrophobicContact CD1-CD1 3.71Å; I21-F61 HydrophobicContact CD1-CE1 2.88Å; I21-F61 HydrophobicContact CD1-CE2 4.2Å; I21-F61 HydrophobicContact CD1-CZ 3.17Å; I21-F61 HydrophobicContact CG1-CD1 3.82Å; I21-F61 HydrophobicContact CG1-CD2 4.37Å; I21-F61 HydrophobicContact CG1-CE1 3.31Å; I21-F61 HydrophobicContact CG1-CE2 3.86Å; I21-F61 HydrophobicContact CG1-CG 4.35Å; I21-F61 HydrophobicContact CG1-CZ 3.32Å |
| 22 | N | 63.4 | Low | 66.1 | Low | 124 Ų | 124 | 101.3 Ų | 101.3 | 66% | 0.663 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.7 | -35.8 | 178 | -166.8 | 24.9 | 0 | 0 | 0 | 111.2 | L18 K19 E20 | L18-N22 WeakPolarHBondContact O-CB 3.37Å; L18-N22 PolarHBondContact O-N 3.31Å; L18-N22 VanDerWaalsContact O-N 3.13Å; K19-N22 PolarHBondContact O-N 2.85Å; E20-N22 VanDerWaalsContact C-N 3.34Å |
| 23 | A | 59.9 | Low | 65.5 | Low | 64 Ų | 64 | 101.7 Ų | 101.7 | 53% | 0.529 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.8 | -41.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | K19 E20 I21 G25 R26 | K19-A23 WeakPolarHBondContact O-CB 3.35Å; K19-A23 PolarHBondContact O-N 2.9Å; E20-A23 PolarHBondContact O-N 3.16Å; I21-A23 VanDerWaalsContact C-N 3.27Å; I21-A23 PolarHBondContact O-N 3.06Å; A23-G25 VanDerWaalsContact C-N 3.32Å; A23-G25 PolarHBondContact O-N 3.31Å; A23-R26 PolarHBondContact O-N 2.95Å |
| 24 | S | 59.8 | Low | 65.1 | Low | 97 Ų | 97 | 100.4 Ų | 100.4 | 68% | 0.678 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -71.5 | -26 | 178.1 | -56 | 0 | 0 | 0 | 0 | 113 | E20 I21 R26 | E20-S24 VanDerWaalsContact O-CB 3.31Å; E20-S24 WeakPolarHBondContact O-CB 3.47Å; E20-S24 PolarHBondContact O-N 3.47Å; E20-S24 PolarHBondContact O-OG 3.22Å; I21-S24 CarbonylContact O-C 3.49Å; I21-S24 PolarHBondContact O-N 2.88Å; I21-S24 VanDerWaalsContact O-N 3.16Å; S24-R26 VanDerWaalsContact C-N 3.28Å; S24-R26 PolarHBondContact O-N 2.82Å |
| 25 | G | 57.4 | Low | 65.1 | Low | 53 Ų | 53 | 105.8 Ų | 105.8 | 55% | 0.546 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.5 | -10 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | I21 A23 Q27 | I21-G25 PolarHBondContact O-N 3.08Å; A23-G25 VanDerWaalsContact C-N 3.32Å; A23-G25 PolarHBondContact O-N 3.31Å; G25-Q27 VanDerWaalsContact C-N 3.29Å; G25-Q27 PolarHBondContact O-N 2.83Å |
| 26 | R | 55.7 | Low | 65.3 | Low | 211 Ų | 211 | 105.6 Ų | 105.6 | 80% | 0.796 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -71.6 | 91.5 | 164.9 | -74.5 | -173.2 | 176.1 | 179.6 | -1 | 108.4 | A23 S24 P28 | A23-R26 PolarHBondContact O-N 2.95Å; S24-R26 VanDerWaalsContact C-N 3.28Å; S24-R26 PolarHBondContact O-N 2.82Å; R26-P28 WeakPolarHBondContact O-CD 3.43Å |
| 27 | Q | 55.9 | Low | 64.9 | Low | 100 Ų | 100 | 104 Ų | 104 | 47% | 0.467 | 57% | 0.565 | S | S | . | * | trans | -62.1 | 123.3 | 173.5 | -67.1 | -177.9 | -30.2 | 0 | 0 | 109.4 | G25 K29 F51 | G25-Q27 VanDerWaalsContact C-N 3.29Å; G25-Q27 PolarHBondContact O-N 2.83Å; Q27-K29 PolarHBondContact O-N 2.82Å; Q27-F51 HydrophobicContact CG-CZ 4.32Å | ||
| 28 | P | 55.7 | Low | 64.9 | Low | 89 Ų | 89 | 106 Ų | 106 | 58% | 0.578 | 58% | 0.577 | S | S | * | * | trans | -61.1 | 125.5 | 171.3 | 23.5 | -30.4 | 0 | 0 | 0 | 108.3 | R26 F30 | R26-P28 WeakPolarHBondContact O-CD 3.43Å; P28-F30 VanDerWaalsContact C-N 3.33Å; P28-F30 HydrophobicContact CB-CE2 4.31Å; P28-F30 HydrophobicContact CB-CZ 4.23Å; P28-F30 HydrophobicContact CG-CD2 4.38Å; P28-F30 HydrophobicContact CG-CE1 4.45Å; P28-F30 HydrophobicContact CG-CE2 3.62Å; P28-F30 HydrophobicContact CG-CZ 3.65Å; P28-F30 WeakPolarHBondContact O-CD2 3.15Å; P28-F30 PolarHBondContact O-N 3.43Å | ||
| 29 | K | 57.2 | Low | 64.7 | Low | 190 Ų | 190 | 108.1 Ų | 108.1 | 83% | 0.826 | 59% | 0.587 | S | S | * | * | trans | -72.3 | 94.1 | 172 | -166.8 | 177.9 | -175.8 | -178.9 | 0 | 107.1 | Q27 V31 | Q27-K29 PolarHBondContact O-N 2.82Å; K29-V31 HydrophobicContact CG-CG2 4.29Å; K29-V31 PolarHBondContact O-N 3.45Å | ||
| 30 | F | 57.6 | Low | 64.3 | Low | 163 Ų | 163 | 109.3 Ų | 109.3 | 72% | 0.715 | 59% | 0.588 | S | S | * | * | trans | -68.7 | 113.3 | 170.8 | -65.2 | -74.5 | 0 | 0 | 0 | 108.1 | P28 | P28-F30 VanDerWaalsContact C-N 3.33Å; P28-F30 HydrophobicContact CB-CE2 4.31Å; P28-F30 HydrophobicContact CB-CZ 4.23Å; P28-F30 HydrophobicContact CG-CD2 4.38Å; P28-F30 HydrophobicContact CG-CE1 4.45Å; P28-F30 HydrophobicContact CG-CE2 3.62Å; P28-F30 HydrophobicContact CG-CZ 3.65Å; P28-F30 WeakPolarHBondContact O-CD2 3.15Å; P28-F30 PolarHBondContact O-N 3.43Å | ||
| 31 | V | 60.8 | Low | 64 | Low | 69 Ų | 69 | 109.5 Ų | 109.5 | 42% | 0.418 | 60% | 0.602 | S | S | . | * | trans | -103 | 114.7 | 170.7 | -175.8 | 0 | 0 | 0 | 0 | 106.2 | K29 L39 | K29-V31 HydrophobicContact CG-CG2 4.29Å; K29-V31 PolarHBondContact O-N 3.45Å; V31-L39 HydrophobicContact CG1-CB 3.91Å; V31-L39 HydrophobicContact CG1-CD1 4.34Å; V31-L39 HydrophobicContact CG1-CD2 3.37Å; V31-L39 HydrophobicContact CG1-CG 4.04Å | ||
| 32 | N | 62.7 | Low | 63.6 | Low | 101 Ų | 101 | 108.4 Ų | 108.4 | 54% | 0.54 | 60% | 0.604 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.3 | 121.1 | 170.7 | -78.6 | -16.8 | 0 | 0 | 0 | 108 | R40 | N32-R40 PolarHBondContact O-N 2.79Å |
| 33 | V | 70 | Confident | 63.2 | Low | 93 Ų | 93 | 105.2 Ų | 105.2 | 56% | 0.564 | 60% | 0.6 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -94.5 | 120.7 | 172.1 | -172.7 | 0 | 0 | 0 | 0 | 106.2 | L39 | V33-L39 HydrophobicContact CG2-CD2 4.01Å |
| 34 | D | 71.7 | Confident | 63 | Low | 41 Ų | 41 | 106.2 Ų | 106.2 | 22% | 0.219 | 60% | 0.604 | C | S | . | * | P | Polyproline II helix | trans | -71.5 | 171.2 | 172.5 | 62.8 | 20.8 | 0 | 0 | 0 | 111.2 | D36 G37 N38 R40 | D34-D36 PolarHBondContact O-N 3.25Å; D34-D36 VanDerWaalsContact O-N 3.08Å; D34-D36 PolarHBondContact OD1-N 3.38Å; D34-G37 PolarHBondContact O-N 2.96Å; D34-G37 PolarHBondContact OD1-N 3.09Å; D34-N38 PolarHBondContact N-O 2.87Å; D34-N38 WeakPolarHBondContact OD1-CA 3.33Å; D34-N38 WeakPolarHBondContact OD1-CB 3.42Å; D34-N38 PolarHBondContact OD1-N 3.28Å; D34-N38 WeakPolarHBondContact OD2-CB 3.49Å; D34-R40 HydrophobicContact CB-CG 4.34Å; D34-R40 WeakPolarHBondContact OD2-CD 3.18Å |
| 35 | T | 77.4 | Confident | 63 | Low | 147 Ų | 147 | 105.9 Ų | 105.9 | 90% | 0.902 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | -17.7 | -179.1 | -42.1 | 0 | 0 | 0 | 0 | 112.6 | ||
| 36 | D | 79.5 | Confident | 63 | Low | 137 Ų | 137 | 109.5 Ų | 109.5 | 73% | 0.733 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | 2.3 | 178.8 | -57.6 | -40.3 | 0 | 0 | 0 | 112.9 | D34 | D34-D36 PolarHBondContact O-N 3.25Å; D34-D36 VanDerWaalsContact O-N 3.08Å; D34-D36 PolarHBondContact OD1-N 3.38Å |
| 37 | G | 72.5 | Confident | 63 | Low | 50 Ų | 50 | 102.5 Ų | 102.5 | 52% | 0.515 | 59% | 0.586 | S | S | . | * | S | Bend | trans | 81.6 | 7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | D34 | D34-G37 PolarHBondContact O-N 2.96Å; D34-G37 PolarHBondContact OD1-N 3.09Å |
| 38 | N | 73 | Confident | 63.1 | Low | 96 Ų | 96 | 101.1 Ų | 101.1 | 51% | 0.513 | 59% | 0.587 | S | S | . | * | trans | -83.8 | 138.9 | 175.8 | -55.8 | -63.6 | 0 | 0 | 0 | 111.4 | D34 R40 | D34-N38 PolarHBondContact N-O 2.87Å; D34-N38 WeakPolarHBondContact OD1-CA 3.33Å; D34-N38 WeakPolarHBondContact OD1-CB 3.42Å; D34-N38 PolarHBondContact OD1-N 3.28Å; D34-N38 WeakPolarHBondContact OD2-CB 3.49Å; N38-R40 PolarHBondContact O-N 3.25Å; N38-R40 VanDerWaalsContact O-N 3.12Å | ||
| 39 | L | 67.6 | Low | 63.4 | Low | 129 Ų | 129 | 102.6 Ų | 102.6 | 68% | 0.675 | 59% | 0.59 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -75.3 | 101.5 | 173.8 | -52.1 | 178.5 | 0 | 0 | 0 | 108.5 | V31 V33 | V31-L39 HydrophobicContact CG1-CB 3.91Å; V31-L39 HydrophobicContact CG1-CD1 4.34Å; V31-L39 HydrophobicContact CG1-CD2 3.37Å; V31-L39 HydrophobicContact CG1-CG 4.04Å; V33-L39 HydrophobicContact CG2-CD2 4.01Å |
| 40 | R | 62 | Low | 63.3 | Low | 172 Ų | 172 | 99.9 Ų | 99.9 | 65% | 0.649 | 58% | 0.582 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87.6 | 118.6 | 170 | -68.8 | -175.4 | 70.9 | -172.3 | 1.1 | 108.1 | N32 D34 N38 G42 | N32-R40 PolarHBondContact O-N 2.79Å; D34-R40 HydrophobicContact CB-CG 4.34Å; D34-R40 WeakPolarHBondContact OD2-CD 3.18Å; N38-R40 PolarHBondContact O-N 3.25Å; N38-R40 VanDerWaalsContact O-N 3.12Å; R40-G42 VanDerWaalsContact C-N 3.29Å; R40-G42 PolarHBondContact O-N 3.48Å |
| 41 | S | 61.1 | Low | 63.4 | Low | 120 Ų | 120 | 96.4 Ų | 96.4 | 84% | 0.839 | 57% | 0.566 | S | S | * | * | trans | -55.6 | 96.9 | 160.5 | 163.4 | 0 | 0 | 0 | 0 | 107.8 | G43 | S41-G43 PolarHBondContact O-N 3.48Š| ||
| 42 | G | 54.9 | Low | 63.5 | Low | 31 Ų | 31 | 94.8 Ų | 94.8 | 32% | 0.32 | 56% | 0.564 | S | S | . | * | trans | -54.6 | 127.9 | 174 | 0 | 0 | 0 | 0 | 0 | 109.5 | R40 | R40-G42 VanDerWaalsContact C-N 3.29Å; R40-G42 PolarHBondContact O-N 3.48Å | ||
| 43 | G | 55.3 | Low | 63.3 | Low | 56 Ų | 56 | 96.6 Ų | 96.6 | 58% | 0.577 | 57% | 0.569 | S | S | * | * | trans | -52.1 | 137.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | S41 S45 | S41-G43 PolarHBondContact O-N 3.48Å; G43-S45 PolarHBondContact O-N 3.5Å | ||
| 44 | S | 56.2 | Low | 62.8 | Low | 86 Ų | 86 | 96.7 Ų | 96.7 | 60% | 0.601 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -70.1 | 7 | -172.3 | 49 | 0 | 0 | 0 | 0 | 115.5 | S48 | S44-S48 VanDerWaalsContact O-CB 3.32Å; S44-S48 WeakPolarHBondContact O-CB 3.45Å; S44-S48 PolarHBondContact O-N 3.41Å; S44-S48 PolarHBondContact O-OG 3.03Å |
| 45 | S | 59.1 | Low | 62.5 | Low | 89 Ų | 89 | 102.4 Ų | 102.4 | 62% | 0.622 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -78.5 | -53.2 | -169.5 | -39.4 | 0 | 0 | 0 | 0 | 112.7 | G43 S48 | G43-S45 PolarHBondContact O-N 3.5Å; S45-S48 PolarHBondContact O-N 3.06Å |
| 46 | D | 58.1 | Low | 62.1 | Low | 129 Ų | 129 | 100.1 Ų | 100.1 | 69% | 0.69 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -75.3 | -29 | 178.5 | -66.2 | -36.4 | 0 | 0 | 0 | 112.5 | S48 D49 M50 | D46-S48 VanDerWaalsContact C-N 3.34Å; D46-D49 PolarHBondContact O-N 3.37Å; D46-M50 PolarHBondContact O-N 3.48Å |
| 47 | I | 55.5 | Low | 61.5 | Low | 65 Ų | 65 | 99.2 Ų | 99.2 | 33% | 0.333 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -68.8 | -35.6 | 177.5 | -66.7 | 178.7 | 0 | 0 | 0 | 110.3 | D49 M50 F51 | I47-D49 VanDerWaalsContact C-N 3.33Å; I47-D49 PolarHBondContact O-N 3.36Å; I47-M50 PolarHBondContact O-N 3.03Å; I47-F51 HydrophobicContact CB-CE2 4.43Å; I47-F51 HydrophobicContact CG2-CD2 3.42Å; I47-F51 VanDerWaalsContact CG2-CD2 3.42Å; I47-F51 HydrophobicContact CG2-CE1 4.3Å; I47-F51 HydrophobicContact CG2-CE2 3.06Å; I47-F51 HydrophobicContact CG2-CG 4.23Å; I47-F51 HydrophobicContact CG2-CZ 3.53Å; I47-F51 WeakPolarHBondContact O-CB 3.32Å; I47-F51 WeakPolarHBondContact O-CD2 3.43Å; I47-F51 WeakPolarHBondContact O-CG 3.48Å; I47-F51 PolarHBondContact O-N 3.47Å |
| 48 | S | 58 | Low | 61.5 | Low | 71 Ų | 71 | 98.6 Ų | 98.6 | 50% | 0.497 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.6 | -34.6 | 178 | -68.9 | 0 | 0 | 0 | 0 | 112.8 | S44 S45 D46 F51 G52 | S44-S48 VanDerWaalsContact O-CB 3.32Å; S44-S48 WeakPolarHBondContact O-CB 3.45Å; S44-S48 PolarHBondContact O-N 3.41Å; S44-S48 PolarHBondContact O-OG 3.03Å; S45-S48 PolarHBondContact O-N 3.06Å; D46-S48 VanDerWaalsContact C-N 3.34Å; S48-F51 PolarHBondContact O-N 3.43Å; S48-G52 PolarHBondContact O-N 3.31Å |
| 49 | D | 61.3 | Low | 61.7 | Low | 120 Ų | 120 | 98 Ų | 98 | 64% | 0.642 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -69.9 | -39.8 | 175.4 | -74.1 | -20.1 | 0 | 0 | 0 | 111.7 | D46 I47 F51 G52 Q53 | D46-D49 PolarHBondContact O-N 3.37Å; I47-D49 VanDerWaalsContact C-N 3.33Å; I47-D49 PolarHBondContact O-N 3.36Å; D49-F51 VanDerWaalsContact C-N 3.33Å; D49-F51 PolarHBondContact O-N 3.07Å; D49-G52 PolarHBondContact O-N 3.03Å; D49-Q53 PolarHBondContact O-N 3.37Å |
| 50 | M | 55.3 | Low | 62.1 | Low | 132 Ų | 132 | 94.3 Ų | 94.3 | 65% | 0.65 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -68.9 | -30.9 | 173.3 | -63.6 | -168.6 | 85.2 | 0 | 0 | 112.6 | D46 I47 N54 | D46-M50 PolarHBondContact O-N 3.48Å; I47-M50 PolarHBondContact O-N 3.03Å; M50-N54 PolarHBondContact O-N 3.33Å |
| 51 | F | 60.3 | Low | 62.7 | Low | 90 Ų | 90 | 88.8 Ų | 88.8 | 40% | 0.395 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -76.6 | -33.5 | 175 | -80.1 | -137.6 | 0 | 0 | 0 | 111.6 | Q27 I47 S48 D49 N54 K55 | Q27-F51 HydrophobicContact CG-CZ 4.32Å; I47-F51 HydrophobicContact CB-CE2 4.43Å; I47-F51 HydrophobicContact CG2-CD2 3.42Å; I47-F51 VanDerWaalsContact CG2-CD2 3.42Å; I47-F51 HydrophobicContact CG2-CE1 4.3Å; I47-F51 HydrophobicContact CG2-CE2 3.06Å; I47-F51 HydrophobicContact CG2-CG 4.23Å; I47-F51 HydrophobicContact CG2-CZ 3.53Å; I47-F51 WeakPolarHBondContact O-CB 3.32Å; I47-F51 WeakPolarHBondContact O-CD2 3.43Å; I47-F51 WeakPolarHBondContact O-CG 3.48Å; I47-F51 PolarHBondContact O-N 3.47Å; S48-F51 PolarHBondContact O-N 3.43Å; D49-F51 VanDerWaalsContact C-N 3.33Å; D49-F51 PolarHBondContact O-N 3.07Å; F51-N54 CarbonylContact O-C 3.53Å; F51-N54 PolarHBondContact O-N 3.31Å; F51-K55 WeakPolarHBondContact O-CB 3.32Å; F51-K55 PolarHBondContact O-N 3.37Å |
| 52 | G | 61.4 | Low | 63.3 | Low | 35 Ų | 35 | 89.2 Ų | 89.2 | 36% | 0.361 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.6 | -41.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S48 D49 K55 T56 | S48-G52 PolarHBondContact O-N 3.31Å; D49-G52 PolarHBondContact O-N 3.03Å; G52-K55 WeakPolarHBondContact O-CB 3.43Å; G52-K55 PolarHBondContact O-N 3.31Å; G52-T56 PolarHBondContact O-N 3.43Å; G52-T56 VanDerWaalsContact O-N 3.08Å; G52-T56 PolarHBondContact O-OG1 3.29Å; G52-T56 VanDerWaalsContact O-OG1 3.06Å |
| 53 | Q | 60 | Low | 64.6 | Low | 140 Ų | 140 | 91.2 Ų | 91.2 | 65% | 0.654 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65 | -43.6 | 170.7 | -76 | -169 | 5.5 | 0 | 0 | 112.2 | D49 K55 T56 L57 | D49-Q53 PolarHBondContact O-N 3.37Å; Q53-K55 VanDerWaalsContact C-N 3.25Å; Q53-K55 PolarHBondContact O-N 3.46Å; Q53-T56 WeakPolarHBondContact O-CA 3.34Å; Q53-T56 WeakPolarHBondContact O-CB 2.96Å; Q53-T56 PolarHBondContact O-N 2.8Å; Q53-L57 PolarHBondContact O-N 3.4Å |
| 54 | N | 59.9 | Low | 65.8 | Low | 94 Ų | 94 | 93.4 Ų | 93.4 | 50% | 0.503 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.3 | -31.4 | 174.2 | -96.7 | -36.5 | 0 | 0 | 0 | 113 | M50 F51 T56 G58 | M50-N54 PolarHBondContact O-N 3.33Å; F51-N54 CarbonylContact O-C 3.53Å; F51-N54 PolarHBondContact O-N 3.31Å; N54-T56 VanDerWaalsContact C-N 3.33Å; N54-G58 PolarHBondContact O-N 2.99Å |
| 55 | K | 64.7 | Low | 67 | Low | 161 Ų | 161 | 91.1 Ų | 91.1 | 70% | 0.7 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -68 | -35.3 | 172.5 | -163.4 | 175.9 | -177.6 | -179.1 | 0 | 111.6 | F51 G52 Q53 T59 | F51-K55 WeakPolarHBondContact O-CB 3.32Å; F51-K55 PolarHBondContact O-N 3.37Å; G52-K55 WeakPolarHBondContact O-CB 3.43Å; G52-K55 PolarHBondContact O-N 3.31Å; Q53-K55 VanDerWaalsContact C-N 3.25Å; Q53-K55 PolarHBondContact O-N 3.46Å; K55-T59 WeakPolarHBondContact O-CB 3.28Å; K55-T59 PolarHBondContact O-N 3.2Å; K55-T59 PolarHBondContact O-OG1 3.13Å |
| 56 | T | 69.5 | Low | 68.1 | Low | 100 Ų | 100 | 91.5 Ų | 91.5 | 61% | 0.613 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -69.4 | -46.7 | 174.2 | -54.7 | 0 | 0 | 0 | 0 | 111.2 | G52 Q53 N54 G58 T59 A60 | G52-T56 PolarHBondContact O-N 3.43Å; G52-T56 VanDerWaalsContact O-N 3.08Å; G52-T56 PolarHBondContact O-OG1 3.29Å; G52-T56 VanDerWaalsContact O-OG1 3.06Å; Q53-T56 WeakPolarHBondContact O-CA 3.34Å; Q53-T56 WeakPolarHBondContact O-CB 2.96Å; Q53-T56 PolarHBondContact O-N 2.8Å; N54-T56 VanDerWaalsContact C-N 3.33Å; T56-G58 VanDerWaalsContact C-N 3.34Å; T56-G58 PolarHBondContact O-N 3.3Å; T56-T59 PolarHBondContact O-N 2.82Å; T56-T59 VanDerWaalsContact O-N 3.16Å; T56-A60 PolarHBondContact O-N 3.02Å |
| 57 | L | 66.6 | Low | 69.1 | Low | 117 Ų | 117 | 89.6 Ų | 89.6 | 61% | 0.613 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -60.1 | -43.1 | 174 | -114.5 | 150.6 | 0 | 0 | 0 | 111.5 | Q53 T59 A60 F61 | Q53-L57 PolarHBondContact O-N 3.4Å; L57-T59 VanDerWaalsContact C-N 3.33Å; L57-T59 PolarHBondContact O-N 3.07Å; L57-A60 PolarHBondContact O-N 3.01Å; L57-F61 WeakPolarHBondContact O-CB 3.29Å; L57-F61 PolarHBondContact O-N 3.04Å |
| 58 | G | 72.3 | Confident | 70.1 | Confident | 37 Ų | 37 | 89.9 Ų | 89.9 | 38% | 0.381 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.7 | -34.3 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | N54 T56 K62 | N54-G58 PolarHBondContact O-N 2.99Å; T56-G58 VanDerWaalsContact C-N 3.34Å; T56-G58 PolarHBondContact O-N 3.3Å; G58-K62 WeakPolarHBondContact O-CB 3.38Å; G58-K62 PolarHBondContact O-N 3.2Å |
| 59 | T | 76.3 | Confident | 71.2 | Confident | 83 Ų | 83 | 92.8 Ų | 92.8 | 51% | 0.509 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -71.9 | -46.8 | 175.4 | -55.8 | 0 | 0 | 0 | 0 | 111.1 | K55 T56 L57 F61 K62 T63 | K55-T59 WeakPolarHBondContact O-CB 3.28Å; K55-T59 PolarHBondContact O-N 3.2Å; K55-T59 PolarHBondContact O-OG1 3.13Å; T56-T59 PolarHBondContact O-N 2.82Å; T56-T59 VanDerWaalsContact O-N 3.16Å; L57-T59 VanDerWaalsContact C-N 3.33Å; L57-T59 PolarHBondContact O-N 3.07Å; T59-F61 VanDerWaalsContact C-N 3.28Å; T59-F61 PolarHBondContact O-N 3.33Å; T59-K62 WeakPolarHBondContact O-CB 3.49Å; T59-K62 PolarHBondContact O-N 3.5Å; T59-T63 PolarHBondContact O-N 2.72Å; T59-T63 PolarHBondContact O-OG1 3.22Å; T59-T63 VanDerWaalsContact O-OG1 3.05Å |
| 60 | A | 77.1 | Confident | 72.2 | Confident | 53 Ų | 53 | 90.2 Ų | 90.2 | 44% | 0.438 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.2 | -42.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | T56 L57 T63 L64 | T56-A60 PolarHBondContact O-N 3.02Å; L57-A60 PolarHBondContact O-N 3.01Å; A60-T63 WeakPolarHBondContact O-CB 3.47Å; A60-T63 PolarHBondContact O-N 3.15Å; A60-L64 WeakPolarHBondContact O-CG 3.3Å; A60-L64 PolarHBondContact O-N 3.34Å |
| 61 | F | 74.5 | Confident | 73.2 | Confident | 55 Ų | 55 | 88.5 Ų | 88.5 | 24% | 0.241 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -64.1 | -43.3 | 175.6 | -166.8 | -81.5 | 0 | 0 | 0 | 112 | L17 I21 L57 T59 T63 L64 L65 | L17-F61 HydrophobicContact CB-CZ 4.43Å; I21-F61 HydrophobicContact CD1-CD1 3.71Å; I21-F61 HydrophobicContact CD1-CE1 2.88Å; I21-F61 HydrophobicContact CD1-CE2 4.2Å; I21-F61 HydrophobicContact CD1-CZ 3.17Å; I21-F61 HydrophobicContact CG1-CD1 3.82Å; I21-F61 HydrophobicContact CG1-CD2 4.37Å; I21-F61 HydrophobicContact CG1-CE1 3.31Å; I21-F61 HydrophobicContact CG1-CE2 3.86Å; I21-F61 HydrophobicContact CG1-CG 4.35Å; I21-F61 HydrophobicContact CG1-CZ 3.32Å; L57-F61 WeakPolarHBondContact O-CB 3.29Å; L57-F61 PolarHBondContact O-N 3.04Å; T59-F61 VanDerWaalsContact C-N 3.28Å; T59-F61 PolarHBondContact O-N 3.33Å; F61-T63 VanDerWaalsContact C-N 3.27Å; F61-T63 PolarHBondContact O-N 3.43Å; F61-L64 PolarHBondContact O-N 2.99Å; F61-L65 HydrophobicContact CD1-CD1 3.82Å; F61-L65 HydrophobicContact CD1-CG 3.9Å; F61-L65 HydrophobicContact CE1-CD1 3.46Å; F61-L65 VanDerWaalsContact CE1-CD1 3.46Å; F61-L65 HydrophobicContact CE1-CD2 3.83Å; F61-L65 HydrophobicContact CE1-CG 3.38Å; F61-L65 HydrophobicContact CZ-CD2 4.31Å; F61-L65 HydrophobicContact CZ-CG 4.24Å; F61-L65 PolarHBondContact O-N 3.45Å |
| 62 | K | 73.8 | Confident | 73.9 | Confident | 129 Ų | 129 | 84.7 Ų | 84.7 | 56% | 0.561 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -59.3 | -40.1 | 173.2 | -177.4 | -179.9 | 178.4 | -174.7 | 0 | 111.2 | G58 T59 L65 H66 | G58-K62 WeakPolarHBondContact O-CB 3.38Å; G58-K62 PolarHBondContact O-N 3.2Å; T59-K62 WeakPolarHBondContact O-CB 3.49Å; T59-K62 PolarHBondContact O-N 3.5Å; K62-L65 PolarHBondContact O-N 3.39Å; K62-H66 PolarHBondContact O-N 3.43Å; K62-H66 PolarHBondContact O-ND1 2.89Å |
| 63 | T | 81.4 | Confident | 74.3 | Confident | 73 Ų | 73 | 86 Ų | 86 | 45% | 0.448 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -66.1 | -42.5 | 175.5 | -58.7 | 0 | 0 | 0 | 0 | 111.5 | T59 A60 F61 L65 H66 N67 | T59-T63 PolarHBondContact O-N 2.72Å; T59-T63 PolarHBondContact O-OG1 3.22Å; T59-T63 VanDerWaalsContact O-OG1 3.05Å; A60-T63 WeakPolarHBondContact O-CB 3.47Å; A60-T63 PolarHBondContact O-N 3.15Å; F61-T63 VanDerWaalsContact C-N 3.27Å; F61-T63 PolarHBondContact O-N 3.43Å; T63-L65 PolarHBondContact O-N 3.44Å; T63-H66 PolarHBondContact O-N 3.06Å; T63-N67 PolarHBondContact O-N 3Å |
| 64 | L | 80.2 | Confident | 75 | Confident | 102 Ų | 102 | 86 Ų | 86 | 53% | 0.534 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.2 | -42.4 | 175 | -73.1 | 169 | 0 | 0 | 0 | 111.8 | A60 F61 N67 L68 | A60-L64 WeakPolarHBondContact O-CG 3.3Å; A60-L64 PolarHBondContact O-N 3.34Å; F61-L64 PolarHBondContact O-N 2.99Å; L64-N67 PolarHBondContact O-N 3.02Å; L64-L68 WeakPolarHBondContact O-CB 3.38Å; L64-L68 WeakPolarHBondContact O-CG 3.37Å; L64-L68 PolarHBondContact O-N 2.74Å |
| 65 | L | 83 | Confident | 75.3 | Confident | 39 Ų | 39 | 85.9 Ų | 85.9 | 20% | 0.204 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -61 | -43.1 | 172.9 | -77.8 | 178.6 | 0 | 0 | 0 | 112 | L18 F61 K62 T63 L68 W69 | L18-L65 HydrophobicContact CD2-CD1 4.05Å; F61-L65 HydrophobicContact CD1-CD1 3.82Å; F61-L65 HydrophobicContact CD1-CG 3.9Å; F61-L65 HydrophobicContact CE1-CD1 3.46Å; F61-L65 VanDerWaalsContact CE1-CD1 3.46Å; F61-L65 HydrophobicContact CE1-CD2 3.83Å; F61-L65 HydrophobicContact CE1-CG 3.38Å; F61-L65 HydrophobicContact CZ-CD2 4.31Å; F61-L65 HydrophobicContact CZ-CG 4.24Å; F61-L65 PolarHBondContact O-N 3.45Å; K62-L65 PolarHBondContact O-N 3.39Å; T63-L65 PolarHBondContact O-N 3.44Å; L65-L68 PolarHBondContact O-N 2.94Å; L65-W69 WeakPolarHBondContact O-CB 2.94Å; L65-W69 PolarHBondContact O-N 3.35Å |
| 66 | H | 81.7 | Confident | 75.6 | Confident | 96 Ų | 96 | 82 Ų | 82 | 44% | 0.444 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64.4 | -42.2 | 176.9 | -81.1 | 80.8 | 0 | 0 | 0 | 111.3 | K62 T63 L68 W69 D70 | K62-H66 PolarHBondContact O-N 3.43Å; K62-H66 PolarHBondContact O-ND1 2.89Å; T63-H66 PolarHBondContact O-N 3.06Å; H66-L68 PolarHBondContact O-N 3.48Å; H66-W69 PolarHBondContact O-N 2.71Å; H66-D70 WeakPolarHBondContact O-CB 3.31Å; H66-D70 VanDerWaalsContact O-CG 3.28Å; H66-D70 PolarHBondContact O-N 3.5Å |
| 67 | N | 78.7 | Confident | 75.5 | Confident | 89 Ų | 89 | 80.5 Ų | 80.5 | 48% | 0.476 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.6 | -41.3 | 176.4 | -74 | -14.7 | 0 | 0 | 0 | 112.2 | T63 L64 D70 L71 | T63-N67 PolarHBondContact O-N 3Å; L64-N67 PolarHBondContact O-N 3.02Å; N67-D70 PolarHBondContact O-N 3.16Å; N67-L71 WeakPolarHBondContact O-CG 3.41Å; N67-L71 PolarHBondContact O-N 3.33Å |
| 68 | L | 76 | Confident | 75.3 | Confident | 71 Ų | 71 | 80 Ų | 80 | 37% | 0.372 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -66.8 | -39.8 | 175.3 | -74.5 | 172.4 | 0 | 0 | 0 | 111.9 | L64 L65 H66 L71 L72 | L64-L68 WeakPolarHBondContact O-CB 3.38Å; L64-L68 WeakPolarHBondContact O-CG 3.37Å; L64-L68 PolarHBondContact O-N 2.74Å; L65-L68 PolarHBondContact O-N 2.94Å; H66-L68 PolarHBondContact O-N 3.48Å; L68-L71 PolarHBondContact O-N 2.92Å; L68-L72 PolarHBondContact O-N 3.01Å |
| 69 | W | 81.2 | Confident | 74.5 | Confident | 133 Ų | 133 | 86.4 Ų | 86.4 | 50% | 0.504 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.7 | -39.2 | 175.5 | 177 | -111.3 | 0 | 0 | 0 | 112 | L65 H66 L72 K73 | L65-W69 WeakPolarHBondContact O-CB 2.94Å; L65-W69 PolarHBondContact O-N 3.35Å; H66-W69 PolarHBondContact O-N 2.71Å; W69-L72 HydrophobicContact CE3-CD2 3.88Å; W69-L72 HydrophobicContact CH2-CD2 4.29Å; W69-L72 HydrophobicContact CZ3-CD2 3.58Å; W69-L72 WeakPolarHBondContact O-CB 3.45Å; W69-L72 PolarHBondContact O-N 3.31Å; W69-K73 HydrophobicContact CZ2-CG 4.44Å; W69-K73 WeakPolarHBondContact O-CG 3.4Å; W69-K73 PolarHBondContact O-N 2.85Å |
| 70 | D | 82.3 | Confident | 74.4 | Confident | 66 Ų | 66 | 86.6 Ų | 86.6 | 35% | 0.353 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.8 | -39.4 | 175.3 | -76 | -7.7 | 0 | 0 | 0 | 111 | H66 N67 L72 K73 Q74 | H66-D70 WeakPolarHBondContact O-CB 3.31Å; H66-D70 VanDerWaalsContact O-CG 3.28Å; H66-D70 PolarHBondContact O-N 3.5Å; N67-D70 PolarHBondContact O-N 3.16Å; D70-L72 VanDerWaalsContact C-N 3.28Å; D70-L72 PolarHBondContact O-N 2.8Å; D70-K73 PolarHBondContact O-N 3.44Å; D70-Q74 WeakPolarHBondContact O-CB 3.43Å; D70-Q74 WeakPolarHBondContact O-CG 3.42Å; D70-Q74 PolarHBondContact O-N 2.97Å |
| 71 | L | 76 | Confident | 74.3 | Confident | 95 Ų | 95 | 88.3 Ų | 88.3 | 50% | 0.497 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.1 | -36.7 | 171.2 | -73.9 | 170.9 | 0 | 0 | 0 | 112.2 | N67 L68 S75 | N67-L71 WeakPolarHBondContact O-CG 3.41Å; N67-L71 PolarHBondContact O-N 3.33Å; L68-L71 PolarHBondContact O-N 2.92Å; L71-S75 VanDerWaalsContact O-CB 3.3Å; L71-S75 WeakPolarHBondContact O-CB 3.49Å; L71-S75 PolarHBondContact O-N 3.19Å; L71-S75 PolarHBondContact O-OG 3.4Å |
| 72 | L | 74.9 | Confident | 74.3 | Confident | 11 Ų | 11 | 90.2 Ų | 90.2 | 6% | 0.058 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -67.7 | -43.9 | 175.2 | -172.1 | 124.4 | 0 | 0 | 0 | 111.4 | L7 I10 L68 W69 D70 S75 L76 | L7-L72 HydrophobicContact CD1-CD1 3.8Å; L7-L72 HydrophobicContact CD1-CD2 4.44Å; L7-L72 HydrophobicContact CD1-CG 3.92Å; I10-L72 HydrophobicContact CB-CD1 3.97Å; I10-L72 HydrophobicContact CG2-CD1 3.46Å; I10-L72 VanDerWaalsContact CG2-CD1 3.46Å; L68-L72 PolarHBondContact O-N 3.01Å; W69-L72 HydrophobicContact CE3-CD2 3.88Å; W69-L72 HydrophobicContact CH2-CD2 4.29Å; W69-L72 HydrophobicContact CZ3-CD2 3.58Å; W69-L72 WeakPolarHBondContact O-CB 3.45Å; W69-L72 PolarHBondContact O-N 3.31Å; D70-L72 VanDerWaalsContact C-N 3.28Å; D70-L72 PolarHBondContact O-N 2.8Å; L72-S75 PolarHBondContact O-N 3.12Å; L72-L76 HydrophobicContact CD2-CD1 3.89Å; L72-L76 HydrophobicContact CG-CD1 4.37Å; L72-L76 WeakPolarHBondContact O-CG 3.42Å; L72-L76 PolarHBondContact O-N 3.05Å; L72-L76 VanDerWaalsContact O-N 3.07Å |
| 73 | K | 70.8 | Confident | 74.3 | Confident | 63 Ų | 63 | 87.9 Ų | 87.9 | 27% | 0.274 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.4 | -47.2 | 173.3 | -76.5 | 173.3 | 153 | -175.1 | 0 | 112.2 | W69 D70 S75 L76 G77 L78 | W69-K73 HydrophobicContact CZ2-CG 4.44Å; W69-K73 WeakPolarHBondContact O-CG 3.4Å; W69-K73 PolarHBondContact O-N 2.85Å; D70-K73 PolarHBondContact O-N 3.44Å; K73-S75 VanDerWaalsContact C-N 3.28Å; K73-S75 PolarHBondContact O-N 3.2Å; K73-L76 CarbonylContact O-C 3.6Å; K73-L76 PolarHBondContact O-N 2.71Å; K73-G77 PolarHBondContact O-N 3.01Å; K73-L78 PolarHBondContact O-N 3.08Å |
| 74 | Q | 74.2 | Confident | 73.9 | Confident | 139 Ų | 139 | 88.8 Ų | 88.8 | 65% | 0.65 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -58 | -42.2 | 175.2 | -74.8 | 172.7 | 28.9 | 0 | 0 | 111.2 | D70 L76 G77 | D70-Q74 WeakPolarHBondContact O-CB 3.43Å; D70-Q74 WeakPolarHBondContact O-CG 3.42Å; D70-Q74 PolarHBondContact O-N 2.97Å; Q74-L76 VanDerWaalsContact C-N 3.25Å; Q74-L76 PolarHBondContact O-N 3.23Å; Q74-G77 PolarHBondContact O-N 2.95Å |
| 75 | S | 67.3 | Low | 73.5 | Confident | 91 Ų | 91 | 87.9 Ų | 87.9 | 64% | 0.636 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -66.7 | -26.6 | 177.9 | -61.6 | 0 | 0 | 0 | 0 | 113.2 | L71 L72 K73 | L71-S75 VanDerWaalsContact O-CB 3.3Å; L71-S75 WeakPolarHBondContact O-CB 3.49Å; L71-S75 PolarHBondContact O-N 3.19Å; L71-S75 PolarHBondContact O-OG 3.4Å; L72-S75 PolarHBondContact O-N 3.12Å; K73-S75 VanDerWaalsContact C-N 3.28Å; K73-S75 PolarHBondContact O-N 3.2Å |
| 76 | L | 70.2 | Confident | 72.8 | Confident | 81 Ų | 81 | 91.4 Ų | 91.4 | 42% | 0.424 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -90.9 | -7.8 | 177 | -75.2 | 169.6 | 0 | 0 | 0 | 113.6 | L7 L72 K73 Q74 L78 | L7-L76 HydrophobicContact CD1-CD1 3.86Å; L7-L76 HydrophobicContact CD1-CD2 3.91Å; L7-L76 HydrophobicContact CD1-CG 3.83Å; L7-L76 HydrophobicContact CD2-CD1 4.49Å; L7-L76 HydrophobicContact CD2-CD2 3.77Å; L7-L76 HydrophobicContact CG-CD2 4.48Å; L72-L76 HydrophobicContact CD2-CD1 3.89Å; L72-L76 HydrophobicContact CG-CD1 4.37Å; L72-L76 WeakPolarHBondContact O-CG 3.42Å; L72-L76 PolarHBondContact O-N 3.05Å; L72-L76 VanDerWaalsContact O-N 3.07Å; K73-L76 CarbonylContact O-C 3.6Å; K73-L76 PolarHBondContact O-N 2.71Å; Q74-L76 VanDerWaalsContact C-N 3.25Å; Q74-L76 PolarHBondContact O-N 3.23Å; L76-L78 HydrophobicContact CB-CD1 3.98Å; L76-L78 HydrophobicContact CB-CG 4.28Å; L76-L78 HydrophobicContact CD1-CD1 4.3Å; L76-L78 PolarHBondContact O-N 3.04Å |
| 77 | G | 67.1 | Low | 72.1 | Confident | 67 Ų | 67 | 91.1 Ų | 91.1 | 69% | 0.691 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.6 | 20.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | K73 Q74 | K73-G77 PolarHBondContact O-N 3.01Å; Q74-G77 PolarHBondContact O-N 2.95Å |
| 78 | L | 62.2 | Low | 71.6 | Confident | 108 Ų | 108 | 91.3 Ų | 91.3 | 57% | 0.565 | 51% | 0.511 | S | S | * | . | trans | -92 | 135.1 | 176 | -69.4 | 162.8 | 0 | 0 | 0 | 108.9 | K73 L76 | K73-L78 PolarHBondContact O-N 3.08Å; L76-L78 HydrophobicContact CB-CD1 3.98Å; L76-L78 HydrophobicContact CB-CG 4.28Å; L76-L78 HydrophobicContact CD1-CD1 4.3Å; L76-L78 PolarHBondContact O-N 3.04Å | ||
| 79 | P | 56.5 | Low | 71.2 | Confident | 170 Ų | 170 | 93.1 Ų | 93.1 | 100% | 1.104 | 52% | 0.523 | S | S | * | . | trans | -63.2 | 0 | 175.9 | 27.5 | -34 | 0 | 0 | 0 | 113.2 |
Retrieved 79 of 79 residues in 23.4 ms
(Link to these results)