| 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 | 57.2 | Low | 71.9 | Confident | 185 Ų | 185 | 123.6 Ų | 123.6 | 91% | 0.911 | 62% | 0.618 | S | S | * | * | 0 | -48.8 | 0 | -153.1 | 169.5 | -177 | 0 | 0 | 112 | S3 M4 F5 | M1-S3 PolarHBondContact O-N 3.28Å; M1-M4 PolarHBondContact O-N 3.35Å; M1-F5 HydrophobicContact CG-CE2 4.29Å | |||
| 2 | Y | 60.9 | Low | 73.4 | Confident | 199 Ų | 199 | 121 Ų | 121 | 78% | 0.78 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -59.1 | -37 | 177.2 | -71.8 | -78.9 | 0 | 0 | 0 | 115.4 | M4 F5 N6 | Y2-M4 VanDerWaalsContact C-N 3.27Å; Y2-M4 PolarHBondContact O-N 3.29Å; Y2-F5 PolarHBondContact O-N 3.39Å; Y2-N6 PolarHBondContact O-N 3.44Å; Y2-N6 PolarHBondContact O-ND2 2.95Å |
| 3 | S | 62 | Low | 74.8 | Confident | 96 Ų | 96 | 116.8 Ų | 116.8 | 67% | 0.671 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -61.6 | -32.6 | -179.6 | 55.5 | 0 | 0 | 0 | 0 | 113.7 | M1 N6 L7 | M1-S3 PolarHBondContact O-N 3.28Å; S3-N6 PolarHBondContact O-N 3.35Å; S3-L7 PolarHBondContact O-N 3.36Å |
| 4 | M | 63 | Low | 76.1 | Confident | 154 Ų | 154 | 113.4 Ų | 113.4 | 76% | 0.759 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -73.7 | -31.1 | -176.6 | -170.8 | 173.5 | 151 | 0 | 0 | 112.4 | M1 Y2 P8 | M1-M4 PolarHBondContact O-N 3.35Å; Y2-M4 VanDerWaalsContact C-N 3.27Å; Y2-M4 PolarHBondContact O-N 3.29Å; M4-P8 WeakPolarHBondContact O-CD 3.37Å |
| 5 | F | 65.7 | Low | 77.4 | Confident | 141 Ų | 141 | 111 Ų | 111 | 62% | 0.618 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -80.9 | -22.3 | 173.9 | -67.4 | -73.9 | 0 | 0 | 0 | 113.2 | M1 Y2 T9 | M1-F5 HydrophobicContact CG-CE2 4.29Å; Y2-F5 PolarHBondContact O-N 3.39Å; F5-T9 PolarHBondContact O-OG1 3.38Å |
| 6 | N | 71.1 | Confident | 78.6 | Confident | 99 Ų | 99 | 109.1 Ų | 109.1 | 53% | 0.529 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -75.6 | -25.9 | 177.7 | -73.8 | -21.4 | 0 | 0 | 0 | 113.1 | Y2 S3 T9 Y10 | Y2-N6 PolarHBondContact O-N 3.44Å; Y2-N6 PolarHBondContact O-ND2 2.95Å; S3-N6 PolarHBondContact O-N 3.35Å; N6-T9 VanDerWaalsContact CA-OG1 3.3Å; N6-T9 WeakPolarHBondContact CA-OG1 3.17Å; N6-T9 PolarHBondContact O-OG1 2.92Å; N6-Y10 WeakPolarHBondContact O-CB 3.41Å; N6-Y10 PolarHBondContact O-N 2.94Å |
| 7 | L | 75.5 | Confident | 79.6 | Confident | 108 Ų | 108 | 106.8 Ų | 106.8 | 57% | 0.565 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -69.6 | -48.2 | -177.7 | -173 | 72.3 | 0 | 0 | 0 | 112.9 | S3 T9 Y10 L11 | S3-L7 PolarHBondContact O-N 3.36Å; L7-T9 VanDerWaalsContact C-N 3.33Å; L7-T9 PolarHBondContact O-N 3.03Å; L7-Y10 PolarHBondContact O-N 2.97Å; L7-L11 HydrophobicContact CG-CD1 4.18Å; L7-L11 WeakPolarHBondContact O-CG 3.3Å; L7-L11 PolarHBondContact O-N 3.44Å |
| 8 | P | 81.6 | Confident | 80.6 | Confident | 69 Ų | 69 | 107.7 Ų | 107.7 | 45% | 0.448 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.8 | -40.8 | 175.9 | -22.8 | 33.3 | 0 | 0 | 0 | 112.6 | M4 L11 N12 | M4-P8 WeakPolarHBondContact O-CD 3.37Å; P8-L11 PolarHBondContact O-N 3.02Å; P8-N12 WeakPolarHBondContact O-CB 3.13Å; P8-N12 VanDerWaalsContact O-CG 3.23Å; P8-N12 PolarHBondContact O-N 3.46Å; P8-N12 PolarHBondContact O-ND2 2.97Å |
| 9 | T | 83.5 | Confident | 81.5 | Confident | 85 Ų | 85 | 107.8 Ų | 107.8 | 52% | 0.521 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.4 | -41.2 | 179.2 | 45 | 0 | 0 | 0 | 0 | 111.7 | F5 N6 L7 S13 | F5-T9 PolarHBondContact O-OG1 3.38Å; N6-T9 VanDerWaalsContact CA-OG1 3.3Å; N6-T9 WeakPolarHBondContact CA-OG1 3.17Å; N6-T9 PolarHBondContact O-OG1 2.92Å; L7-T9 VanDerWaalsContact C-N 3.33Å; L7-T9 PolarHBondContact O-N 3.03Å; T9-S13 PolarHBondContact O-N 3.38Å |
| 10 | Y | 83.7 | Confident | 82.3 | Confident | 135 Ų | 135 | 107.6 Ų | 107.6 | 53% | 0.529 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.1 | -47.9 | 174.2 | 177 | -100.8 | 0 | 0 | 0 | 112.7 | N6 L7 N12 S13 Q14 | N6-Y10 WeakPolarHBondContact O-CB 3.41Å; N6-Y10 PolarHBondContact O-N 2.94Å; L7-Y10 PolarHBondContact O-N 2.97Å; Y10-N12 VanDerWaalsContact C-N 3.34Å; Y10-N12 PolarHBondContact O-N 2.95Å; Y10-S13 WeakPolarHBondContact O-CB 3.45Å; Y10-S13 PolarHBondContact O-N 2.97Å; Y10-Q14 HydrophobicContact CD1-CG 4.45Å; Y10-Q14 HydrophobicContact CE1-CG 4.01Å; Y10-Q14 HydrophobicContact CE2-CG 4.31Å; Y10-Q14 PolarHBondContact O-N 3.09Å; Y10-Q14 PolarHBondContact OH-NE2 3.18Å |
| 11 | L | 86.4 | Confident | 83.1 | Confident | 89 Ų | 89 | 109.1 Ų | 109.1 | 47% | 0.466 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.9 | -44.2 | 177.9 | -72.6 | 171.7 | 0 | 0 | 0 | 111.4 | L7 P8 S13 Q14 I15 | L7-L11 HydrophobicContact CG-CD1 4.18Å; L7-L11 WeakPolarHBondContact O-CG 3.3Å; L7-L11 PolarHBondContact O-N 3.44Å; P8-L11 PolarHBondContact O-N 3.02Å; L11-S13 VanDerWaalsContact C-N 3.31Å; L11-S13 PolarHBondContact O-N 3.48Å; L11-Q14 PolarHBondContact O-N 3.48Å; L11-I15 WeakPolarHBondContact O-CG1 3.33Å; L11-I15 PolarHBondContact O-N 3.41Å |
| 12 | N | 90.6 | Very high | 85.1 | Confident | 92 Ų | 92 | 104.9 Ų | 104.9 | 49% | 0.492 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.1 | -43.1 | 174.9 | -76.9 | -34.2 | 0 | 0 | 0 | 111.6 | P8 Y10 Q14 I15 I16 | P8-N12 WeakPolarHBondContact O-CB 3.13Å; P8-N12 VanDerWaalsContact O-CG 3.23Å; P8-N12 PolarHBondContact O-N 3.46Å; P8-N12 PolarHBondContact O-ND2 2.97Å; Y10-N12 VanDerWaalsContact C-N 3.34Å; Y10-N12 PolarHBondContact O-N 2.95Å; N12-Q14 VanDerWaalsContact C-N 3.33Å; N12-Q14 PolarHBondContact O-N 3.42Å; N12-I15 PolarHBondContact O-N 3.26Å; N12-I16 WeakPolarHBondContact O-CB 3.49Å; N12-I16 WeakPolarHBondContact O-CD1 3.34Å; N12-I16 WeakPolarHBondContact O-CG1 3.32Å; N12-I16 PolarHBondContact O-N 3.21Å |
| 13 | S | 90.5 | Very high | 86.8 | Confident | 66 Ų | 66 | 99.5 Ų | 99.5 | 46% | 0.462 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.8 | -42.1 | 176 | -170.2 | 0 | 0 | 0 | 0 | 112.1 | T9 Y10 L11 I16 E17 | T9-S13 PolarHBondContact O-N 3.38Å; Y10-S13 WeakPolarHBondContact O-CB 3.45Å; Y10-S13 PolarHBondContact O-N 2.97Å; L11-S13 VanDerWaalsContact C-N 3.31Å; L11-S13 PolarHBondContact O-N 3.48Å; S13-I16 PolarHBondContact O-N 3.05Å; S13-E17 WeakPolarHBondContact O-CG 3.46Å; S13-E17 PolarHBondContact O-N 2.76Å; S13-E17 VanDerWaalsContact O-N 3.09Å |
| 14 | Q | 93.9 | Very high | 88.6 | Confident | 70 Ų | 70 | 99.2 Ų | 99.2 | 33% | 0.327 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.4 | -42.2 | 179.1 | -69.2 | -71.2 | 18.4 | 0 | 0 | 112.2 | Y10 L11 N12 I16 E17 Q18 | Y10-Q14 HydrophobicContact CD1-CG 4.45Å; Y10-Q14 HydrophobicContact CE1-CG 4.01Å; Y10-Q14 HydrophobicContact CE2-CG 4.31Å; Y10-Q14 PolarHBondContact O-N 3.09Å; Y10-Q14 PolarHBondContact OH-NE2 3.18Å; L11-Q14 PolarHBondContact O-N 3.48Å; N12-Q14 VanDerWaalsContact C-N 3.33Å; N12-Q14 PolarHBondContact O-N 3.42Å; Q14-I16 VanDerWaalsContact C-N 3.34Å; Q14-I16 PolarHBondContact O-N 3.17Å; Q14-E17 PolarHBondContact O-N 2.95Å; Q14-Q18 WeakPolarHBondContact O-CG 3.2Å; Q14-Q18 PolarHBondContact O-N 2.88Å |
| 15 | I | 95.6 | Very high | 90.3 | Very high | 77 Ų | 77 | 97.7 Ų | 97.7 | 40% | 0.395 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.5 | -45 | 176.8 | -68.3 | 165.7 | 0 | 0 | 0 | 110.3 | L11 N12 E17 Q18 Q19 | L11-I15 WeakPolarHBondContact O-CG1 3.33Å; L11-I15 PolarHBondContact O-N 3.41Å; N12-I15 PolarHBondContact O-N 3.26Å; I15-E17 VanDerWaalsContact C-N 3.32Å; I15-E17 PolarHBondContact O-N 3.49Å; I15-Q18 PolarHBondContact O-N 3.49Å; I15-Q19 HydrophobicContact CG2-CG 4.35Å; I15-Q19 WeakPolarHBondContact O-CB 3.42Å; I15-Q19 WeakPolarHBondContact O-CG 3.37Å; I15-Q19 PolarHBondContact O-N 3.26Å |
| 16 | I | 95.6 | Very high | 91.8 | Very high | 80 Ų | 80 | 94.8 Ų | 94.8 | 41% | 0.41 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.8 | -43.7 | 177.8 | -70.3 | 164.9 | 0 | 0 | 0 | 110.6 | N12 S13 Q14 Q18 Q19 K20 | N12-I16 WeakPolarHBondContact O-CB 3.49Å; N12-I16 WeakPolarHBondContact O-CD1 3.34Å; N12-I16 WeakPolarHBondContact O-CG1 3.32Å; N12-I16 PolarHBondContact O-N 3.21Å; S13-I16 PolarHBondContact O-N 3.05Å; Q14-I16 VanDerWaalsContact C-N 3.34Å; Q14-I16 PolarHBondContact O-N 3.17Å; I16-Q18 PolarHBondContact O-N 2.96Å; I16-Q19 PolarHBondContact O-N 3.48Å; I16-K20 HydrophobicContact CG2-CD 4.35Å; I16-K20 WeakPolarHBondContact O-CG 3.22Å; I16-K20 PolarHBondContact O-N 3.29Å |
| 17 | E | 96.6 | Very high | 93.1 | Very high | 70 Ų | 70 | 96.5 Ų | 96.5 | 33% | 0.327 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.6 | -32.1 | 178.3 | -73.2 | -53.9 | 129.2 | 0 | 0 | 113.5 | S13 Q14 I15 K20 R21 | S13-E17 WeakPolarHBondContact O-CG 3.46Å; S13-E17 PolarHBondContact O-N 2.76Å; S13-E17 VanDerWaalsContact O-N 3.09Å; Q14-E17 PolarHBondContact O-N 2.95Å; I15-E17 VanDerWaalsContact C-N 3.32Å; I15-E17 PolarHBondContact O-N 3.49Å; E17-K20 IonicContact OE1-NZ 3.11Å; E17-K20 PolarHBondContact OE1-NZ 3.28Å; E17-R21 PolarHBondContact O-N 3.41Å; E17-R21 PolarHBondContact O-NE 3.48Å |
| 18 | Q | 96.9 | Very high | 94.2 | Very high | 124 Ų | 124 | 96.7 Ų | 96.7 | 58% | 0.579 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -68.6 | -44.8 | 171.7 | -72.7 | 176.1 | -7 | 0 | 0 | 111.5 | Q14 I15 I16 K20 R21 L22 | Q14-Q18 WeakPolarHBondContact O-CG 3.2Å; Q14-Q18 PolarHBondContact O-N 2.88Å; I15-Q18 PolarHBondContact O-N 3.49Å; I16-Q18 PolarHBondContact O-N 2.96Å; Q18-K20 PolarHBondContact O-N 3.36Å; Q18-R21 PolarHBondContact O-N 3.27Å; Q18-L22 PolarHBondContact O-N 2.93Å |
| 19 | Q | 97.9 | Very high | 95 | Very high | 109 Ų | 109 | 96.1 Ų | 96.1 | 51% | 0.509 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62 | -42.6 | 177.7 | -73.9 | 175.5 | -16.3 | 0 | 0 | 111.9 | I15 I16 R21 L22 I23 | I15-Q19 HydrophobicContact CG2-CG 4.35Å; I15-Q19 WeakPolarHBondContact O-CB 3.42Å; I15-Q19 WeakPolarHBondContact O-CG 3.37Å; I15-Q19 PolarHBondContact O-N 3.26Å; I16-Q19 PolarHBondContact O-N 3.48Å; Q19-R21 PolarHBondContact O-N 3.47Å; Q19-L22 PolarHBondContact O-N 2.89Å; Q19-I23 WeakPolarHBondContact O-CB 3.35Å; Q19-I23 WeakPolarHBondContact O-CD1 3.47Å; Q19-I23 VanDerWaalsContact O-CG1 3.22Å; Q19-I23 WeakPolarHBondContact O-CG1 3.45Å; Q19-I23 PolarHBondContact O-N 2.95Å |
| 20 | K | 98.1 | Very high | 95.8 | Very high | 104 Ų | 104 | 97.5 Ų | 97.5 | 45% | 0.452 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -57.9 | -47.7 | 174.6 | -75.5 | 175.6 | -175 | 170.3 | 0 | 111.8 | I16 E17 Q18 L22 I23 I24 | I16-K20 HydrophobicContact CG2-CD 4.35Å; I16-K20 WeakPolarHBondContact O-CG 3.22Å; I16-K20 PolarHBondContact O-N 3.29Å; E17-K20 IonicContact OE1-NZ 3.11Å; E17-K20 PolarHBondContact OE1-NZ 3.28Å; Q18-K20 PolarHBondContact O-N 3.36Å; K20-L22 PolarHBondContact O-N 3.35Å; K20-I23 PolarHBondContact O-N 3.37Å; K20-I24 WeakPolarHBondContact O-CG1 3.34Å; K20-I24 PolarHBondContact O-N 3.15Å |
| 21 | R | 98.3 | Very high | 96.5 | Very high | 139 Ų | 139 | 96.8 Ų | 96.8 | 53% | 0.525 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.2 | -44.1 | 177 | -80.8 | -177.2 | -92.2 | -143.8 | -1.3 | 112.1 | E17 Q18 Q19 I24 Q25 | E17-R21 PolarHBondContact O-N 3.41Å; E17-R21 PolarHBondContact O-NE 3.48Å; Q18-R21 PolarHBondContact O-N 3.27Å; Q19-R21 PolarHBondContact O-N 3.47Å; R21-I24 PolarHBondContact O-N 3.06Å; R21-Q25 WeakPolarHBondContact O-CG 3.35Å; R21-Q25 PolarHBondContact O-N 3.33Å; R21-Q25 VanDerWaalsContact O-N 3.15Å |
| 22 | L | 98.6 | Very high | 97.1 | Very high | 96 Ų | 96 | 97.9 Ų | 97.9 | 50% | 0.503 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.6 | -44.7 | 177.1 | 178.9 | 60.7 | 0 | 0 | 0 | 112.1 | Q18 Q19 K20 I24 Q25 I26 | Q18-L22 PolarHBondContact O-N 2.93Å; Q19-L22 PolarHBondContact O-N 2.89Å; K20-L22 PolarHBondContact O-N 3.35Å; L22-I24 VanDerWaalsContact C-N 3.3Å; L22-I24 PolarHBondContact O-N 3.33Å; L22-Q25 PolarHBondContact O-N 3.41Å; L22-I26 HydrophobicContact CD1-CD1 4.05Å; L22-I26 HydrophobicContact CD1-CG1 4.29Å; L22-I26 HydrophobicContact CG-CD1 3.89Å; L22-I26 WeakPolarHBondContact O-CG1 3.34Å; L22-I26 PolarHBondContact O-N 2.95Å |
| 23 | I | 98.4 | Very high | 97.4 | Very high | 87 Ų | 87 | 102.6 Ų | 102.6 | 45% | 0.446 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.7 | -41 | 178.7 | -70.6 | 163.9 | 0 | 0 | 0 | 111 | Q19 K20 I26 K27 | Q19-I23 WeakPolarHBondContact O-CB 3.35Å; Q19-I23 WeakPolarHBondContact O-CD1 3.47Å; Q19-I23 VanDerWaalsContact O-CG1 3.22Å; Q19-I23 WeakPolarHBondContact O-CG1 3.45Å; Q19-I23 PolarHBondContact O-N 2.95Å; K20-I23 PolarHBondContact O-N 3.37Å; I23-I26 PolarHBondContact O-N 3.25Å; I23-K27 HydrophobicContact CG2-CD 4.18Å; I23-K27 WeakPolarHBondContact O-CG 3.48Å; I23-K27 PolarHBondContact O-N 2.92Å |
| 24 | I | 98.4 | Very high | 97.8 | Very high | 90 Ų | 90 | 102.1 Ų | 102.1 | 46% | 0.462 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.5 | -50.1 | 176.6 | -69.2 | 165.1 | 0 | 0 | 0 | 110.3 | K20 R21 L22 I26 K27 E28 | K20-I24 WeakPolarHBondContact O-CG1 3.34Å; K20-I24 PolarHBondContact O-N 3.15Å; R21-I24 PolarHBondContact O-N 3.06Å; L22-I24 VanDerWaalsContact C-N 3.3Å; L22-I24 PolarHBondContact O-N 3.33Å; I24-I26 VanDerWaalsContact C-N 3.31Å; I24-I26 PolarHBondContact O-N 3.11Å; I24-K27 PolarHBondContact O-N 3.39Å; I24-K27 VanDerWaalsContact O-N 3.11Å; I24-E28 HydrophobicContact CG2-CG 4.4Å; I24-E28 WeakPolarHBondContact O-CG 3.48Å; I24-E28 PolarHBondContact O-N 3Å |
| 25 | Q | 98.4 | Very high | 98 | Very high | 122 Ų | 122 | 104.5 Ų | 104.5 | 57% | 0.57 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59.5 | -41.1 | 179 | -68.9 | 175.8 | 27.2 | 0 | 0 | 112.5 | R21 L22 E28 A29 | R21-Q25 WeakPolarHBondContact O-CG 3.35Å; R21-Q25 PolarHBondContact O-N 3.33Å; R21-Q25 VanDerWaalsContact O-N 3.15Å; L22-Q25 PolarHBondContact O-N 3.41Å; Q25-E28 PolarHBondContact O-N 3.42Å; Q25-A29 WeakPolarHBondContact O-CB 3.43Å; Q25-A29 PolarHBondContact O-N 2.97Å |
| 26 | I | 98.7 | Very high | 98.1 | Very high | 80 Ų | 80 | 106.8 Ų | 106.8 | 41% | 0.41 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.7 | -44.7 | 176.9 | -69.4 | 168.4 | 0 | 0 | 0 | 110.4 | L22 I23 I24 A29 Q30 | L22-I26 HydrophobicContact CD1-CD1 4.05Å; L22-I26 HydrophobicContact CD1-CG1 4.29Å; L22-I26 HydrophobicContact CG-CD1 3.89Å; L22-I26 WeakPolarHBondContact O-CG1 3.34Å; L22-I26 PolarHBondContact O-N 2.95Å; I23-I26 PolarHBondContact O-N 3.25Å; I24-I26 VanDerWaalsContact C-N 3.31Å; I24-I26 PolarHBondContact O-N 3.11Å; I26-A29 PolarHBondContact O-N 2.99Å; I26-Q30 HydrophobicContact CG2-CG 4.39Å; I26-Q30 WeakPolarHBondContact O-CB 3.36Å; I26-Q30 VanDerWaalsContact O-CG 3.25Å; I26-Q30 WeakPolarHBondContact O-CG 3.25Å; I26-Q30 PolarHBondContact O-N 3.39Å |
| 27 | K | 98.7 | Very high | 98.2 | Very high | 135 Ų | 135 | 106.6 Ų | 106.6 | 59% | 0.587 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.8 | -43.1 | 178.9 | -75.4 | 179.7 | 175.1 | -173.6 | 0 | 112 | I23 I24 Q30 L31 | I23-K27 HydrophobicContact CG2-CD 4.18Å; I23-K27 WeakPolarHBondContact O-CG 3.48Å; I23-K27 PolarHBondContact O-N 2.92Å; I24-K27 PolarHBondContact O-N 3.39Å; I24-K27 VanDerWaalsContact O-N 3.11Å; K27-Q30 PolarHBondContact O-N 2.96Å; K27-L31 WeakPolarHBondContact O-CB 3.36Å; K27-L31 PolarHBondContact O-N 3.27Å |
| 28 | E | 98.6 | Very high | 98.3 | Very high | 111 Ų | 111 | 107 Ų | 107 | 52% | 0.519 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.2 | -45.9 | 176.2 | -71.7 | 173.7 | 170.4 | 0 | 0 | 111.3 | I24 Q25 Q30 L31 L32 | I24-E28 HydrophobicContact CG2-CG 4.4Å; I24-E28 WeakPolarHBondContact O-CG 3.48Å; I24-E28 PolarHBondContact O-N 3Å; Q25-E28 PolarHBondContact O-N 3.42Å; E28-Q30 VanDerWaalsContact C-N 3.33Å; E28-Q30 PolarHBondContact O-N 3.45Å; E28-L31 PolarHBondContact O-N 2.95Å; E28-L32 WeakPolarHBondContact O-CG 3.41Å; E28-L32 PolarHBondContact O-N 3.36Å |
| 29 | A | 98.4 | Very high | 98.3 | Very high | 57 Ų | 57 | 103.8 Ų | 103.8 | 47% | 0.471 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.5 | -37.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q25 I26 R33 | Q25-A29 WeakPolarHBondContact O-CB 3.43Å; Q25-A29 PolarHBondContact O-N 2.97Å; I26-A29 PolarHBondContact O-N 2.99Å; A29-R33 WeakPolarHBondContact O-CB 3.4Å; A29-R33 PolarHBondContact O-N 2.92Å |
| 30 | Q | 98.6 | Very high | 98.2 | Very high | 114 Ų | 114 | 104.4 Ų | 104.4 | 53% | 0.533 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.6 | -43.1 | 175.1 | -76.5 | 174.2 | -22.7 | 0 | 0 | 111.9 | I26 K27 E28 R33 A34 | I26-Q30 HydrophobicContact CG2-CG 4.39Å; I26-Q30 WeakPolarHBondContact O-CB 3.36Å; I26-Q30 VanDerWaalsContact O-CG 3.25Å; I26-Q30 WeakPolarHBondContact O-CG 3.25Å; I26-Q30 PolarHBondContact O-N 3.39Å; K27-Q30 PolarHBondContact O-N 2.96Å; E28-Q30 VanDerWaalsContact C-N 3.33Å; E28-Q30 PolarHBondContact O-N 3.45Å; Q30-R33 PolarHBondContact O-N 3.14Å; Q30-A34 PolarHBondContact O-N 3.47Å |
| 31 | L | 98.6 | Very high | 98.1 | Very high | 121 Ų | 121 | 103.6 Ų | 103.6 | 63% | 0.634 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.3 | -49.5 | 175.8 | 179.2 | 64.8 | 0 | 0 | 0 | 111 | K27 E28 R33 A34 E35 | K27-L31 WeakPolarHBondContact O-CB 3.36Å; K27-L31 PolarHBondContact O-N 3.27Å; E28-L31 PolarHBondContact O-N 2.95Å; L31-R33 VanDerWaalsContact C-N 3.3Å; L31-R33 PolarHBondContact O-N 3.1Å; L31-A34 PolarHBondContact O-N 3.42Å; L31-A34 VanDerWaalsContact O-N 3.14Å; L31-E35 PolarHBondContact O-N 2.95Å |
| 32 | L | 98.8 | Very high | 97.9 | Very high | 111 Ų | 111 | 104 Ų | 104 | 58% | 0.581 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.2 | -39.6 | 178 | -71.5 | 171 | 0 | 0 | 0 | 112.1 | E28 E35 L36 | E28-L32 WeakPolarHBondContact O-CG 3.41Å; E28-L32 PolarHBondContact O-N 3.36Å; L32-E35 PolarHBondContact O-N 2.93Å; L32-L36 WeakPolarHBondContact O-CB 3.42Å; L32-L36 PolarHBondContact O-N 3.44Å |
| 33 | R | 98.2 | Very high | 97.6 | Very high | 192 Ų | 192 | 105.1 Ų | 105.1 | 73% | 0.725 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.7 | -43.4 | 175.1 | -179.6 | 179.2 | -77.8 | 149.1 | -4.2 | 111.7 | A29 Q30 L31 L36 E37 | A29-R33 WeakPolarHBondContact O-CB 3.4Å; A29-R33 PolarHBondContact O-N 2.92Å; Q30-R33 PolarHBondContact O-N 3.14Å; L31-R33 VanDerWaalsContact C-N 3.3Å; L31-R33 PolarHBondContact O-N 3.1Å; R33-L36 PolarHBondContact O-N 3.01Å; R33-E37 WeakPolarHBondContact O-CB 3.34Å; R33-E37 PolarHBondContact O-N 3.37Å |
| 34 | A | 98.1 | Very high | 97.2 | Very high | 55 Ų | 55 | 104.6 Ų | 104.6 | 46% | 0.455 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.8 | -40.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | Q30 L31 E37 T38 | Q30-A34 PolarHBondContact O-N 3.47Å; L31-A34 PolarHBondContact O-N 3.42Å; L31-A34 VanDerWaalsContact O-N 3.14Å; A34-E37 PolarHBondContact O-N 2.98Å; A34-T38 WeakPolarHBondContact O-CB 3.47Å; A34-T38 PolarHBondContact O-N 3.12Å; A34-T38 PolarHBondContact O-OG1 3.29Å |
| 35 | E | 98.2 | Very high | 96.8 | Very high | 121 Ų | 121 | 107.3 Ų | 107.3 | 57% | 0.565 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.1 | -44.2 | 175.9 | -173.2 | 175.9 | -175.3 | 0 | 0 | 111.9 | L31 L32 E37 T38 C39 | L31-E35 PolarHBondContact O-N 2.95Å; L32-E35 PolarHBondContact O-N 2.93Å; E35-E37 VanDerWaalsContact C-N 3.33Å; E35-E37 PolarHBondContact O-N 3.35Å; E35-T38 WeakPolarHBondContact O-CB 3.39Å; E35-T38 PolarHBondContact O-N 3.28Å; E35-C39 WeakPolarHBondContact O-CB 3.44Å; E35-C39 PolarHBondContact O-N 3.41Å |
| 36 | L | 98.5 | Very high | 96.5 | Very high | 124 Ų | 124 | 105.9 Ų | 105.9 | 65% | 0.649 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.8 | -42.2 | 176.7 | -175.4 | 66.5 | 0 | 0 | 0 | 111.5 | L32 R33 T38 C39 R40 | L32-L36 WeakPolarHBondContact O-CB 3.42Å; L32-L36 PolarHBondContact O-N 3.44Å; R33-L36 PolarHBondContact O-N 3.01Å; L36-T38 VanDerWaalsContact C-N 3.32Å; L36-T38 PolarHBondContact O-N 3.3Å; L36-C39 WeakPolarHBondContact O-CB 3.43Å; L36-C39 PolarHBondContact O-N 3.4Å; L36-R40 WeakPolarHBondContact O-CB 3.49Å; L36-R40 PolarHBondContact O-N 3.48Å |
| 37 | E | 97.5 | Very high | 96 | Very high | 77 Ų | 77 | 104.2 Ų | 104.2 | 36% | 0.36 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.7 | -38.2 | 177.4 | -173.1 | 58.8 | -164.2 | 0 | 0 | 111.7 | R33 A34 E35 R40 H41 | R33-E37 WeakPolarHBondContact O-CB 3.34Å; R33-E37 PolarHBondContact O-N 3.37Å; A34-E37 PolarHBondContact O-N 2.98Å; E35-E37 VanDerWaalsContact C-N 3.33Å; E35-E37 PolarHBondContact O-N 3.35Å; E37-R40 PolarHBondContact O-N 3.23Å; E37-R40 IonicContact OE1-CZ 3.3Å; E37-R40 VanDerWaalsContact OE1-CZ 3.3Å; E37-R40 IonicContact OE1-NE 2.99Å; E37-R40 PolarHBondContact OE1-NE 2.98Å; E37-R40 VanDerWaalsContact OE1-NE 3.11Å; E37-R40 IonicContact OE1-NH2 2.67Å; E37-R40 PolarHBondContact OE1-NH2 3.47Å; E37-R40 IonicContact OE2-CZ 3.88Å; E37-R40 IonicContact OE2-NE 3.74Å; E37-R40 PolarHBondContact OE2-NE 3.05Å; E37-R40 IonicContact OE2-NH2 3.95Å; E37-H41 PolarHBondContact O-N 2.7Å; E37-H41 PolarHBondContact O-ND1 3.48Å; E37-H41 IonicContact OE1-CE1 2.89Å; E37-H41 PolarHBondContact OE1-CE1 3Å; E37-H41 IonicContact OE1-ND1 3.43Å; E37-H41 PolarHBondContact OE1-ND1 3.19Å; E37-H41 IonicContact OE1-NE2 3.88Å |
| 38 | T | 97.4 | Very high | 95.6 | Very high | 77 Ų | 77 | 100.7 Ų | 100.7 | 47% | 0.472 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.8 | -40.5 | 173.8 | -56.3 | 0 | 0 | 0 | 0 | 111.5 | A34 E35 L36 H41 R42 | A34-T38 WeakPolarHBondContact O-CB 3.47Å; A34-T38 PolarHBondContact O-N 3.12Å; A34-T38 PolarHBondContact O-OG1 3.29Å; E35-T38 WeakPolarHBondContact O-CB 3.39Å; E35-T38 PolarHBondContact O-N 3.28Å; L36-T38 VanDerWaalsContact C-N 3.32Å; L36-T38 PolarHBondContact O-N 3.3Å; T38-H41 PolarHBondContact O-N 2.9Å; T38-R42 WeakPolarHBondContact O-CG 3.31Å; T38-R42 PolarHBondContact O-N 3.45Å; T38-R42 VanDerWaalsContact O-N 3.09Å |
| 39 | C | 98.4 | Very high | 95 | Very high | 58 Ų | 58 | 98 Ų | 98 | 39% | 0.392 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.7 | -46.6 | 174.5 | -177.1 | 0 | 0 | 0 | 0 | 111.2 | E35 L36 H41 R42 L43 | E35-C39 WeakPolarHBondContact O-CB 3.44Å; E35-C39 PolarHBondContact O-N 3.41Å; L36-C39 WeakPolarHBondContact O-CB 3.43Å; L36-C39 PolarHBondContact O-N 3.4Å; C39-H41 VanDerWaalsContact C-N 3.34Å; C39-H41 PolarHBondContact O-N 2.85Å; C39-R42 PolarHBondContact O-N 3.26Å; C39-L43 WeakPolarHBondContact O-CB 3.48Å; C39-L43 PolarHBondContact O-N 2.83Å |
| 40 | R | 95.8 | Very high | 94.4 | Very high | 122 Ų | 122 | 101.4 Ų | 101.4 | 46% | 0.46 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -55.2 | -48.2 | 176.2 | -172.9 | -174.9 | 78.9 | 88.5 | 3.7 | 111.5 | L36 E37 L43 L44 | L36-R40 WeakPolarHBondContact O-CB 3.49Å; L36-R40 PolarHBondContact O-N 3.48Å; E37-R40 PolarHBondContact O-N 3.23Å; E37-R40 IonicContact OE1-CZ 3.3Å; E37-R40 VanDerWaalsContact OE1-CZ 3.3Å; E37-R40 IonicContact OE1-NE 2.99Å; E37-R40 PolarHBondContact OE1-NE 2.98Å; E37-R40 VanDerWaalsContact OE1-NE 3.11Å; E37-R40 IonicContact OE1-NH2 2.67Å; E37-R40 PolarHBondContact OE1-NH2 3.47Å; E37-R40 IonicContact OE2-CZ 3.88Å; E37-R40 IonicContact OE2-NE 3.74Å; E37-R40 PolarHBondContact OE2-NE 3.05Å; E37-R40 IonicContact OE2-NH2 3.95Å; R40-L43 PolarHBondContact O-N 3.11Å; R40-L44 HydrophobicContact CG-CD1 4.22Å; R40-L44 WeakPolarHBondContact O-CG 3.31Å; R40-L44 PolarHBondContact O-N 3.43Å |
| 41 | H | 95.1 | Very high | 93.8 | Very high | 87 Ų | 87 | 99.2 Ų | 99.2 | 40% | 0.403 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.6 | -50.5 | 178.1 | -77.8 | 95.3 | 0 | 0 | 0 | 112.2 | E37 T38 C39 L43 L44 E45 | E37-H41 PolarHBondContact O-N 2.7Å; E37-H41 PolarHBondContact O-ND1 3.48Å; E37-H41 IonicContact OE1-CE1 2.89Å; E37-H41 PolarHBondContact OE1-CE1 3Å; E37-H41 IonicContact OE1-ND1 3.43Å; E37-H41 PolarHBondContact OE1-ND1 3.19Å; E37-H41 IonicContact OE1-NE2 3.88Å; T38-H41 PolarHBondContact O-N 2.9Å; C39-H41 VanDerWaalsContact C-N 3.34Å; C39-H41 PolarHBondContact O-N 2.85Å; H41-L43 VanDerWaalsContact C-N 3.31Å; H41-L43 PolarHBondContact O-N 2.89Å; H41-L44 PolarHBondContact O-N 2.79Å; H41-E45 WeakPolarHBondContact O-CG 3.46Å; H41-E45 PolarHBondContact O-N 3.45Å |
| 42 | R | 94.9 | Very high | 93 | Very high | 148 Ų | 148 | 97 Ų | 97 | 56% | 0.558 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59.8 | -41.4 | 178.6 | -72.3 | -172.1 | -65.5 | 154.5 | -3.2 | 112.7 | T38 C39 E45 S46 | T38-R42 WeakPolarHBondContact O-CG 3.31Å; T38-R42 PolarHBondContact O-N 3.45Å; T38-R42 VanDerWaalsContact O-N 3.09Å; C39-R42 PolarHBondContact O-N 3.26Å; R42-E45 PolarHBondContact O-N 2.82Å; R42-S46 WeakPolarHBondContact O-CB 3.46Å; R42-S46 PolarHBondContact O-N 2.99Å; R42-S46 PolarHBondContact O-OG 3.14Å |
| 43 | L | 92.1 | Very high | 92.3 | Very high | 118 Ų | 118 | 94.6 Ų | 94.6 | 62% | 0.618 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.9 | -46.4 | 177.9 | -178.8 | 62.8 | 0 | 0 | 0 | 110.8 | C39 R40 H41 S46 | C39-L43 WeakPolarHBondContact O-CB 3.48Å; C39-L43 PolarHBondContact O-N 2.83Å; R40-L43 PolarHBondContact O-N 3.11Å; H41-L43 VanDerWaalsContact C-N 3.31Å; H41-L43 PolarHBondContact O-N 2.89Å; L43-S46 WeakPolarHBondContact O-CB 2.97Å; L43-S46 PolarHBondContact O-N 2.83Å |
| 44 | L | 89.1 | Confident | 91.8 | Very high | 77 Ų | 77 | 89.8 Ų | 89.8 | 40% | 0.403 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.8 | -43.1 | 177.2 | -71 | 174.8 | 0 | 0 | 0 | 111.4 | R40 H41 S46 I47 K52 | R40-L44 HydrophobicContact CG-CD1 4.22Å; R40-L44 WeakPolarHBondContact O-CG 3.31Å; R40-L44 PolarHBondContact O-N 3.43Å; H41-L44 PolarHBondContact O-N 2.79Å; L44-S46 PolarHBondContact O-N 3.21Å; L44-I47 HydrophobicContact CD2-CD1 4.3Å; L44-I47 PolarHBondContact O-N 3Å; L44-I47 VanDerWaalsContact O-N 3.13Å; L44-K52 WeakPolarHBondContact O-CE 3.29Å; L44-K52 PolarHBondContact O-NZ 3.42Å |
| 45 | E | 90.2 | Very high | 91.2 | Very high | 146 Ų | 146 | 90.6 Ų | 90.6 | 68% | 0.682 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -59.9 | -34.3 | 176.3 | -75.3 | 179.6 | 167.1 | 0 | 0 | 112.7 | H41 R42 I47 | H41-E45 WeakPolarHBondContact O-CG 3.46Å; H41-E45 PolarHBondContact O-N 3.45Å; R42-E45 PolarHBondContact O-N 2.82Å; E45-I47 PolarHBondContact O-N 2.67Å |
| 46 | S | 91.8 | Very high | 90.6 | Very high | 93 Ų | 93 | 88.3 Ų | 88.3 | 65% | 0.65 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -16 | 178.2 | -56.4 | 0 | 0 | 0 | 0 | 113.9 | R42 L43 L44 | R42-S46 WeakPolarHBondContact O-CB 3.46Å; R42-S46 PolarHBondContact O-N 2.99Å; R42-S46 PolarHBondContact O-OG 3.14Å; L43-S46 WeakPolarHBondContact O-CB 2.97Å; L43-S46 PolarHBondContact O-N 2.83Å; L44-S46 PolarHBondContact O-N 3.21Å |
| 47 | I | 89 | Confident | 90.1 | Very high | 44 Ų | 44 | 87.3 Ų | 87.3 | 23% | 0.226 | 46% | 0.459 | C | S | . | . | S | Bend | trans | -82.1 | 126.6 | 178.7 | -55.9 | 170.9 | 0 | 0 | 0 | 109.9 | L44 E45 I51 K52 | L44-I47 HydrophobicContact CD2-CD1 4.3Å; L44-I47 PolarHBondContact O-N 3Å; L44-I47 VanDerWaalsContact O-N 3.13Å; E45-I47 PolarHBondContact O-N 2.67Å; I47-I51 HydrophobicContact CG2-CB 3.82Å; I47-I51 HydrophobicContact CG2-CG2 3.78Å; I47-K52 HydrophobicContact CB-CG 3.94Å; I47-K52 HydrophobicContact CG2-CG 3.71Å; I47-K52 WeakPolarHBondContact O-CE 3.22Å; I47-K52 PolarHBondContact O-NZ 3.37Å |
| 48 | P | 90.1 | Very high | 89.7 | Confident | 61 Ų | 61 | 88.8 Ų | 88.8 | 40% | 0.396 | 47% | 0.47 | S | S | . | . | trans | -55.5 | 143.7 | 173.5 | -25.6 | 33.6 | 0 | 0 | 0 | 113.2 | H50 I51 K52 | P48-H50 VanDerWaalsContact C-N 3.32Å; P48-H50 VanDerWaalsContact CB-CE1 3.46Å; P48-H50 WeakPolarHBondContact CB-CE1 3.48Å; P48-H50 PolarHBondContact O-N 3.34Å; P48-I51 HydrophobicContact CB-CD1 4.28Å; P48-I51 HydrophobicContact CB-CG1 4.25Å; P48-I51 HydrophobicContact CG-CD1 3.98Å; P48-I51 HydrophobicContact CG-CG1 4.49Å; P48-I51 PolarHBondContact O-N 3Å; P48-I51 VanDerWaalsContact O-N 3.1Å; P48-K52 PolarHBondContact O-N 2.73Å | ||
| 49 | G | 85.7 | Confident | 89.3 | Confident | 55 Ų | 55 | 89.6 Ų | 89.6 | 57% | 0.567 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -56.4 | -37.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | K52 C53 | G49-K52 WeakPolarHBondContact O-CB 3.33Å; G49-K52 PolarHBondContact O-N 3.42Å; G49-C53 PolarHBondContact O-N 3.41Å; G49-C53 VanDerWaalsContact O-N 3.15Å |
| 50 | H | 85.8 | Confident | 88.6 | Confident | 128 Ų | 128 | 91.5 Ų | 91.5 | 59% | 0.593 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -67.6 | -41.3 | 177.6 | 57.9 | -85.9 | 0 | 0 | 0 | 111.9 | P48 K52 C53 D54 | P48-H50 VanDerWaalsContact C-N 3.32Å; P48-H50 VanDerWaalsContact CB-CE1 3.46Å; P48-H50 WeakPolarHBondContact CB-CE1 3.48Å; P48-H50 PolarHBondContact O-N 3.34Å; H50-K52 VanDerWaalsContact C-N 3.35Å; H50-K52 PolarHBondContact O-N 3.36Å; H50-C53 VanDerWaalsContact O-CB 3.25Å; H50-C53 WeakPolarHBondContact O-CB 3.46Å; H50-C53 PolarHBondContact O-N 2.81Å; H50-D54 PolarHBondContact O-N 3.49Å |
| 51 | I | 85.7 | Confident | 88.2 | Confident | 68 Ų | 68 | 89.6 Ų | 89.6 | 35% | 0.349 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.6 | -39.1 | 176.3 | -56.1 | -175.9 | 0 | 0 | 0 | 110.9 | I47 P48 C53 D54 I55 | I47-I51 HydrophobicContact CG2-CB 3.82Å; I47-I51 HydrophobicContact CG2-CG2 3.78Å; P48-I51 HydrophobicContact CB-CD1 4.28Å; P48-I51 HydrophobicContact CB-CG1 4.25Å; P48-I51 HydrophobicContact CG-CD1 3.98Å; P48-I51 HydrophobicContact CG-CG1 4.49Å; P48-I51 PolarHBondContact O-N 3Å; P48-I51 VanDerWaalsContact O-N 3.1Å; I51-C53 VanDerWaalsContact C-N 3.26Å; I51-C53 PolarHBondContact O-N 3.21Å; I51-D54 PolarHBondContact O-N 3.43Å; I51-I55 HydrophobicContact CG2-CD1 3.8Å; I51-I55 HydrophobicContact CG2-CG1 4.22Å; I51-I55 WeakPolarHBondContact O-CB 3.42Å; I51-I55 VanDerWaalsContact O-CG1 3.3Å; I51-I55 WeakPolarHBondContact O-CG1 3.45Å; I51-I55 PolarHBondContact O-N 3.19Å |
| 52 | K | 82.9 | Confident | 87.9 | Confident | 75 Ų | 75 | 90.6 Ų | 90.6 | 33% | 0.326 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -56.8 | -43.7 | 173.6 | -73.8 | 172.8 | 167.1 | 140.6 | 0 | 111.4 | L44 I47 P48 G49 H50 T56 | L44-K52 WeakPolarHBondContact O-CE 3.29Å; L44-K52 PolarHBondContact O-NZ 3.42Å; I47-K52 HydrophobicContact CB-CG 3.94Å; I47-K52 HydrophobicContact CG2-CG 3.71Å; I47-K52 WeakPolarHBondContact O-CE 3.22Å; I47-K52 PolarHBondContact O-NZ 3.37Å; P48-K52 PolarHBondContact O-N 2.73Å; G49-K52 WeakPolarHBondContact O-CB 3.33Å; G49-K52 PolarHBondContact O-N 3.42Å; H50-K52 VanDerWaalsContact C-N 3.35Å; H50-K52 PolarHBondContact O-N 3.36Å; K52-T56 VanDerWaalsContact O-CB 3.3Å; K52-T56 WeakPolarHBondContact O-CB 3.3Å; K52-T56 PolarHBondContact O-N 2.9Å; K52-T56 PolarHBondContact O-OG1 3.03Å |
| 53 | C | 83 | Confident | 87.5 | Confident | 60 Ų | 60 | 87.6 Ų | 87.6 | 41% | 0.405 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.9 | -52.3 | 176.6 | -159.6 | 0 | 0 | 0 | 0 | 110.3 | G49 H50 I51 I55 T56 H57 | G49-C53 PolarHBondContact O-N 3.41Å; G49-C53 VanDerWaalsContact O-N 3.15Å; H50-C53 VanDerWaalsContact O-CB 3.25Å; H50-C53 WeakPolarHBondContact O-CB 3.46Å; H50-C53 PolarHBondContact O-N 2.81Å; I51-C53 VanDerWaalsContact C-N 3.26Å; I51-C53 PolarHBondContact O-N 3.21Å; C53-I55 PolarHBondContact O-N 3.49Å; C53-T56 PolarHBondContact O-N 3.25Å; C53-T56 VanDerWaalsContact O-N 3.14Å; C53-H57 PolarHBondContact O-CD2 2.87Å; C53-H57 PolarHBondContact O-N 3.09Å; C53-H57 PolarHBondContact SG-CD2 3.21Å; C53-H57 PolarHBondContact SG-NE2 3.46Å |
| 54 | D | 87.4 | Confident | 87.2 | Confident | 91 Ų | 91 | 83.8 Ų | 83.8 | 49% | 0.487 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -59.3 | -44.6 | 179.8 | -65 | -22.8 | 0 | 0 | 0 | 112.4 | H50 I51 T56 H57 N58 | H50-D54 PolarHBondContact O-N 3.49Å; I51-D54 PolarHBondContact O-N 3.43Å; D54-T56 VanDerWaalsContact C-N 3.35Å; D54-H57 PolarHBondContact O-N 3Å; D54-N58 WeakPolarHBondContact O-CB 3.46Å; D54-N58 VanDerWaalsContact O-CG 3.32Å; D54-N58 PolarHBondContact O-N 2.79Å; D54-N58 PolarHBondContact O-ND2 3.36Å |
| 55 | I | 86.3 | Confident | 87.1 | Confident | 73 Ų | 73 | 86.6 Ų | 86.6 | 37% | 0.374 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.9 | -47.2 | 176.2 | -69.7 | 169.7 | 0 | 0 | 0 | 110.1 | I51 C53 H57 N58 I59 | I51-I55 HydrophobicContact CG2-CD1 3.8Å; I51-I55 HydrophobicContact CG2-CG1 4.22Å; I51-I55 WeakPolarHBondContact O-CB 3.42Å; I51-I55 VanDerWaalsContact O-CG1 3.3Å; I51-I55 WeakPolarHBondContact O-CG1 3.45Å; I51-I55 PolarHBondContact O-N 3.19Å; C53-I55 PolarHBondContact O-N 3.49Å; I55-H57 PolarHBondContact O-N 2.9Å; I55-N58 PolarHBondContact O-N 3.31Å; I55-I59 HydrophobicContact CG2-CD1 3.56Å; I55-I59 HydrophobicContact CG2-CG1 4.28Å; I55-I59 WeakPolarHBondContact O-CB 3.35Å; I55-I59 VanDerWaalsContact O-CG1 3.29Å; I55-I59 WeakPolarHBondContact O-CG1 3.13Å; I55-I59 PolarHBondContact O-N 3.28Å |
| 56 | T | 85.1 | Confident | 86.8 | Confident | 73 Ų | 73 | 82.7 Ų | 82.7 | 45% | 0.448 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.9 | -46.4 | -178.1 | -58.1 | 0 | 0 | 0 | 0 | 110.7 | K52 C53 D54 I59 I60 | K52-T56 VanDerWaalsContact O-CB 3.3Å; K52-T56 WeakPolarHBondContact O-CB 3.3Å; K52-T56 PolarHBondContact O-N 2.9Å; K52-T56 PolarHBondContact O-OG1 3.03Å; C53-T56 PolarHBondContact O-N 3.25Å; C53-T56 VanDerWaalsContact O-N 3.14Å; D54-T56 VanDerWaalsContact C-N 3.35Å; T56-I59 PolarHBondContact O-N 3.4Å; T56-I60 HydrophobicContact CG2-CD1 3.65Å; T56-I60 HydrophobicContact CG2-CG1 4.37Å; T56-I60 WeakPolarHBondContact O-CB 3.28Å; T56-I60 VanDerWaalsContact O-CG1 3.22Å; T56-I60 WeakPolarHBondContact O-CG1 3.22Å; T56-I60 PolarHBondContact O-N 3.06Å |
| 57 | H | 89.4 | Confident | 86.3 | Confident | 103 Ų | 103 | 85 Ų | 85 | 48% | 0.477 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60.5 | -48.2 | 175.2 | -74.2 | -63.1 | 0 | 0 | 0 | 112 | C53 D54 I55 I59 I60 D61 | C53-H57 PolarHBondContact O-CD2 2.87Å; C53-H57 PolarHBondContact O-N 3.09Å; C53-H57 PolarHBondContact SG-CD2 3.21Å; C53-H57 PolarHBondContact SG-NE2 3.46Å; D54-H57 PolarHBondContact O-N 3Å; I55-H57 PolarHBondContact O-N 2.9Å; H57-I59 VanDerWaalsContact C-N 3.33Å; H57-I59 PolarHBondContact O-N 2.96Å; H57-I60 PolarHBondContact O-N 2.88Å; H57-D61 VanDerWaalsContact O-CB 3.28Å; H57-D61 WeakPolarHBondContact O-CB 3.37Å; H57-D61 PolarHBondContact O-N 3.46Å |
| 58 | N | 88.1 | Confident | 85.7 | Confident | 108 Ų | 108 | 87.1 Ų | 87.1 | 58% | 0.578 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -60.2 | -41 | 178.9 | -79.2 | -55.8 | 0 | 0 | 0 | 112.9 | D54 I55 K62 | D54-N58 WeakPolarHBondContact O-CB 3.46Å; D54-N58 VanDerWaalsContact O-CG 3.32Å; D54-N58 PolarHBondContact O-N 2.79Å; D54-N58 PolarHBondContact O-ND2 3.36Å; I55-N58 PolarHBondContact O-N 3.31Å; N58-K62 VanDerWaalsContact O-CB 3.31Å; N58-K62 WeakPolarHBondContact O-CB 3.47Å; N58-K62 PolarHBondContact O-N 2.84Å |
| 59 | I | 88.7 | Confident | 84.5 | Confident | 94 Ų | 94 | 88.7 Ų | 88.7 | 48% | 0.482 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -68.2 | -47.5 | 177.6 | -69.1 | 172.3 | 0 | 0 | 0 | 110.3 | I55 T56 H57 D61 K62 L63 | I55-I59 HydrophobicContact CG2-CD1 3.56Å; I55-I59 HydrophobicContact CG2-CG1 4.28Å; I55-I59 WeakPolarHBondContact O-CB 3.35Å; I55-I59 VanDerWaalsContact O-CG1 3.29Å; I55-I59 WeakPolarHBondContact O-CG1 3.13Å; I55-I59 PolarHBondContact O-N 3.28Å; T56-I59 PolarHBondContact O-N 3.4Å; H57-I59 VanDerWaalsContact C-N 3.33Å; H57-I59 PolarHBondContact O-N 2.96Å; I59-D61 VanDerWaalsContact C-N 3.33Å; I59-D61 PolarHBondContact O-N 2.8Å; I59-K62 PolarHBondContact O-N 3.45Å; I59-L63 HydrophobicContact CG2-CD1 3.86Å; I59-L63 HydrophobicContact CG2-CG 4.28Å; I59-L63 WeakPolarHBondContact O-CB 3.43Å; I59-L63 VanDerWaalsContact O-CG 3.31Å; I59-L63 WeakPolarHBondContact O-CG 3.49Å; I59-L63 PolarHBondContact O-N 3.02Å |
| 60 | I | 85.4 | Confident | 83.5 | Confident | 98 Ų | 98 | 91.9 Ų | 91.9 | 50% | 0.503 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.1 | -45.1 | 178 | -71.1 | 171.2 | 0 | 0 | 0 | 110.4 | T56 H57 K62 L63 G64 | T56-I60 HydrophobicContact CG2-CD1 3.65Å; T56-I60 HydrophobicContact CG2-CG1 4.37Å; T56-I60 WeakPolarHBondContact O-CB 3.28Å; T56-I60 VanDerWaalsContact O-CG1 3.22Å; T56-I60 WeakPolarHBondContact O-CG1 3.22Å; T56-I60 PolarHBondContact O-N 3.06Å; H57-I60 PolarHBondContact O-N 2.88Å; I60-K62 VanDerWaalsContact C-N 3.33Å; I60-K62 PolarHBondContact O-N 2.96Å; I60-L63 PolarHBondContact O-N 3.05Å; I60-G64 PolarHBondContact O-N 2.95Å |
| 61 | D | 86 | Confident | 82.2 | Confident | 81 Ų | 81 | 92 Ų | 92 | 43% | 0.433 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.8 | -41.4 | 178.3 | -73.8 | -11.6 | 0 | 0 | 0 | 111.4 | H57 I59 G64 R65 | H57-D61 VanDerWaalsContact O-CB 3.28Å; H57-D61 WeakPolarHBondContact O-CB 3.37Å; H57-D61 PolarHBondContact O-N 3.46Å; I59-D61 VanDerWaalsContact C-N 3.33Å; I59-D61 PolarHBondContact O-N 2.8Å; D61-G64 PolarHBondContact O-N 2.86Å; D61-R65 WeakPolarHBondContact O-CG 2.74Å; D61-R65 PolarHBondContact O-N 3.26Å |
| 62 | K | 88.9 | Confident | 80.9 | Confident | 109 Ų | 109 | 95.3 Ų | 95.3 | 47% | 0.474 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.5 | -49.1 | 175.9 | -174.8 | 179.6 | -179.3 | -64.6 | 0 | 111.2 | N58 I59 I60 G64 R65 D66 | N58-K62 VanDerWaalsContact O-CB 3.31Å; N58-K62 WeakPolarHBondContact O-CB 3.47Å; N58-K62 PolarHBondContact O-N 2.84Å; I59-K62 PolarHBondContact O-N 3.45Å; I60-K62 VanDerWaalsContact C-N 3.33Å; I60-K62 PolarHBondContact O-N 2.96Å; K62-G64 VanDerWaalsContact C-N 3.3Å; K62-G64 PolarHBondContact O-N 3Å; K62-R65 PolarHBondContact O-N 3.25Å; K62-R65 VanDerWaalsContact O-N 3.14Å; K62-D66 IonicContact NZ-OD1 2.7Å; K62-D66 IonicContact NZ-OD2 2.76Å; K62-D66 PolarHBondContact NZ-OD2 2.98Å; K62-D66 WeakPolarHBondContact O-CB 3.35Å; K62-D66 PolarHBondContact O-N 3.03Å |
| 63 | L | 86 | Confident | 79.5 | Confident | 84 Ų | 84 | 99.2 Ų | 99.2 | 44% | 0.44 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -57.9 | -45.2 | 176.7 | -71.8 | 173.3 | 0 | 0 | 0 | 110.8 | I59 I60 R65 D66 F67 | I59-L63 HydrophobicContact CG2-CD1 3.86Å; I59-L63 HydrophobicContact CG2-CG 4.28Å; I59-L63 WeakPolarHBondContact O-CB 3.43Å; I59-L63 VanDerWaalsContact O-CG 3.31Å; I59-L63 WeakPolarHBondContact O-CG 3.49Å; I59-L63 PolarHBondContact O-N 3.02Å; I60-L63 PolarHBondContact O-N 3.05Å; L63-R65 VanDerWaalsContact C-N 3.31Å; L63-R65 PolarHBondContact O-N 2.82Å; L63-D66 PolarHBondContact O-N 3.46Å; L63-F67 HydrophobicContact CB-CD2 4.48Å; L63-F67 HydrophobicContact CB-CE2 4.21Å; L63-F67 HydrophobicContact CD2-CE2 4.44Å; L63-F67 WeakPolarHBondContact O-CD2 3.3Å; L63-F67 PolarHBondContact O-N 2.89Å |
| 64 | G | 85.8 | Confident | 77.9 | Confident | 38 Ų | 38 | 102.3 Ų | 102.3 | 39% | 0.392 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -57.3 | -42.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I60 D61 K62 V68 | I60-G64 PolarHBondContact O-N 2.95Å; D61-G64 PolarHBondContact O-N 2.86Å; K62-G64 VanDerWaalsContact C-N 3.3Å; K62-G64 PolarHBondContact O-N 3Å; G64-V68 WeakPolarHBondContact O-CG2 3.46Å; G64-V68 PolarHBondContact O-N 3.3Å |
| 65 | R | 87.2 | Confident | 76.1 | Confident | 136 Ų | 136 | 103.6 Ų | 103.6 | 51% | 0.513 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -68.4 | -42.4 | 175 | -71.2 | -172 | -58.4 | -92.5 | 1.3 | 112.9 | D61 K62 L63 F67 V68 N69 | D61-R65 WeakPolarHBondContact O-CG 2.74Å; D61-R65 PolarHBondContact O-N 3.26Å; K62-R65 PolarHBondContact O-N 3.25Å; K62-R65 VanDerWaalsContact O-N 3.14Å; L63-R65 VanDerWaalsContact C-N 3.31Å; L63-R65 PolarHBondContact O-N 2.82Å; R65-F67 VanDerWaalsContact C-N 3.31Å; R65-F67 PolarHBondContact O-N 3.13Å; R65-V68 PolarHBondContact O-N 2.82Å; R65-N69 WeakPolarHBondContact O-CB 3.25Å; R65-N69 PolarHBondContact O-N 2.89Å; R65-N69 PolarHBondContact O-ND2 3.39Å |
| 66 | D | 85.2 | Confident | 73.9 | Confident | 64 Ų | 64 | 106.1 Ų | 106.1 | 34% | 0.342 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -59.3 | -44 | -180 | -67.9 | -13.8 | 0 | 0 | 0 | 109.9 | K62 L63 D70 | K62-D66 IonicContact NZ-OD1 2.7Å; K62-D66 IonicContact NZ-OD2 2.76Å; K62-D66 PolarHBondContact NZ-OD2 2.98Å; K62-D66 WeakPolarHBondContact O-CB 3.35Å; K62-D66 PolarHBondContact O-N 3.03Å; L63-D66 PolarHBondContact O-N 3.46Å; D66-D70 PolarHBondContact O-N 3.1Å |
| 67 | F | 79.6 | Confident | 71.9 | Confident | 143 Ų | 143 | 108 Ų | 108 | 63% | 0.627 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -71.3 | -28.3 | 176.6 | -68.4 | -63.3 | 0 | 0 | 0 | 114.8 | L63 R65 | L63-F67 HydrophobicContact CB-CD2 4.48Å; L63-F67 HydrophobicContact CB-CE2 4.21Å; L63-F67 HydrophobicContact CD2-CE2 4.44Å; L63-F67 WeakPolarHBondContact O-CD2 3.3Å; L63-F67 PolarHBondContact O-N 2.89Å; R65-F67 VanDerWaalsContact C-N 3.31Å; R65-F67 PolarHBondContact O-N 3.13Å |
| 68 | V | 77.1 | Confident | 69.5 | Low | 87 Ų | 87 | 108 Ų | 108 | 53% | 0.527 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -75.7 | -38 | 177.4 | 169.6 | 0 | 0 | 0 | 0 | 111.2 | G64 R65 D70 N71 | G64-V68 WeakPolarHBondContact O-CG2 3.46Å; G64-V68 PolarHBondContact O-N 3.3Å; R65-V68 PolarHBondContact O-N 2.82Å; V68-D70 VanDerWaalsContact C-N 3.34Å; V68-D70 PolarHBondContact O-N 3.22Å; V68-N71 PolarHBondContact O-N 3.42Å |
| 69 | N | 65.4 | Low | 67.2 | Low | 95 Ų | 95 | 109.8 Ų | 109.8 | 51% | 0.508 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -70.8 | -29.7 | -176.3 | -68.5 | -23.9 | 0 | 0 | 0 | 112.6 | R65 N71 Q72 | R65-N69 WeakPolarHBondContact O-CB 3.25Å; R65-N69 PolarHBondContact O-N 2.89Å; R65-N69 PolarHBondContact O-ND2 3.39Å; N69-N71 PolarHBondContact O-N 3.26Å; N69-Q72 PolarHBondContact O-N 3.14Å; N69-Q72 VanDerWaalsContact O-N 3.12Å |
| 70 | D | 63.7 | Low | 64.9 | Low | 122 Ų | 122 | 112.4 Ų | 112.4 | 65% | 0.652 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -62.5 | -28.9 | 175.4 | -72.4 | -23.4 | 0 | 0 | 0 | 112.5 | D66 V68 Q72 | D66-D70 PolarHBondContact O-N 3.1Å; V68-D70 VanDerWaalsContact C-N 3.34Å; V68-D70 PolarHBondContact O-N 3.22Å; D70-Q72 VanDerWaalsContact C-N 3.35Å |
| 71 | N | 59.1 | Low | 62.8 | Low | 129 Ų | 129 | 115.2 Ų | 115.2 | 69% | 0.69 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -8.4 | 177.6 | -70.2 | -28.5 | 0 | 0 | 0 | 114.1 | V68 N69 | V68-N71 PolarHBondContact O-N 3.42Å; N69-N71 PolarHBondContact O-N 3.26Å |
| 72 | Q | 58 | Low | 60.4 | Low | 139 Ų | 139 | 117.3 Ų | 117.3 | 65% | 0.65 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | -9.9 | 178.2 | -82.4 | -164.9 | 42.4 | 0 | 0 | 114.2 | N69 D70 T74 | N69-Q72 PolarHBondContact O-N 3.14Å; N69-Q72 VanDerWaalsContact O-N 3.12Å; D70-Q72 VanDerWaalsContact C-N 3.35Å; Q72-T74 PolarHBondContact O-N 2.96Å; Q72-T74 VanDerWaalsContact O-N 3.1Å |
| 73 | L | 53.3 | Low | 57.8 | Low | 157 Ų | 157 | 116.9 Ų | 116.9 | 82% | 0.822 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | 3.6 | -177.5 | -159.2 | 60.2 | 0 | 0 | 0 | 114.3 | ||
| 74 | T | 50.7 | Low | 55.4 | Low | 125 Ų | 125 | 119 Ų | 119 | 77% | 0.767 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.2 | 5.1 | 178.7 | 53.8 | 0 | 0 | 0 | 0 | 116 | Q72 | Q72-T74 PolarHBondContact O-N 2.96Å; Q72-T74 VanDerWaalsContact O-N 3.1Å |
| 75 | T | 48.5 | Very low | 53 | Low | 118 Ų | 118 | 122.6 Ų | 122.6 | 72% | 0.724 | 68% | 0.682 | S | S | * | * | trans | -115.8 | 56.4 | 179.6 | 7.7 | 0 | 0 | 0 | 0 | 112.6 | T77 | T75-T77 PolarHBondContact O-N 3.4Š| ||
| 76 | T | 41.5 | Very low | 50.7 | Low | 126 Ų | 126 | 122.3 Ų | 122.3 | 77% | 0.773 | 69% | 0.691 | S | S | * | * | trans | -67.8 | 122.5 | 154.7 | -39.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 77 | T | 42.3 | Very low | 48.5 | Very low | 113 Ų | 113 | 129.9 Ų | 129.9 | 69% | 0.693 | 72% | 0.721 | S | S | * | * | trans | 91.9 | 97.8 | 165.2 | -29.9 | 0 | 0 | 0 | 0 | 116.7 | T75 | T75-T77 PolarHBondContact O-N 3.4Š| ||
| 78 | S | 38.5 | Very low | 46.5 | Very low | 101 Ų | 101 | 128.7 Ų | 128.7 | 71% | 0.706 | 73% | 0.725 | S | S | * | * | 171.3 | 103.8 | 113.6 | -75.9 | 0 | 0 | 0 | 0 | 112 | |||||
| 79 | N | 40.4 | Very low | 44.7 | Very low | 146 Ų | 146 | 130.8 Ų | 130.8 | 78% | 0.781 | 73% | 0.734 | S | S | * | * | trans | 50.2 | 111.9 | 135.2 | -57.6 | -13.1 | 0 | 0 | 0 | 120.2 | ||||
| 80 | N | 39.5 | Very low | 43.5 | Very low | 149 Ų | 149 | 136 Ų | 136 | 80% | 0.797 | 75% | 0.748 | S | S | * | * | trans | 21.5 | 121.1 | 132.7 | -64.9 | -15.2 | 0 | 0 | 0 | 117 | ||||
| 81 | I | 42 | Very low | 42.5 | Very low | 158 Ų | 158 | 137 Ų | 137 | 81% | 0.81 | 75% | 0.754 | S | S | * | * | 173.5 | 110.6 | 122.3 | -85.7 | 152.2 | 0 | 0 | 0 | 108.9 | |||||
| 82 | T | 35 | Very low | 41.9 | Very low | 124 Ų | 124 | 137.3 Ų | 137.3 | 76% | 0.761 | 75% | 0.751 | S | S | * | * | trans | 63.3 | 109 | 137.3 | -39.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 83 | S | 34.4 | Very low | 41.3 | Very low | 100 Ų | 100 | 138 Ų | 138 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | trans | -2.1 | 126 | 144.1 | -52.6 | 0 | 0 | 0 | 0 | 117 | ||||
| 84 | T | 35.4 | Very low | 41.1 | Very low | 128 Ų | 128 | 136 Ų | 136 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | 165.8 | 141.9 | 107.6 | 40 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 85 | T | 36.9 | Very low | 41.3 | Very low | 114 Ų | 114 | 136.2 Ų | 136.2 | 70% | 0.699 | 75% | 0.749 | S | S | * | * | S | Bend | trans | 74.7 | 119.9 | 158.6 | 2.4 | 0 | 0 | 0 | 0 | 118.2 | ||
| 86 | D | 37.9 | Very low | 41.2 | Very low | 131 Ų | 131 | 139.1 Ų | 139.1 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | trans | 73 | 103 | 154.3 | -51.3 | -31.2 | 0 | 0 | 0 | 117 | T88 | D86-T88 VanDerWaalsContact C-N 3.34Å; D86-T88 PolarHBondContact O-N 3.49Å | ||
| 87 | K | 39.7 | Very low | 41.5 | Very low | 222 Ų | 222 | 140.6 Ų | 140.6 | 97% | 0.965 | 76% | 0.757 | S | S | * | * | trans | -47.5 | 96 | 167.8 | -81.3 | 176.2 | 172.6 | 170 | 0 | 109.6 | ||||
| 88 | T | 37.3 | Very low | 42.1 | Very low | 118 Ų | 118 | 143.6 Ų | 143.6 | 72% | 0.724 | 76% | 0.76 | S | S | * | * | trans | -75.4 | 137.4 | 177.2 | 41.4 | 0 | 0 | 0 | 0 | 110.4 | D86 | D86-T88 VanDerWaalsContact C-N 3.34Å; D86-T88 PolarHBondContact O-N 3.49Å | ||
| 89 | N | 38.5 | Very low | 42.4 | Very low | 132 Ų | 132 | 146.4 Ų | 146.4 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | trans | 53.4 | 78.6 | 145.5 | -64.9 | -4.6 | 0 | 0 | 0 | 117 | N91 | N89-N91 PolarHBondContact O-N 2.93Š| ||
| 90 | Y | 41.6 | Very low | 43.3 | Very low | 203 Ų | 203 | 148 Ų | 148 | 80% | 0.796 | 78% | 0.782 | S | S | * | * | trans | -64.4 | 90.1 | 149.1 | -167.1 | -99.7 | 0 | 0 | 0 | 107.9 | Q92 | Y90-Q92 VanDerWaalsContact C-N 3.31Å; Y90-Q92 HydrophobicContact CD1-CG 3.44Å; Y90-Q92 VanDerWaalsContact CD1-CG 3.44Å; Y90-Q92 HydrophobicContact CE1-CG 3.73Å; Y90-Q92 PolarHBondContact O-N 3.06Å | ||
| 91 | N | 42 | Very low | 43.5 | Very low | 145 Ų | 145 | 148 Ų | 148 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | trans | -61.1 | 92.8 | 172.5 | -91.8 | -25 | 0 | 0 | 0 | 108.7 | N89 N93 | N89-N91 PolarHBondContact O-N 2.93Å; N91-N93 VanDerWaalsContact C-N 3.3Å; N91-N93 PolarHBondContact O-N 2.88Å | ||
| 92 | Q | 46 | Very low | 43.5 | Very low | 134 Ų | 134 | 147.4 Ų | 147.4 | 63% | 0.626 | 78% | 0.779 | S | S | * | * | trans | -71.8 | 83.4 | 172.8 | -71.7 | -155.1 | -20.3 | 0 | 0 | 110 | Y90 I94 | Y90-Q92 VanDerWaalsContact C-N 3.31Å; Y90-Q92 HydrophobicContact CD1-CG 3.44Å; Y90-Q92 VanDerWaalsContact CD1-CG 3.44Å; Y90-Q92 HydrophobicContact CE1-CG 3.73Å; Y90-Q92 PolarHBondContact O-N 3.06Å; Q92-I94 HydrophobicContact CB-CD1 4.32Å; Q92-I94 HydrophobicContact CB-CG1 4.18Å; Q92-I94 HydrophobicContact CG-CD1 4.47Å; Q92-I94 PolarHBondContact O-N 2.7Å | ||
| 93 | N | 46.7 | Very low | 44 | Very low | 155 Ų | 155 | 148.7 Ų | 148.7 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | trans | -80.3 | 65.6 | 159.4 | -122.9 | -25.6 | 0 | 0 | 0 | 108.2 | N91 T95 | N91-N93 VanDerWaalsContact C-N 3.3Å; N91-N93 PolarHBondContact O-N 2.88Å; N93-T95 VanDerWaalsContact C-N 3.3Å; N93-T95 PolarHBondContact O-N 3.03Å | ||
| 94 | I | 48.7 | Very low | 44.6 | Very low | 114 Ų | 114 | 151.6 Ų | 151.6 | 59% | 0.585 | 79% | 0.785 | S | S | * | * | trans | -73.2 | 94.8 | 169.6 | -63.4 | 172.9 | 0 | 0 | 0 | 105.7 | Q92 Q96 | Q92-I94 HydrophobicContact CB-CD1 4.32Å; Q92-I94 HydrophobicContact CB-CG1 4.18Å; Q92-I94 HydrophobicContact CG-CD1 4.47Å; Q92-I94 PolarHBondContact O-N 2.7Å; I94-Q96 PolarHBondContact O-N 2.79Å | ||
| 95 | T | 54.2 | Low | 45.2 | Very low | 130 Ų | 130 | 153.1 Ų | 153.1 | 80% | 0.798 | 79% | 0.785 | S | S | * | * | trans | -60.7 | 106.8 | 166 | -10.1 | 0 | 0 | 0 | 0 | 106.2 | N93 L97 | N93-T95 VanDerWaalsContact C-N 3.3Å; N93-T95 PolarHBondContact O-N 3.03Å; T95-L97 PolarHBondContact O-N 3.15Å | ||
| 96 | Q | 46.7 | Very low | 45.7 | Very low | 179 Ų | 179 | 155.7 Ų | 155.7 | 84% | 0.836 | 79% | 0.791 | S | S | * | * | trans | -59.5 | 100.6 | 177.2 | -71.7 | 177.2 | -19.4 | 0 | 0 | 108.5 | I94 K98 | I94-Q96 PolarHBondContact O-N 2.79Å; Q96-K98 VanDerWaalsContact C-N 3.3Å; Q96-K98 PolarHBondContact O-N 3.17Å | ||
| 97 | L | 48.8 | Very low | 46.3 | Very low | 156 Ų | 156 | 157.4 Ų | 157.4 | 82% | 0.817 | 80% | 0.797 | S | S | * | * | trans | -70.8 | 93.9 | 168.2 | -167 | 76.6 | 0 | 0 | 0 | 106.9 | T95 L99 | T95-L97 PolarHBondContact O-N 3.15Å; L97-L99 PolarHBondContact O-N 3.48Å | ||
| 98 | K | 53.5 | Low | 46.8 | Very low | 177 Ų | 177 | 152.5 Ų | 152.5 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | trans | -68.1 | 100.1 | 173.3 | -173.1 | 178.5 | -178.4 | -180 | 0 | 108.1 | Q96 T100 | Q96-K98 VanDerWaalsContact C-N 3.3Å; Q96-K98 PolarHBondContact O-N 3.17Å; K98-T100 VanDerWaalsContact C-N 3.33Å; K98-T100 PolarHBondContact O-N 3.3Å | ||
| 99 | L | 46.2 | Very low | 47.6 | Very low | 159 Ų | 159 | 155.3 Ų | 155.3 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | -68.8 | 93.4 | 162.4 | -71.8 | 156.5 | 0 | 0 | 0 | 107.2 | L97 | L97-L99 PolarHBondContact O-N 3.48Š| ||
| 100 | T | 57.8 | Low | 48.4 | Very low | 180 Ų | 180 | 157.5 Ų | 157.5 | 100% | 1.104 | 80% | 0.797 | S | S | * | * | trans | -77.6 | 0 | 150.8 | 40.9 | 0 | 0 | 0 | 0 | 108.7 | K98 | K98-T100 VanDerWaalsContact C-N 3.33Å; K98-T100 PolarHBondContact O-N 3.3Å |
Retrieved 100 of 100 residues in 27.2 ms
(Link to these results)