| 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 | 59.4 | Low | 78.4 | Confident | 191 Ų | 191 | 120.4 Ų | 120.4 | 94% | 0.941 | 60% | 0.603 | S | S | * | * | 0 | -47.8 | 0 | -148 | 127.6 | 109.2 | 0 | 0 | 112.3 | I3 I4 | M1-I3 VanDerWaalsContact C-N 3.33Å; M1-I3 PolarHBondContact O-N 3.39Å; M1-I4 PolarHBondContact O-N 3.3Å | |||
| 2 | L | 77.8 | Confident | 78.1 | Confident | 142 Ų | 142 | 114.5 Ų | 114.5 | 74% | 0.743 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -57 | -32.6 | -178 | -63.5 | 172.1 | 0 | 0 | 0 | 116.5 | N6 | L2-N6 PolarHBondContact O-N 3.04Å |
| 3 | I | 84.9 | Confident | 77.8 | Confident | 133 Ų | 133 | 114.7 Ų | 114.7 | 68% | 0.682 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -68.1 | -40.1 | -179.4 | -63.6 | 172.4 | 0 | 0 | 0 | 111.3 | M1 N6 I7 | M1-I3 VanDerWaalsContact C-N 3.33Å; M1-I3 PolarHBondContact O-N 3.39Å; I3-N6 PolarHBondContact O-N 3.19Å; I3-I7 HydrophobicContact CG2-CD1 3.87Å; I3-I7 HydrophobicContact CG2-CG1 4.49Å; I3-I7 VanDerWaalsContact O-CG1 3.32Å; I3-I7 WeakPolarHBondContact O-CG1 3.47Å; I3-I7 PolarHBondContact O-N 3.25Å |
| 4 | I | 82.8 | Confident | 77.6 | Confident | 114 Ų | 114 | 113.4 Ų | 113.4 | 59% | 0.585 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -68.3 | -42.1 | -177.7 | -61.1 | 176.5 | 0 | 0 | 0 | 109.9 | M1 N6 I7 M8 | M1-I4 PolarHBondContact O-N 3.3Å; I4-N6 VanDerWaalsContact C-N 3.33Å; I4-N6 PolarHBondContact O-N 3.49Å; I4-I7 PolarHBondContact O-N 3.01Å; I4-M8 HydrophobicContact CG2-CG 4.44Å; I4-M8 WeakPolarHBondContact O-CG 3.32Å; I4-M8 PolarHBondContact O-N 3.45Å |
| 5 | E | 81.5 | Confident | 77.4 | Confident | 99 Ų | 99 | 112.5 Ų | 112.5 | 46% | 0.463 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -60.2 | -41.6 | 176.5 | -69 | 170.5 | 177.1 | 0 | 0 | 112 | M8 L9 | E5-M8 PolarHBondContact O-N 2.97Å; E5-L9 WeakPolarHBondContact O-CB 3.45Å; E5-L9 PolarHBondContact O-N 3.44Å |
| 6 | N | 79.7 | Confident | 76.9 | Confident | 88 Ų | 88 | 110.8 Ų | 110.8 | 47% | 0.471 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -68.3 | -38.2 | 178 | -161.8 | -23.7 | 0 | 0 | 0 | 112 | L2 I3 I4 L9 K10 | L2-N6 PolarHBondContact O-N 3.04Å; I3-N6 PolarHBondContact O-N 3.19Å; I4-N6 VanDerWaalsContact C-N 3.33Å; I4-N6 PolarHBondContact O-N 3.49Å; N6-L9 PolarHBondContact O-N 3.24Å; N6-K10 WeakPolarHBondContact O-CG 3.42Å; N6-K10 PolarHBondContact O-N 3.25Å; N6-K10 WeakPolarHBondContact OD1-CE 3.48Å |
| 7 | I | 81.9 | Confident | 76.7 | Confident | 93 Ų | 93 | 108.9 Ų | 108.9 | 48% | 0.477 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63.6 | -44.6 | 173.7 | -67.4 | 168.3 | 0 | 0 | 0 | 110.3 | I3 I4 L9 K10 L11 | I3-I7 HydrophobicContact CG2-CD1 3.87Å; I3-I7 HydrophobicContact CG2-CG1 4.49Å; I3-I7 VanDerWaalsContact O-CG1 3.32Å; I3-I7 WeakPolarHBondContact O-CG1 3.47Å; I3-I7 PolarHBondContact O-N 3.25Å; I4-I7 PolarHBondContact O-N 3.01Å; I7-L9 PolarHBondContact O-N 2.92Å; I7-K10 PolarHBondContact O-N 3.42Å; I7-L11 HydrophobicContact CG2-CD1 3.93Å; I7-L11 HydrophobicContact CG2-CG 4.35Å; I7-L11 WeakPolarHBondContact O-CG 3.35Å; I7-L11 PolarHBondContact O-N 3.22Å |
| 8 | M | 79.3 | Confident | 76.2 | Confident | 121 Ų | 121 | 109.6 Ų | 109.6 | 60% | 0.596 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -61.9 | -42.7 | 177.2 | -71.3 | -61.6 | -147.6 | 0 | 0 | 112.2 | I4 E5 K10 L11 A12 | I4-M8 HydrophobicContact CG2-CG 4.44Å; I4-M8 WeakPolarHBondContact O-CG 3.32Å; I4-M8 PolarHBondContact O-N 3.45Å; E5-M8 PolarHBondContact O-N 2.97Å; M8-K10 PolarHBondContact O-N 3.35Å; M8-L11 PolarHBondContact O-N 3.13Å; M8-A12 WeakPolarHBondContact O-CB 3.39Å; M8-A12 PolarHBondContact O-N 3.33Å |
| 9 | L | 78.1 | Confident | 75.6 | Confident | 123 Ų | 123 | 110.9 Ų | 110.9 | 64% | 0.644 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -61.5 | -42.2 | 174.7 | -85.4 | 157.4 | 0 | 0 | 0 | 112.2 | E5 N6 I7 H13 | E5-L9 WeakPolarHBondContact O-CB 3.45Å; E5-L9 PolarHBondContact O-N 3.44Å; N6-L9 PolarHBondContact O-N 3.24Å; I7-L9 PolarHBondContact O-N 2.92Å; L9-H13 WeakPolarHBondContact O-CB 3.4Å; L9-H13 PolarHBondContact O-N 3.48Å |
| 10 | K | 80.6 | Confident | 75 | Confident | 133 Ų | 133 | 108.5 Ų | 108.5 | 58% | 0.578 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -67.4 | -40.7 | 176.8 | -75.1 | -177.1 | 179.6 | -175 | 0 | 112.3 | N6 I7 M8 H13 I14 | N6-K10 WeakPolarHBondContact O-CG 3.42Å; N6-K10 PolarHBondContact O-N 3.25Å; N6-K10 WeakPolarHBondContact OD1-CE 3.48Å; I7-K10 PolarHBondContact O-N 3.42Å; M8-K10 PolarHBondContact O-N 3.35Å; K10-H13 PolarHBondContact O-N 2.91Å; K10-I14 WeakPolarHBondContact O-CD1 3.37Å; K10-I14 VanDerWaalsContact O-CG1 3.22Å; K10-I14 WeakPolarHBondContact O-CG1 3.22Å; K10-I14 PolarHBondContact O-N 2.79Å |
| 11 | L | 76.6 | Confident | 74.5 | Confident | 87 Ų | 87 | 108 Ų | 108 | 46% | 0.455 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61.7 | -47.4 | 175.2 | -74.1 | 170.4 | 0 | 0 | 0 | 111 | I7 M8 H13 I14 D15 | I7-L11 HydrophobicContact CG2-CD1 3.93Å; I7-L11 HydrophobicContact CG2-CG 4.35Å; I7-L11 WeakPolarHBondContact O-CG 3.35Å; I7-L11 PolarHBondContact O-N 3.22Å; M8-L11 PolarHBondContact O-N 3.13Å; L11-H13 VanDerWaalsContact C-N 3.29Å; L11-H13 PolarHBondContact O-N 2.92Å; L11-I14 PolarHBondContact O-N 3.27Å; L11-I14 VanDerWaalsContact O-N 3.13Å; L11-D15 PolarHBondContact O-N 3.03Å |
| 12 | A | 74.7 | Confident | 74.5 | Confident | 50 Ų | 50 | 104.3 Ų | 104.3 | 41% | 0.413 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59.6 | -39.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | M8 D15 C16 | M8-A12 WeakPolarHBondContact O-CB 3.39Å; M8-A12 PolarHBondContact O-N 3.33Å; A12-D15 PolarHBondContact O-N 2.9Å; A12-C16 PolarHBondContact O-N 3.36Å; A12-C16 PolarHBondContact O-SG 2.88Å |
| 13 | H | 74.1 | Confident | 73.6 | Confident | 117 Ų | 117 | 100.7 Ų | 100.7 | 54% | 0.542 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -69 | -36.5 | 176.8 | -167.1 | -82 | 0 | 0 | 0 | 112.5 | L9 K10 L11 N17 | L9-H13 WeakPolarHBondContact O-CB 3.4Å; L9-H13 PolarHBondContact O-N 3.48Å; K10-H13 PolarHBondContact O-N 2.91Å; L11-H13 VanDerWaalsContact C-N 3.29Å; L11-H13 PolarHBondContact O-N 2.92Å; H13-N17 PolarHBondContact CE1-ND2 3.49Å; H13-N17 VanDerWaalsContact CE1-ND2 3.3Å; H13-N17 PolarHBondContact ND1-ND2 3.3Å; H13-N17 WeakPolarHBondContact O-CB 3.19Å; H13-N17 PolarHBondContact O-N 3.32Å |
| 14 | I | 75.2 | Confident | 72.3 | Confident | 96 Ų | 96 | 99.8 Ų | 99.8 | 49% | 0.492 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.4 | -45.5 | 173.4 | -68.5 | 161.5 | 0 | 0 | 0 | 109.7 | K10 L11 C16 N17 Q18 | K10-I14 WeakPolarHBondContact O-CD1 3.37Å; K10-I14 VanDerWaalsContact O-CG1 3.22Å; K10-I14 WeakPolarHBondContact O-CG1 3.22Å; K10-I14 PolarHBondContact O-N 2.79Å; L11-I14 PolarHBondContact O-N 3.27Å; L11-I14 VanDerWaalsContact O-N 3.13Å; I14-C16 PolarHBondContact O-N 3.43Å; I14-N17 PolarHBondContact O-N 3.42Å; I14-Q18 VanDerWaalsContact O-CB 3.31Å; I14-Q18 WeakPolarHBondContact O-CB 3.39Å; I14-Q18 PolarHBondContact O-N 2.97Å |
| 15 | D | 74.7 | Confident | 71.3 | Confident | 101 Ų | 101 | 101.4 Ų | 101.4 | 54% | 0.54 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.1 | -44.3 | 178.7 | -72.6 | -19.9 | 0 | 0 | 0 | 111.9 | L11 A12 Q18 L19 | L11-D15 PolarHBondContact O-N 3.03Å; A12-D15 PolarHBondContact O-N 2.9Å; D15-Q18 PolarHBondContact O-N 2.93Å; D15-L19 WeakPolarHBondContact O-CB 3.34Å; D15-L19 PolarHBondContact O-N 2.86Å |
| 16 | C | 70 | Confident | 70.2 | Confident | 85 Ų | 85 | 102.8 Ų | 102.8 | 57% | 0.574 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.4 | -43.6 | 175.6 | -75.5 | 0 | 0 | 0 | 0 | 112.3 | A12 I14 Q18 L19 C20 | A12-C16 PolarHBondContact O-N 3.36Å; A12-C16 PolarHBondContact O-SG 2.88Å; I14-C16 PolarHBondContact O-N 3.43Å; C16-Q18 VanDerWaalsContact C-N 3.34Å; C16-L19 PolarHBondContact O-N 3.45Å; C16-C20 WeakPolarHBondContact O-CB 3.48Å; C16-C20 PolarHBondContact O-N 2.8Å |
| 17 | N | 72.9 | Confident | 68.8 | Low | 79 Ų | 79 | 101.8 Ų | 101.8 | 42% | 0.422 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.6 | -38.4 | 176.8 | -81.1 | -4.6 | 0 | 0 | 0 | 111.5 | H13 I14 C20 I21 | H13-N17 PolarHBondContact CE1-ND2 3.49Å; H13-N17 VanDerWaalsContact CE1-ND2 3.3Å; H13-N17 PolarHBondContact ND1-ND2 3.3Å; H13-N17 WeakPolarHBondContact O-CB 3.19Å; H13-N17 PolarHBondContact O-N 3.32Å; I14-N17 PolarHBondContact O-N 3.42Å; N17-C20 PolarHBondContact O-N 2.97Å; N17-I21 WeakPolarHBondContact O-CB 3.49Å; N17-I21 WeakPolarHBondContact O-CG1 3.32Å; N17-I21 PolarHBondContact O-N 2.91Å |
| 18 | Q | 68.2 | Low | 67.4 | Low | 121 Ų | 121 | 102.5 Ų | 102.5 | 57% | 0.565 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -67.4 | -39.3 | 176.6 | -165.6 | 167.6 | 1.7 | 0 | 0 | 110.9 | I14 D15 C16 C20 I21 H22 | I14-Q18 VanDerWaalsContact O-CB 3.31Å; I14-Q18 WeakPolarHBondContact O-CB 3.39Å; I14-Q18 PolarHBondContact O-N 2.97Å; D15-Q18 PolarHBondContact O-N 2.93Å; C16-Q18 VanDerWaalsContact C-N 3.34Å; Q18-C20 VanDerWaalsContact C-N 3.32Å; Q18-C20 PolarHBondContact O-N 3.23Å; Q18-I21 PolarHBondContact O-N 2.65Å; Q18-H22 WeakPolarHBondContact O-CB 3.31Å; Q18-H22 PolarHBondContact O-N 3.23Å |
| 19 | L | 64.7 | Low | 66 | Low | 134 Ų | 134 | 101.9 Ų | 101.9 | 70% | 0.702 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -62.9 | -40 | 172.9 | -146.9 | 98 | 0 | 0 | 0 | 111.4 | D15 C16 S23 | D15-L19 WeakPolarHBondContact O-CB 3.34Å; D15-L19 PolarHBondContact O-N 2.86Å; C16-L19 PolarHBondContact O-N 3.45Å; L19-S23 WeakPolarHBondContact O-CB 3.44Å; L19-S23 PolarHBondContact O-N 2.84Å; L19-S23 PolarHBondContact O-OG 3.48Å |
| 20 | C | 63.3 | Low | 64.9 | Low | 62 Ų | 62 | 102.8 Ų | 102.8 | 42% | 0.419 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67.5 | -48.2 | 177.2 | -170.2 | 0 | 0 | 0 | 0 | 111.6 | C16 N17 Q18 H22 S23 I24 | C16-C20 WeakPolarHBondContact O-CB 3.48Å; C16-C20 PolarHBondContact O-N 2.8Å; N17-C20 PolarHBondContact O-N 2.97Å; Q18-C20 VanDerWaalsContact C-N 3.32Å; Q18-C20 PolarHBondContact O-N 3.23Å; C20-H22 VanDerWaalsContact C-N 3.33Å; C20-H22 PolarHBondContact O-N 3.44Å; C20-S23 WeakPolarHBondContact CA-OG 3.21Å; C20-S23 PolarHBondContact O-N 3.48Å; C20-S23 PolarHBondContact O-OG 3.28Å; C20-I24 WeakPolarHBondContact O-CB 3.38Å; C20-I24 WeakPolarHBondContact O-CD1 3.27Å; C20-I24 WeakPolarHBondContact O-CG1 3.13Å; C20-I24 PolarHBondContact O-N 2.81Å |
| 21 | I | 64.1 | Low | 63.2 | Low | 99 Ų | 99 | 102.5 Ų | 102.5 | 51% | 0.508 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.2 | -42 | 176.6 | -67.4 | 166.7 | 0 | 0 | 0 | 109.9 | N17 Q18 S23 I24 H25 | N17-I21 WeakPolarHBondContact O-CB 3.49Å; N17-I21 WeakPolarHBondContact O-CG1 3.32Å; N17-I21 PolarHBondContact O-N 2.91Å; Q18-I21 PolarHBondContact O-N 2.65Å; I21-S23 VanDerWaalsContact C-N 3.33Å; I21-S23 PolarHBondContact O-N 2.91Å; I21-I24 PolarHBondContact O-N 3.31Å; I21-H25 WeakPolarHBondContact O-CB 3.43Å; I21-H25 PolarHBondContact O-CD2 2.93Å; I21-H25 VanDerWaalsContact O-CD2 3.3Å; I21-H25 PolarHBondContact O-N 3.38Å |
| 22 | H | 59.9 | Low | 62.3 | Low | 113 Ų | 113 | 105.2 Ų | 105.2 | 52% | 0.523 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66.1 | -35.9 | 177.8 | -158.9 | -70.2 | 0 | 0 | 0 | 111.6 | Q18 C20 H26 | Q18-H22 WeakPolarHBondContact O-CB 3.31Å; Q18-H22 PolarHBondContact O-N 3.23Å; C20-H22 VanDerWaalsContact C-N 3.33Å; C20-H22 PolarHBondContact O-N 3.44Å; H22-H26 AromaticContact CD2-CD2 3.92Å; H22-H26 AromaticContact CE1-CD2 3.17Å; H22-H26 PolarHBondContact CE1-CD2 3.47Å; H22-H26 AromaticContact CE1-CG 3.78Å; H22-H26 AromaticContact CE1-NE2 3.89Å; H22-H26 AromaticContact CG-CD2 3.93Å; H22-H26 AromaticContact ND1-CD2 3.47Å; H22-H26 PolarHBondContact ND1-CD2 2.82Å; H22-H26 AromaticContact NE2-CD2 3.47Å; H22-H26 PolarHBondContact NE2-CD2 3.17Å; H22-H26 AromaticContact NE2-NE2 3.84Å; H22-H26 VanDerWaalsContact O-CB 3.27Å; H22-H26 WeakPolarHBondContact O-CB 3.4Å; H22-H26 PolarHBondContact O-N 3.47Å |
| 23 | S | 58 | Low | 61.2 | Low | 67 Ų | 67 | 110.7 Ų | 110.7 | 47% | 0.469 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -73 | -31.1 | 173.7 | 41.4 | 0 | 0 | 0 | 0 | 112.9 | L19 C20 I21 S27 | L19-S23 WeakPolarHBondContact O-CB 3.44Å; L19-S23 PolarHBondContact O-N 2.84Å; L19-S23 PolarHBondContact O-OG 3.48Å; C20-S23 WeakPolarHBondContact CA-OG 3.21Å; C20-S23 PolarHBondContact O-N 3.48Å; C20-S23 PolarHBondContact O-OG 3.28Å; I21-S23 VanDerWaalsContact C-N 3.33Å; I21-S23 PolarHBondContact O-N 2.91Å; S23-S27 PolarHBondContact O-OG 2.9Å |
| 24 | I | 58.2 | Low | 60.4 | Low | 114 Ų | 114 | 114.6 Ų | 114.6 | 59% | 0.585 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -72.2 | -43 | 174.3 | -67.4 | 163.7 | 0 | 0 | 0 | 111.3 | C20 I21 | C20-I24 WeakPolarHBondContact O-CB 3.38Å; C20-I24 WeakPolarHBondContact O-CD1 3.27Å; C20-I24 WeakPolarHBondContact O-CG1 3.13Å; C20-I24 PolarHBondContact O-N 2.81Å; I21-I24 PolarHBondContact O-N 3.31Å |
| 25 | H | 60.9 | Low | 59.3 | Low | 147 Ų | 147 | 118 Ų | 118 | 68% | 0.681 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -87.5 | -24.2 | -175.1 | -75.3 | -83.3 | 0 | 0 | 0 | 114.4 | I21 | I21-H25 WeakPolarHBondContact O-CB 3.43Å; I21-H25 PolarHBondContact O-CD2 2.93Å; I21-H25 VanDerWaalsContact O-CD2 3.3Å; I21-H25 PolarHBondContact O-N 3.38Å |
| 26 | H | 58.3 | Low | 58.4 | Low | 129 Ų | 129 | 121.6 Ų | 121.6 | 60% | 0.597 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.9 | 30.2 | 174.3 | -75.6 | -74.9 | 0 | 0 | 0 | 114.1 | H22 P28 | H22-H26 AromaticContact CD2-CD2 3.92Å; H22-H26 AromaticContact CE1-CD2 3.17Å; H22-H26 PolarHBondContact CE1-CD2 3.47Å; H22-H26 AromaticContact CE1-CG 3.78Å; H22-H26 AromaticContact CE1-NE2 3.89Å; H22-H26 AromaticContact CG-CD2 3.93Å; H22-H26 AromaticContact ND1-CD2 3.47Å; H22-H26 PolarHBondContact ND1-CD2 2.82Å; H22-H26 AromaticContact NE2-CD2 3.47Å; H22-H26 PolarHBondContact NE2-CD2 3.17Å; H22-H26 AromaticContact NE2-NE2 3.84Å; H22-H26 VanDerWaalsContact O-CB 3.27Å; H22-H26 WeakPolarHBondContact O-CB 3.4Å; H22-H26 PolarHBondContact O-N 3.47Å; H26-P28 WeakPolarHBondContact O-CD 2.92Å |
| 27 | S | 51.1 | Low | 58 | Low | 66 Ų | 66 | 124.8 Ų | 124.8 | 46% | 0.462 | 64% | 0.641 | S | S | . | * | trans | -94.1 | 86.9 | 165.1 | -72.2 | 0 | 0 | 0 | 0 | 110.7 | S23 S29 | S23-S27 PolarHBondContact O-OG 2.9Å; S27-S29 PolarHBondContact O-N 2.66Å | ||
| 28 | P | 52.4 | Low | 57.4 | Low | 108 Ų | 108 | 132.1 Ų | 132.1 | 70% | 0.701 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -69.3 | 92.2 | 160.1 | 30.1 | -29.5 | 0 | 0 | 0 | 106.3 | H26 M30 | H26-P28 WeakPolarHBondContact O-CD 2.92Å; P28-M30 VanDerWaalsContact C-N 3.34Å; P28-M30 PolarHBondContact O-N 2.7Å |
| 29 | S | 50.6 | Low | 57.2 | Low | 109 Ų | 109 | 128.2 Ų | 128.2 | 76% | 0.762 | 65% | 0.65 | S | S | * | * | trans | 41.6 | 57.9 | 171.3 | 61.7 | 0 | 0 | 0 | 0 | 113.2 | S27 N31 | S27-S29 PolarHBondContact O-N 2.66Å; S29-N31 PolarHBondContact O-N 2.8Å | ||
| 30 | M | 55.4 | Low | 57.5 | Low | 141 Ų | 141 | 124.6 Ų | 124.6 | 70% | 0.695 | 64% | 0.635 | S | S | * | * | trans | -67.8 | 94.4 | 159.4 | -87.9 | -89.9 | 80.7 | 0 | 0 | 104.5 | P28 I32 | P28-M30 VanDerWaalsContact C-N 3.34Å; P28-M30 PolarHBondContact O-N 2.7Å; M30-I32 HydrophobicContact CB-CG1 4.45Å; M30-I32 PolarHBondContact O-N 3.07Å | ||
| 31 | N | 44.5 | Very low | 58.1 | Low | 128 Ų | 128 | 129.4 Ų | 129.4 | 68% | 0.684 | 65% | 0.649 | S | S | * | * | trans | -56.5 | 84.6 | 161.9 | -159 | -0.3 | 0 | 0 | 0 | 104.4 | S29 K33 | S29-N31 PolarHBondContact O-N 2.8Å; N31-K33 PolarHBondContact O-N 2.94Å | ||
| 32 | I | 56.3 | Low | 58.6 | Low | 144 Ų | 144 | 132 Ų | 132 | 74% | 0.738 | 66% | 0.657 | S | S | * | * | trans | -68.3 | 76.6 | 167.5 | -55.3 | 171 | 0 | 0 | 0 | 102.8 | M30 K34 | M30-I32 HydrophobicContact CB-CG1 4.45Å; M30-I32 PolarHBondContact O-N 3.07Å; I32-K34 VanDerWaalsContact C-N 3.3Å; I32-K34 PolarHBondContact O-N 2.7Å | ||
| 33 | K | 52.6 | Low | 59.4 | Low | 165 Ų | 165 | 130 Ų | 130 | 72% | 0.717 | 65% | 0.65 | S | S | * | * | trans | -47.1 | 115.7 | 148.3 | -71.7 | -176.8 | 178.8 | 178.5 | 0 | 101.9 | N31 E35 | N31-K33 PolarHBondContact O-N 2.94Å; K33-E35 PolarHBondContact O-N 2.63Å | ||
| 34 | K | 56.9 | Low | 60.2 | Low | 198 Ų | 198 | 132.9 Ų | 132.9 | 86% | 0.861 | 65% | 0.654 | S | S | * | * | trans | -56.9 | 81.7 | 156.5 | -73.2 | 178.8 | 178 | 177 | 0 | 103.8 | I32 H36 | I32-K34 VanDerWaalsContact C-N 3.3Å; I32-K34 PolarHBondContact O-N 2.7Å; K34-H36 PolarHBondContact O-N 2.83Å | ||
| 35 | E | 53.1 | Low | 61.3 | Low | 168 Ų | 168 | 130.9 Ų | 130.9 | 79% | 0.785 | 64% | 0.644 | S | S | * | * | trans | -63.6 | 100.2 | 166.5 | -157.9 | 167.7 | -161.6 | 0 | 0 | 100.7 | K33 I37 | K33-E35 PolarHBondContact O-N 2.63Å; E35-I37 PolarHBondContact O-N 2.72Å | ||
| 36 | H | 56.1 | Low | 62.3 | Low | 177 Ų | 177 | 130.9 Ų | 130.9 | 82% | 0.819 | 64% | 0.642 | S | S | * | * | trans | -52.9 | 99.5 | 164.4 | -105.7 | -28.8 | 0 | 0 | 0 | 103.2 | K34 R38 | K34-H36 PolarHBondContact O-N 2.83Å; H36-R38 PolarHBondContact O-N 2.85Å | ||
| 37 | I | 61.6 | Low | 63.2 | Low | 151 Ų | 151 | 130.2 Ų | 130.2 | 77% | 0.774 | 64% | 0.643 | S | S | * | * | trans | -63.9 | 86.3 | 165.7 | -58.5 | 173.6 | 0 | 0 | 0 | 102.5 | E35 S39 | E35-I37 PolarHBondContact O-N 2.72Å; I37-S39 PolarHBondContact O-N 3.05Å | ||
| 38 | R | 59.4 | Low | 64.6 | Low | 233 Ų | 233 | 132.8 Ų | 132.8 | 88% | 0.879 | 65% | 0.646 | S | S | * | * | trans | -71.1 | 82 | 171 | -166.4 | 178.5 | -171.2 | 178.6 | 2.5 | 102.8 | H36 S40 | H36-R38 PolarHBondContact O-N 2.85Å; R38-S40 PolarHBondContact O-N 3.46Å | ||
| 39 | S | 63.9 | Low | 66 | Low | 40 Ų | 40 | 133.6 Ų | 133.6 | 28% | 0.28 | 64% | 0.638 | S | S | . | * | trans | -48 | 110.2 | 175.7 | 173.8 | 0 | 0 | 0 | 0 | 106.1 | I37 K44 | I37-S39 PolarHBondContact O-N 3.05Å; S39-K44 WeakPolarHBondContact OG-CG 3.01Å | ||
| 40 | S | 70.9 | Confident | 67.5 | Low | 57 Ų | 57 | 135 Ų | 135 | 40% | 0.399 | 63% | 0.631 | S | S | . | * | trans | -62.6 | 153.7 | 179.7 | 179.4 | 0 | 0 | 0 | 0 | 107.5 | R38 K42 D43 K44 | R38-S40 PolarHBondContact O-N 3.46Å; S40-K42 PolarHBondContact O-N 3.41Å; S40-D43 WeakPolarHBondContact CB-OD2 3.4Å; S40-D43 PolarHBondContact N-OD2 3.26Å; S40-D43 PolarHBondContact O-N 3.36Å; S40-K44 PolarHBondContact O-N 3.02Å; S40-K44 VanDerWaalsContact O-N 3.11Å | ||
| 41 | K | 76.5 | Confident | 68.7 | Low | 163 Ų | 163 | 129 Ų | 129 | 71% | 0.709 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -48.5 | -38.4 | 172 | -173.3 | 174.7 | 179 | 178.5 | 0 | 110.8 | D43 K44 D45 | K41-D43 PolarHBondContact O-N 3.07Å; K41-K44 PolarHBondContact O-N 2.76Å; K41-D45 WeakPolarHBondContact O-CB 3.47Å; K41-D45 PolarHBondContact O-N 2.96Å |
| 42 | K | 74.6 | Confident | 70.5 | Confident | 155 Ų | 155 | 127.9 Ų | 127.9 | 67% | 0.674 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -61.4 | -35.8 | 174.9 | -66 | -172.3 | 179.2 | -177.2 | 0 | 114.4 | S40 K46 | S40-K42 PolarHBondContact O-N 3.41Å; K42-K46 WeakPolarHBondContact O-CG 3.47Å; K42-K46 PolarHBondContact O-N 3.13Å; K42-K46 VanDerWaalsContact O-N 3.07Å |
| 43 | D | 76 | Confident | 71.7 | Confident | 69 Ų | 69 | 127.1 Ų | 127.1 | 37% | 0.369 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -77.2 | -36.6 | -179.5 | -58.6 | -37 | 0 | 0 | 0 | 111.1 | S40 K41 K46 L47 | S40-D43 WeakPolarHBondContact CB-OD2 3.4Å; S40-D43 PolarHBondContact N-OD2 3.26Å; S40-D43 PolarHBondContact O-N 3.36Å; K41-D43 PolarHBondContact O-N 3.07Å; D43-K46 PolarHBondContact O-N 2.85Å; D43-L47 WeakPolarHBondContact O-CG 3.15Å; D43-L47 PolarHBondContact O-N 3.48Å |
| 44 | K | 75.5 | Confident | 72.6 | Confident | 129 Ų | 129 | 122.9 Ų | 122.9 | 56% | 0.561 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -63.2 | -43.9 | 171.2 | -62.8 | -170 | 179.2 | -176.5 | 0 | 111.5 | S39 S40 K41 K46 L47 F48 | S39-K44 WeakPolarHBondContact OG-CG 3.01Å; S40-K44 PolarHBondContact O-N 3.02Å; S40-K44 VanDerWaalsContact O-N 3.11Å; K41-K44 PolarHBondContact O-N 2.76Å; K44-K46 VanDerWaalsContact C-N 3.33Å; K44-K46 PolarHBondContact O-N 3.21Å; K44-L47 PolarHBondContact O-N 2.98Å; K44-F48 WeakPolarHBondContact O-CB 3.02Å; K44-F48 PolarHBondContact O-N 3.36Å |
| 45 | D | 81.7 | Confident | 73.1 | Confident | 71 Ų | 71 | 122.4 Ų | 122.4 | 38% | 0.38 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -61.8 | -43.3 | 177.7 | -65 | -20.9 | 0 | 0 | 0 | 110.3 | K41 L47 F48 F49 | K41-D45 WeakPolarHBondContact O-CB 3.47Å; K41-D45 PolarHBondContact O-N 2.96Å; D45-L47 PolarHBondContact O-N 3.46Å; D45-F48 PolarHBondContact O-N 3.04Å; D45-F49 HydrophobicContact CB-CE2 4.43Å; D45-F49 WeakPolarHBondContact O-CD2 3.37Å; D45-F49 PolarHBondContact O-N 2.66Å |
| 46 | K | 80.6 | Confident | 73.6 | Confident | 147 Ų | 147 | 121.6 Ų | 121.6 | 64% | 0.639 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -60 | -45.1 | 174.9 | -77.6 | 177.6 | -176.7 | 179.5 | 0 | 113 | K42 D43 K44 F48 F49 F50 | K42-K46 WeakPolarHBondContact O-CG 3.47Å; K42-K46 PolarHBondContact O-N 3.13Å; K42-K46 VanDerWaalsContact O-N 3.07Å; D43-K46 PolarHBondContact O-N 2.85Å; K44-K46 VanDerWaalsContact C-N 3.33Å; K44-K46 PolarHBondContact O-N 3.21Å; K46-F48 VanDerWaalsContact C-N 3.32Å; K46-F48 PolarHBondContact O-N 3.4Å; K46-F49 PolarHBondContact O-N 2.69Å; K46-F50 WeakPolarHBondContact O-CB 3.39Å; K46-F50 PolarHBondContact O-N 3.22Å |
| 47 | L | 77.7 | Confident | 73.5 | Confident | 116 Ų | 116 | 118.4 Ų | 118.4 | 61% | 0.607 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63.3 | -40 | 176.7 | -73.2 | 170 | 0 | 0 | 0 | 111.4 | D43 K44 D45 F50 S51 | D43-L47 WeakPolarHBondContact O-CG 3.15Å; D43-L47 PolarHBondContact O-N 3.48Å; K44-L47 PolarHBondContact O-N 2.98Å; D45-L47 PolarHBondContact O-N 3.46Å; L47-F50 PolarHBondContact O-N 3.11Å; L47-S51 PolarHBondContact O-N 2.83Å; L47-S51 PolarHBondContact O-OG 3.47Å |
| 48 | F | 79.7 | Confident | 73.4 | Confident | 119 Ų | 119 | 119 Ų | 119 | 52% | 0.522 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65.3 | -39.5 | 175.5 | -178.2 | -102.8 | 0 | 0 | 0 | 113 | K44 D45 K46 S51 L52 | K44-F48 WeakPolarHBondContact O-CB 3.02Å; K44-F48 PolarHBondContact O-N 3.36Å; D45-F48 PolarHBondContact O-N 3.04Å; K46-F48 VanDerWaalsContact C-N 3.32Å; K46-F48 PolarHBondContact O-N 3.4Å; F48-S51 WeakPolarHBondContact CA-OG 3.47Å; F48-S51 PolarHBondContact O-OG 3.28Å; F48-L52 HydrophobicContact CD1-CD1 3.86Å; F48-L52 HydrophobicContact CE1-CD1 3.4Å; F48-L52 HydrophobicContact CE1-CG 4.23Å; F48-L52 HydrophobicContact CZ-CD1 3.86Å; F48-L52 HydrophobicContact CZ-CG 4.3Å; F48-L52 WeakPolarHBondContact O-CG 3.48Å; F48-L52 PolarHBondContact O-N 2.91Å; F48-L52 VanDerWaalsContact O-N 3.13Å |
| 49 | F | 83 | Confident | 73 | Confident | 126 Ų | 126 | 120.5 Ų | 120.5 | 55% | 0.553 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -67.6 | -41.4 | 173.3 | -79.6 | -68.8 | 0 | 0 | 0 | 111.8 | D45 K46 S51 L52 I53 | D45-F49 HydrophobicContact CB-CE2 4.43Å; D45-F49 WeakPolarHBondContact O-CD2 3.37Å; D45-F49 PolarHBondContact O-N 2.66Å; K46-F49 PolarHBondContact O-N 2.69Å; F49-S51 VanDerWaalsContact C-N 3.28Å; F49-S51 PolarHBondContact O-N 3.5Å; F49-L52 PolarHBondContact O-N 3.35Å; F49-I53 WeakPolarHBondContact O-CD1 3.39Å; F49-I53 VanDerWaalsContact O-CG1 3.25Å; F49-I53 WeakPolarHBondContact O-CG1 3.21Å; F49-I53 PolarHBondContact O-N 3.47Å |
| 50 | F | 81.9 | Confident | 73.5 | Confident | 139 Ų | 139 | 124.6 Ų | 124.6 | 61% | 0.61 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -60.3 | -39.9 | 178.9 | -165 | -103.1 | 0 | 0 | 0 | 111.6 | K46 L47 I53 N54 | K46-F50 WeakPolarHBondContact O-CB 3.39Å; K46-F50 PolarHBondContact O-N 3.22Å; L47-F50 PolarHBondContact O-N 3.11Å; F50-I53 PolarHBondContact O-N 3.07Å; F50-N54 WeakPolarHBondContact CD1-ND2 3.43Å; F50-N54 WeakPolarHBondContact CE1-ND2 3.37Å; F50-N54 WeakPolarHBondContact CE2-ND2 3.16Å; F50-N54 WeakPolarHBondContact CZ-ND2 3.04Å; F50-N54 WeakPolarHBondContact O-CB 3.25Å; F50-N54 PolarHBondContact O-N 2.85Å; F50-N54 PolarHBondContact O-ND2 3.06Å |
| 51 | S | 81.4 | Confident | 73.6 | Confident | 15 Ų | 15 | 128.1 Ų | 128.1 | 11% | 0.105 | 60% | 0.602 | C | S | . | * | H | α-helix | trans | -70.1 | -37.5 | 175 | 52.9 | 0 | 0 | 0 | 0 | 114.8 | L47 F48 F49 I53 N54 K55 F58 | L47-S51 PolarHBondContact O-N 2.83Å; L47-S51 PolarHBondContact O-OG 3.47Å; F48-S51 WeakPolarHBondContact CA-OG 3.47Å; F48-S51 PolarHBondContact O-OG 3.28Å; F49-S51 VanDerWaalsContact C-N 3.28Å; F49-S51 PolarHBondContact O-N 3.5Å; S51-I53 VanDerWaalsContact C-N 3.28Å; S51-I53 PolarHBondContact O-N 3.24Å; S51-N54 PolarHBondContact O-N 2.91Å; S51-K55 PolarHBondContact O-N 3.35Å; S51-F58 WeakPolarHBondContact OG-CE2 3.35Å; S51-F58 WeakPolarHBondContact OG-CZ 3.49Å |
| 52 | L | 81.5 | Confident | 73.5 | Confident | 103 Ų | 103 | 126.2 Ų | 126.2 | 54% | 0.539 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -63 | -38.9 | 175.2 | -78 | 173.9 | 0 | 0 | 0 | 111.1 | F48 F49 | F48-L52 HydrophobicContact CD1-CD1 3.86Å; F48-L52 HydrophobicContact CE1-CD1 3.4Å; F48-L52 HydrophobicContact CE1-CG 4.23Å; F48-L52 HydrophobicContact CZ-CD1 3.86Å; F48-L52 HydrophobicContact CZ-CG 4.3Å; F48-L52 WeakPolarHBondContact O-CG 3.48Å; F48-L52 PolarHBondContact O-N 2.91Å; F48-L52 VanDerWaalsContact O-N 3.13Å; F49-L52 PolarHBondContact O-N 3.35Å |
| 53 | I | 82.1 | Confident | 73.4 | Confident | 129 Ų | 129 | 124.5 Ų | 124.5 | 66% | 0.662 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -71.4 | -39.7 | 179.4 | -66.1 | 164.6 | 0 | 0 | 0 | 111 | F49 F50 S51 K55 | F49-I53 WeakPolarHBondContact O-CD1 3.39Å; F49-I53 VanDerWaalsContact O-CG1 3.25Å; F49-I53 WeakPolarHBondContact O-CG1 3.21Å; F49-I53 PolarHBondContact O-N 3.47Å; F50-I53 PolarHBondContact O-N 3.07Å; S51-I53 VanDerWaalsContact C-N 3.28Å; S51-I53 PolarHBondContact O-N 3.24Å; I53-K55 PolarHBondContact O-N 2.94Å |
| 54 | N | 71.6 | Confident | 73.2 | Confident | 75 Ų | 75 | 127.9 Ų | 127.9 | 40% | 0.401 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -86.9 | 0.6 | -173.2 | -70.3 | -45.6 | 0 | 0 | 0 | 115.3 | F50 S51 E56 | F50-N54 WeakPolarHBondContact CD1-ND2 3.43Å; F50-N54 WeakPolarHBondContact CE1-ND2 3.37Å; F50-N54 WeakPolarHBondContact CE2-ND2 3.16Å; F50-N54 WeakPolarHBondContact CZ-ND2 3.04Å; F50-N54 WeakPolarHBondContact O-CB 3.25Å; F50-N54 PolarHBondContact O-N 2.85Å; F50-N54 PolarHBondContact O-ND2 3.06Å; S51-N54 PolarHBondContact O-N 2.91Å; N54-E56 PolarHBondContact O-N 2.87Å |
| 55 | K | 67.4 | Low | 73.1 | Confident | 189 Ų | 189 | 127.9 Ų | 127.9 | 82% | 0.822 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 48.4 | 20.6 | 177.6 | -66.8 | -172.8 | 178.3 | -179.6 | 0 | 114.9 | S51 I53 P57 | S51-K55 PolarHBondContact O-N 3.35Å; I53-K55 PolarHBondContact O-N 2.94Å; K55-P57 WeakPolarHBondContact O-CD 3.39Å |
| 56 | E | 62.8 | Low | 72.5 | Confident | 151 Ų | 151 | 131.9 Ų | 131.9 | 71% | 0.706 | 63% | 0.625 | S | S | * | * | trans | -78.8 | 121 | 171.8 | -75.2 | -164.1 | 146.2 | 0 | 0 | 107.7 | N54 F58 | N54-E56 PolarHBondContact O-N 2.87Å; E56-F58 PolarHBondContact O-N 3.18Å | ||
| 57 | P | 53.2 | Low | 71.8 | Confident | 110 Ų | 110 | 130.8 Ų | 130.8 | 71% | 0.714 | 62% | 0.624 | S | S | * | * | trans | -66.8 | 111.5 | 172.2 | 27.3 | -29.5 | 0 | 0 | 0 | 107 | K55 K59 | K55-P57 WeakPolarHBondContact O-CD 3.39Å; P57-K59 VanDerWaalsContact C-N 3.26Å; P57-K59 PolarHBondContact O-N 3.4Å | ||
| 58 | F | 60.3 | Low | 71.3 | Confident | 162 Ų | 162 | 132 Ų | 132 | 71% | 0.711 | 63% | 0.625 | S | S | * | * | trans | -59.4 | 98.3 | 160.2 | -65.2 | -64.1 | 0 | 0 | 0 | 107.4 | S51 E56 | S51-F58 WeakPolarHBondContact OG-CE2 3.35Å; S51-F58 WeakPolarHBondContact OG-CZ 3.49Å; E56-F58 PolarHBondContact O-N 3.18Å | ||
| 59 | K | 51.3 | Low | 70.6 | Confident | 266 Ų | 266 | 133.2 Ų | 133.2 | 100% | 1.157 | 63% | 0.634 | S | S | * | * | trans | -78 | 0 | 156.1 | -76.2 | -174 | 177.5 | 178.7 | 0 | 109.1 | P57 | P57-K59 VanDerWaalsContact C-N 3.26Å; P57-K59 PolarHBondContact O-N 3.4Å |
Retrieved 59 of 59 residues in 93.3 ms
(Link to these results)