| 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 | 51 | Low | 75.2 | Confident | 223 Ų | 223 | 118.5 Ų | 118.5 | 100% | 1.099 | 61% | 0.606 | S | S | * | * | 0 | 112.4 | 0 | -155.5 | 168.2 | -163.1 | 0 | 0 | 105.9 | |||||
| 2 | D | 65.9 | Low | 75.7 | Confident | 126 Ų | 126 | 117 Ų | 117 | 67% | 0.674 | 60% | 0.599 | S | S | * | * | trans | -59.3 | 136.4 | -166.2 | -83.6 | -65.4 | 0 | 0 | 0 | 113.1 | T4 Y5 | D2-T4 PolarHBondContact O-N 3.43Å; D2-Y5 WeakPolarHBondContact O-CB 3.46Å; D2-Y5 PolarHBondContact O-N 3.16Å | ||
| 3 | I | 73.6 | Confident | 76.4 | Confident | 150 Ų | 150 | 114.6 Ų | 114.6 | 77% | 0.769 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -50.8 | -30 | 175 | -107.4 | 163 | 0 | 0 | 0 | 111.9 | Y5 S6 W7 | I3-Y5 VanDerWaalsContact C-N 3.33Å; I3-Y5 PolarHBondContact O-N 3.03Å; I3-S6 WeakPolarHBondContact O-CB 3.41Å; I3-S6 PolarHBondContact O-N 3.43Å; I3-W7 PolarHBondContact O-N 3.13Å |
| 4 | T | 74.4 | Confident | 76.6 | Confident | 97 Ų | 97 | 112.3 Ų | 112.3 | 60% | 0.595 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -59.9 | -40.7 | 176.1 | -37.8 | 0 | 0 | 0 | 0 | 112.4 | D2 S6 W7 C8 | D2-T4 PolarHBondContact O-N 3.43Å; T4-S6 VanDerWaalsContact C-N 3.35Å; T4-W7 PolarHBondContact O-N 3.45Å; T4-C8 PolarHBondContact O-N 3.41Å; T4-C8 VanDerWaalsContact O-N 3.16Å; T4-C8 PolarHBondContact O-SG 3.49Å; T4-C8 VanDerWaalsContact O-SG 3.38Å |
| 5 | Y | 76.4 | Confident | 76.7 | Confident | 154 Ų | 154 | 113.4 Ų | 113.4 | 60% | 0.604 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -69.4 | -38 | 178.7 | -141.2 | -87.4 | 0 | 0 | 0 | 110.9 | D2 I3 W7 C8 I9 | D2-Y5 WeakPolarHBondContact O-CB 3.46Å; D2-Y5 PolarHBondContact O-N 3.16Å; I3-Y5 VanDerWaalsContact C-N 3.33Å; I3-Y5 PolarHBondContact O-N 3.03Å; Y5-W7 VanDerWaalsContact C-N 3.35Å; Y5-W7 PolarHBondContact O-N 3.37Å; Y5-C8 PolarHBondContact O-N 3.23Å; Y5-I9 HydrophobicContact CD1-CG1 4.18Å; Y5-I9 HydrophobicContact CE1-CD1 4.38Å; Y5-I9 HydrophobicContact CE1-CG1 4.45Å; Y5-I9 WeakPolarHBondContact O-CG1 3.47Å; Y5-I9 PolarHBondContact O-N 3.16Å; Y5-I9 VanDerWaalsContact O-N 3.13Å |
| 6 | S | 78.5 | Confident | 76.7 | Confident | 71 Ų | 71 | 113.7 Ų | 113.7 | 50% | 0.497 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -61 | -43.7 | 175.5 | -168.9 | 0 | 0 | 0 | 0 | 111.6 | I3 T4 I9 I10 | I3-S6 WeakPolarHBondContact O-CB 3.41Å; I3-S6 PolarHBondContact O-N 3.43Å; T4-S6 VanDerWaalsContact C-N 3.35Å; S6-I9 PolarHBondContact O-N 2.91Å; S6-I10 WeakPolarHBondContact O-CD1 3.26Å; S6-I10 WeakPolarHBondContact O-CG1 3.38Å; S6-I10 PolarHBondContact O-N 3.03Å; S6-I10 VanDerWaalsContact O-N 3.16Å |
| 7 | W | 80.1 | Confident | 76.5 | Confident | 189 Ų | 189 | 112.8 Ų | 112.8 | 72% | 0.716 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -62.4 | -44.4 | 177 | -169.3 | -86 | 0 | 0 | 0 | 112.5 | I3 T4 Y5 I9 I10 C11 | I3-W7 PolarHBondContact O-N 3.13Å; T4-W7 PolarHBondContact O-N 3.45Å; Y5-W7 VanDerWaalsContact C-N 3.35Å; Y5-W7 PolarHBondContact O-N 3.37Å; W7-I9 PolarHBondContact O-N 3.39Å; W7-I10 PolarHBondContact O-N 3.22Å; W7-C11 PolarHBondContact O-N 3.3Å; W7-C11 PolarHBondContact O-SG 3.38Å |
| 8 | C | 77.8 | Confident | 76 | Confident | 67 Ų | 67 | 112.5 Ų | 112.5 | 45% | 0.453 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -61.8 | -42.1 | 178.4 | -70.1 | 0 | 0 | 0 | 0 | 112.9 | T4 Y5 I10 C11 L12 | T4-C8 PolarHBondContact O-N 3.41Å; T4-C8 VanDerWaalsContact O-N 3.16Å; T4-C8 PolarHBondContact O-SG 3.49Å; T4-C8 VanDerWaalsContact O-SG 3.38Å; Y5-C8 PolarHBondContact O-N 3.23Å; C8-I10 VanDerWaalsContact C-N 3.34Å; C8-I10 PolarHBondContact O-N 3.47Å; C8-C11 PolarHBondContact O-N 2.89Å; C8-L12 WeakPolarHBondContact O-CG 3.25Å; C8-L12 PolarHBondContact O-N 3.32Å |
| 9 | I | 83.1 | Confident | 75.1 | Confident | 80 Ų | 80 | 108.7 Ų | 108.7 | 41% | 0.41 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -64.1 | -41.3 | 178.1 | -65.4 | -64.4 | 0 | 0 | 0 | 110.8 | Y5 S6 W7 C11 L12 I13 | Y5-I9 HydrophobicContact CD1-CG1 4.18Å; Y5-I9 HydrophobicContact CE1-CD1 4.38Å; Y5-I9 HydrophobicContact CE1-CG1 4.45Å; Y5-I9 WeakPolarHBondContact O-CG1 3.47Å; Y5-I9 PolarHBondContact O-N 3.16Å; Y5-I9 VanDerWaalsContact O-N 3.13Å; S6-I9 PolarHBondContact O-N 2.91Å; W7-I9 PolarHBondContact O-N 3.39Å; I9-C11 PolarHBondContact O-N 2.85Å; I9-L12 PolarHBondContact O-N 2.94Å; I9-I13 HydrophobicContact CG2-CD1 3.78Å; I9-I13 HydrophobicContact CG2-CG1 4.46Å; I9-I13 VanDerWaalsContact O-CG1 3.25Å; I9-I13 WeakPolarHBondContact O-CG1 3.43Å; I9-I13 PolarHBondContact O-N 3.49Å |
| 10 | I | 85.5 | Confident | 74 | Confident | 86 Ų | 86 | 110.9 Ų | 110.9 | 44% | 0.441 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.4 | -41 | 175.6 | -70.3 | 161.3 | 0 | 0 | 0 | 111.3 | S6 W7 C8 I13 N14 | S6-I10 WeakPolarHBondContact O-CD1 3.26Å; S6-I10 WeakPolarHBondContact O-CG1 3.38Å; S6-I10 PolarHBondContact O-N 3.03Å; S6-I10 VanDerWaalsContact O-N 3.16Å; W7-I10 PolarHBondContact O-N 3.22Å; C8-I10 VanDerWaalsContact C-N 3.34Å; C8-I10 PolarHBondContact O-N 3.47Å; I10-I13 PolarHBondContact O-N 3.28Å; I10-N14 PolarHBondContact O-N 2.97Å; I10-N14 PolarHBondContact O-ND2 3.49Å |
| 11 | C | 81.3 | Confident | 72.7 | Confident | 61 Ų | 61 | 111 Ų | 111 | 41% | 0.412 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.4 | -43.7 | 175 | -71.7 | 0 | 0 | 0 | 0 | 112.4 | W7 C8 I9 I13 N14 L15 | W7-C11 PolarHBondContact O-N 3.3Å; W7-C11 PolarHBondContact O-SG 3.38Å; C8-C11 PolarHBondContact O-N 2.89Å; I9-C11 PolarHBondContact O-N 2.85Å; C11-I13 PolarHBondContact O-N 2.99Å; C11-N14 PolarHBondContact O-N 3.43Å; C11-L15 WeakPolarHBondContact O-CB 3.35Å; C11-L15 PolarHBondContact O-N 3.09Å |
| 12 | L | 80.7 | Confident | 72.3 | Confident | 100 Ų | 100 | 103.3 Ų | 103.3 | 52% | 0.524 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.9 | -41 | 177.7 | -76.4 | 168.8 | 0 | 0 | 0 | 112 | C8 I9 L15 L16 | C8-L12 WeakPolarHBondContact O-CG 3.25Å; C8-L12 PolarHBondContact O-N 3.32Å; I9-L12 PolarHBondContact O-N 2.94Å; L12-L15 PolarHBondContact O-N 3.03Å; L12-L16 WeakPolarHBondContact O-CB 3.22Å; L12-L16 PolarHBondContact O-N 2.88Å |
| 13 | I | 84.5 | Confident | 71.4 | Confident | 86 Ų | 86 | 103.8 Ų | 103.8 | 44% | 0.441 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.9 | -46.7 | 175.8 | -69.1 | 166.4 | 0 | 0 | 0 | 110.1 | I9 I10 C11 L15 L16 L17 | I9-I13 HydrophobicContact CG2-CD1 3.78Å; I9-I13 HydrophobicContact CG2-CG1 4.46Å; I9-I13 VanDerWaalsContact O-CG1 3.25Å; I9-I13 WeakPolarHBondContact O-CG1 3.43Å; I9-I13 PolarHBondContact O-N 3.49Å; I10-I13 PolarHBondContact O-N 3.28Å; C11-I13 PolarHBondContact O-N 2.99Å; I13-L15 VanDerWaalsContact C-N 3.3Å; I13-L15 PolarHBondContact O-N 3.49Å; I13-L16 PolarHBondContact O-N 3.29Å; I13-L17 HydrophobicContact CG2-CD1 3.39Å; I13-L17 VanDerWaalsContact O-CD1 3.26Å; I13-L17 WeakPolarHBondContact O-CD1 3.28Å; I13-L17 PolarHBondContact O-N 3.45Å |
| 14 | N | 79.8 | Confident | 69.9 | Low | 82 Ų | 82 | 100 Ų | 100 | 44% | 0.439 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.3 | -38.7 | 175.8 | -77.6 | -59.5 | 0 | 0 | 0 | 112.3 | I10 C11 N18 | I10-N14 PolarHBondContact O-N 2.97Å; I10-N14 PolarHBondContact O-ND2 3.49Å; C11-N14 PolarHBondContact O-N 3.43Å; N14-N18 VanDerWaalsContact O-CB 3.25Å; N14-N18 WeakPolarHBondContact O-CB 3.44Å; N14-N18 PolarHBondContact O-N 3.45Å; N14-N18 PolarHBondContact O-ND2 2.8Å |
| 15 | L | 77.1 | Confident | 68.2 | Low | 129 Ų | 129 | 103.6 Ų | 103.6 | 68% | 0.675 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66 | -40.2 | 176.6 | -153.1 | 101.9 | 0 | 0 | 0 | 111.6 | C11 L12 I13 G19 | C11-L15 WeakPolarHBondContact O-CB 3.35Å; C11-L15 PolarHBondContact O-N 3.09Å; L12-L15 PolarHBondContact O-N 3.03Å; I13-L15 VanDerWaalsContact C-N 3.3Å; I13-L15 PolarHBondContact O-N 3.49Å; L15-G19 WeakPolarHBondContact O-CA 3.25Å; L15-G19 PolarHBondContact O-N 2.7Å |
| 16 | L | 76.8 | Confident | 66.6 | Low | 118 Ų | 118 | 102.9 Ų | 102.9 | 62% | 0.618 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -67.6 | -42.7 | 176.1 | -98 | 153.5 | 0 | 0 | 0 | 112.2 | L12 I13 K20 | L12-L16 WeakPolarHBondContact O-CB 3.22Å; L12-L16 PolarHBondContact O-N 2.88Å; I13-L16 PolarHBondContact O-N 3.29Å; L16-K20 WeakPolarHBondContact O-CB 3.47Å; L16-K20 PolarHBondContact O-N 2.88Å |
| 17 | L | 73.9 | Confident | 64.8 | Low | 99 Ų | 99 | 106.4 Ų | 106.4 | 52% | 0.518 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.3 | -48.2 | 175.5 | -90.5 | 116.9 | 0 | 0 | 0 | 110.9 | I13 K20 L21 | I13-L17 HydrophobicContact CG2-CD1 3.39Å; I13-L17 VanDerWaalsContact O-CD1 3.26Å; I13-L17 WeakPolarHBondContact O-CD1 3.28Å; I13-L17 PolarHBondContact O-N 3.45Å; L17-K20 PolarHBondContact O-N 2.89Å; L17-L21 VanDerWaalsContact O-CB 3.28Å; L17-L21 WeakPolarHBondContact O-CB 3.33Å; L17-L21 VanDerWaalsContact O-CD1 3.29Å; L17-L21 WeakPolarHBondContact O-CD1 3.28Å; L17-L21 VanDerWaalsContact O-CG 3.28Å; L17-L21 WeakPolarHBondContact O-CG 3.29Å; L17-L21 PolarHBondContact O-N 2.89Å |
| 18 | N | 68 | Low | 62.5 | Low | 107 Ų | 107 | 104.5 Ų | 104.5 | 57% | 0.572 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -68.1 | -35.4 | 178.6 | -69.1 | -38.8 | 0 | 0 | 0 | 112.2 | N14 L21 G22 | N14-N18 VanDerWaalsContact O-CB 3.25Å; N14-N18 WeakPolarHBondContact O-CB 3.44Å; N14-N18 PolarHBondContact O-N 3.45Å; N14-N18 PolarHBondContact O-ND2 2.8Å; N18-L21 PolarHBondContact O-N 3.41Å; N18-G22 PolarHBondContact O-N 3.28Å |
| 19 | G | 57.8 | Low | 60.6 | Low | 41 Ų | 41 | 110.9 Ų | 110.9 | 42% | 0.423 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -70.8 | -39.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L15 G22 Q23 | L15-G19 WeakPolarHBondContact O-CA 3.25Å; L15-G19 PolarHBondContact O-N 2.7Å; G19-G22 PolarHBondContact O-N 3.47Å; G19-Q23 PolarHBondContact O-N 2.85Å |
| 20 | K | 52.8 | Low | 58.5 | Low | 151 Ų | 151 | 112.6 Ų | 112.6 | 66% | 0.657 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -72.2 | -32.4 | 170.1 | -91 | -156.3 | 168.2 | -162.9 | 0 | 112.5 | L16 L17 G22 Q23 A24 | L16-K20 WeakPolarHBondContact O-CB 3.47Å; L16-K20 PolarHBondContact O-N 2.88Å; L17-K20 PolarHBondContact O-N 2.89Å; K20-G22 PolarHBondContact O-N 2.96Å; K20-Q23 CarbonylContact O-C 3.49Å; K20-Q23 PolarHBondContact O-N 3.31Å; K20-Q23 VanDerWaalsContact O-N 3.09Å; K20-A24 WeakPolarHBondContact O-CB 3.39Å; K20-A24 PolarHBondContact O-N 3.19Å |
| 21 | L | 47.5 | Very low | 56.3 | Low | 114 Ų | 114 | 117.3 Ų | 117.3 | 60% | 0.597 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -64.8 | -31.9 | 170 | -80.6 | 154.1 | 0 | 0 | 0 | 111.1 | L17 N18 Q23 | L17-L21 VanDerWaalsContact O-CB 3.28Å; L17-L21 WeakPolarHBondContact O-CB 3.33Å; L17-L21 VanDerWaalsContact O-CD1 3.29Å; L17-L21 WeakPolarHBondContact O-CD1 3.28Å; L17-L21 VanDerWaalsContact O-CG 3.28Å; L17-L21 WeakPolarHBondContact O-CG 3.29Å; L17-L21 PolarHBondContact O-N 2.89Å; N18-L21 PolarHBondContact O-N 3.41Å; L21-Q23 VanDerWaalsContact C-N 3.26Å; L21-Q23 PolarHBondContact O-N 3.15Å |
| 22 | G | 43.7 | Very low | 54.2 | Low | 61 Ų | 61 | 120 Ų | 120 | 63% | 0.629 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -67.2 | -20.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | N18 G19 K20 | N18-G22 PolarHBondContact O-N 3.28Å; G19-G22 PolarHBondContact O-N 3.47Å; K20-G22 PolarHBondContact O-N 2.96Å |
| 23 | Q | 45.5 | Very low | 52.2 | Low | 137 Ų | 137 | 119.5 Ų | 119.5 | 64% | 0.64 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -105.6 | -19.6 | 175.4 | -67.6 | -174.2 | -3.5 | 0 | 0 | 113.4 | G19 K20 L21 Q25 E26 | G19-Q23 PolarHBondContact O-N 2.85Å; K20-Q23 CarbonylContact O-C 3.49Å; K20-Q23 PolarHBondContact O-N 3.31Å; K20-Q23 VanDerWaalsContact O-N 3.09Å; L21-Q23 VanDerWaalsContact C-N 3.26Å; L21-Q23 PolarHBondContact O-N 3.15Å; Q23-Q25 PolarHBondContact O-N 3.3Å; Q23-E26 PolarHBondContact O-N 2.76Å |
| 24 | A | 43.5 | Very low | 50.3 | Low | 69 Ų | 69 | 120.1 Ų | 120.1 | 57% | 0.57 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | 2.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | K20 | K20-A24 WeakPolarHBondContact O-CB 3.39Å; K20-A24 PolarHBondContact O-N 3.19Å |
| 25 | Q | 37.8 | Very low | 48.7 | Very low | 173 Ų | 173 | 120.4 Ų | 120.4 | 81% | 0.808 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | 25.6 | 166.9 | -149.1 | -165.8 | -71.9 | 0 | 0 | 112.3 | Q23 | Q23-Q25 PolarHBondContact O-N 3.3Š|
| 26 | E | 43.8 | Very low | 47.3 | Very low | 139 Ų | 139 | 118.9 Ų | 118.9 | 65% | 0.65 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -89 | -8.1 | 163.9 | -82.9 | -175.9 | 152.2 | 0 | 0 | 113.5 | Q23 N28 | Q23-E26 PolarHBondContact O-N 2.76Å; E26-N28 PolarHBondContact O-N 3.39Å |
| 27 | D | 39.7 | Very low | 46.1 | Very low | 146 Ų | 146 | 118.6 Ų | 118.6 | 78% | 0.781 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.9 | 41.7 | -171 | -65.7 | -21.4 | 0 | 0 | 0 | 114.5 | ||
| 28 | N | 32.5 | Very low | 45.3 | Very low | 148 Ų | 148 | 117.4 Ų | 117.4 | 79% | 0.791 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -149.4 | 37.2 | 163.7 | -130.3 | -13.8 | 0 | 0 | 0 | 113.6 | E26 T30 | E26-N28 PolarHBondContact O-N 3.39Å; N28-T30 VanDerWaalsContact C-N 3.28Å; N28-T30 PolarHBondContact O-N 3.19Å; N28-T30 VanDerWaalsContact O-N 3.15Å |
| 29 | Y | 36.8 | Very low | 44.9 | Very low | 202 Ų | 202 | 115.6 Ų | 115.6 | 79% | 0.792 | 63% | 0.634 | S | S | * | * | trans | -70.9 | 102.8 | 146.6 | -64.9 | -80.7 | 0 | 0 | 0 | 105 | E31 | Y29-E31 PolarHBondContact O-N 2.89Š| ||
| 30 | T | 39 | Very low | 45 | Very low | 116 Ų | 116 | 117.6 Ų | 117.6 | 71% | 0.712 | 64% | 0.637 | S | S | * | * | trans | -31.3 | 118.2 | 150.5 | -56.8 | 0 | 0 | 0 | 0 | 105.9 | N28 D32 | N28-T30 VanDerWaalsContact C-N 3.28Å; N28-T30 PolarHBondContact O-N 3.19Å; N28-T30 VanDerWaalsContact O-N 3.15Å; T30-D32 PolarHBondContact O-N 3.47Å | ||
| 31 | E | 39.8 | Very low | 45.7 | Very low | 184 Ų | 184 | 113.9 Ų | 113.9 | 86% | 0.86 | 63% | 0.627 | S | S | * | * | trans | -61.7 | 71.2 | 164.6 | -167.2 | 178.2 | -164.1 | 0 | 0 | 105.3 | Y29 S33 | Y29-E31 PolarHBondContact O-N 2.89Å; E31-S33 PolarHBondContact O-N 3Å | ||
| 32 | D | 37.4 | Very low | 46.6 | Very low | 118 Ų | 118 | 112.1 Ų | 112.1 | 63% | 0.631 | 63% | 0.625 | S | S | * | * | trans | -59.6 | 99.5 | 149.2 | -164.8 | 14.5 | 0 | 0 | 0 | 100.5 | T30 T34 | T30-D32 PolarHBondContact O-N 3.47Å; D32-T34 HydrophobicContact CB-CG2 4.42Å; D32-T34 PolarHBondContact O-N 2.66Å; D32-T34 PolarHBondContact O-OG1 2.62Å | ||
| 33 | S | 39.2 | Very low | 47.9 | Very low | 89 Ų | 89 | 113 Ų | 113 | 62% | 0.622 | 62% | 0.618 | S | S | * | * | trans | -59.8 | 66.2 | 161.1 | 171.5 | 0 | 0 | 0 | 0 | 106.1 | E31 T35 | E31-S33 PolarHBondContact O-N 3Å; S33-T35 PolarHBondContact O-N 2.74Å; S33-T35 PolarHBondContact O-OG1 3.31Å | ||
| 34 | T | 43.6 | Very low | 48.9 | Very low | 99 Ų | 99 | 110.1 Ų | 110.1 | 61% | 0.607 | 61% | 0.61 | S | S | * | * | trans | -61.9 | 77.8 | 145 | 54.5 | 0 | 0 | 0 | 0 | 103.4 | D32 D36 | D32-T34 HydrophobicContact CB-CG2 4.42Å; D32-T34 PolarHBondContact O-N 2.66Å; D32-T34 PolarHBondContact O-OG1 2.62Å; T34-D36 PolarHBondContact O-N 3.45Å | ||
| 35 | T | 45.6 | Very low | 50.2 | Low | 88 Ų | 88 | 110.8 Ų | 110.8 | 54% | 0.54 | 61% | 0.607 | S | S | . | * | trans | -23.3 | 114.1 | 146.9 | -58.1 | 0 | 0 | 0 | 0 | 104.9 | S33 N37 | S33-T35 PolarHBondContact O-N 2.74Å; S33-T35 PolarHBondContact O-OG1 3.31Å; T35-N37 WeakPolarHBondContact O-CA 3.46Å; T35-N37 PolarHBondContact O-N 3.14Å; T35-N37 PolarHBondContact O-OD1 3.02Å | ||
| 36 | D | 48.5 | Very low | 51.3 | Low | 97 Ų | 97 | 109.8 Ų | 109.8 | 52% | 0.519 | 60% | 0.602 | S | S | . | * | trans | -50.2 | 95.2 | 171.7 | -78.9 | -52.2 | 0 | 0 | 0 | 105.4 | T34 T38 F59 N60 | T34-D36 PolarHBondContact O-N 3.45Å; D36-T38 PolarHBondContact O-N 2.61Å; D36-F59 HydrophobicContact CB-CE2 4.19Å; D36-N60 PolarHBondContact OD1-ND2 2.7Å | ||
| 37 | N | 50.8 | Low | 52.1 | Low | 113 Ų | 113 | 110.1 Ų | 110.1 | 60% | 0.604 | 60% | 0.602 | S | S | * | * | trans | -79.6 | 71.9 | -171.1 | -93.3 | 6.2 | 0 | 0 | 0 | 105.1 | T35 T39 | T35-N37 WeakPolarHBondContact O-CA 3.46Å; T35-N37 PolarHBondContact O-N 3.14Å; T35-N37 PolarHBondContact O-OD1 3.02Å; N37-T39 PolarHBondContact O-N 3.05Å | ||
| 38 | T | 57.7 | Low | 53.4 | Low | 73 Ų | 73 | 110 Ų | 110 | 45% | 0.448 | 60% | 0.601 | S | S | . | * | trans | -71.8 | 90.7 | 172.3 | -54.3 | 0 | 0 | 0 | 0 | 105.7 | D36 V40 T57 E58 | D36-T38 PolarHBondContact O-N 2.61Å; T38-V40 HydrophobicContact CG2-CG2 4.07Å; T38-T57 HydrophobicContact CG2-CG2 4.08Å; T38-E58 WeakPolarHBondContact CA-O 3.48Å | ||
| 39 | T | 60 | Low | 55.1 | Low | 70 Ų | 70 | 106 Ų | 106 | 43% | 0.429 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.4 | 109.2 | 176.3 | -55.9 | 0 | 0 | 0 | 0 | 107.1 | N37 E58 | N37-T39 PolarHBondContact O-N 3.05Å; T39-E58 PolarHBondContact N-O 3Å; T39-E58 PolarHBondContact O-N 2.81Å |
| 40 | V | 61 | Low | 56.2 | Low | 82 Ų | 82 | 98.1 Ų | 98.1 | 50% | 0.497 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101 | 112.3 | 173.5 | -175.1 | 0 | 0 | 0 | 0 | 108.1 | T38 T55 T56 T57 | T38-V40 HydrophobicContact CG2-CG2 4.07Å; V40-T55 HydrophobicContact CG1-CG2 3.82Å; V40-T56 WeakPolarHBondContact CA-O 3.35Å; V40-T57 HydrophobicContact CG2-CG2 4.24Å |
| 41 | T | 67.5 | Low | 57.7 | Low | 73 Ų | 73 | 93.9 Ų | 93.9 | 45% | 0.448 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 120.6 | 173.1 | -57.7 | 0 | 0 | 0 | 0 | 109 | T55 T56 | T41-T55 CarbonylContact O-C 3.6Å; T41-T55 WeakPolarHBondContact O-CA 3.19Å; T41-T56 PolarHBondContact N-O 3.48Å; T41-T56 PolarHBondContact O-N 3.43Å |
| 42 | S | 65.5 | Low | 58.7 | Low | 77 Ų | 77 | 87.2 Ų | 87.2 | 54% | 0.538 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 122.3 | 174.6 | -61.3 | 0 | 0 | 0 | 0 | 109.6 | S54 | S42-S54 CarbonylContact C-O 3.59Å; S42-S54 WeakPolarHBondContact CA-O 3.38Å |
| 43 | T | 70.3 | Confident | 60 | Low | 79 Ų | 79 | 83.6 Ų | 83.6 | 49% | 0.485 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 118 | 176.1 | -54.7 | 0 | 0 | 0 | 0 | 108.6 | T53 S54 | T43-T53 WeakPolarHBondContact O-CA 3.43Å; T43-S54 PolarHBondContact N-O 3.45Å; T43-S54 PolarHBondContact O-N 3.3Å |
| 44 | T | 67.7 | Low | 61.4 | Low | 77 Ų | 77 | 80.9 Ų | 80.9 | 47% | 0.472 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 121.7 | 173.6 | -60.3 | 0 | 0 | 0 | 0 | 109.3 | E46 T51 V52 T53 | T44-E46 HydrophobicContact CG2-CG 4.46Å; T44-T51 HydrophobicContact CG2-CG2 3.63Å; T44-V52 CarbonylContact C-O 3.57Å; T44-V52 WeakPolarHBondContact CA-O 3.37Å; T44-T53 PolarHBondContact OG1-OG1 3.37Å; T44-T53 VanDerWaalsContact OG1-OG1 3.09Å |
| 45 | T | 69.8 | Low | 62.7 | Low | 83 Ų | 83 | 78.2 Ų | 78.2 | 51% | 0.509 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 119 | 175.1 | -55.7 | 0 | 0 | 0 | 0 | 108.6 | V52 | T45-V52 PolarHBondContact N-O 3.37Å; T45-V52 PolarHBondContact O-N 3.4Å |
| 46 | E | 60.5 | Low | 63.7 | Low | 152 Ų | 152 | 76 Ų | 76 | 71% | 0.71 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 126.6 | 174 | -65.4 | -177 | 179.4 | 0 | 0 | 109.8 | T44 T51 | T44-E46 HydrophobicContact CG2-CG 4.46Å; E46-T51 HydrophobicContact CG-CG2 4.12Å |
| 47 | F | 60.6 | Low | 64.7 | Low | 147 Ų | 147 | 73.6 Ų | 73.6 | 65% | 0.645 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 109.9 | 173.2 | -173.4 | -100.6 | 0 | 0 | 0 | 110.5 | N49 T50 | F47-N49 PolarHBondContact O-N 3.19Å; F47-T50 PolarHBondContact N-O 3.23Å; F47-T50 PolarHBondContact O-N 3.02Å |
| 48 | N | 68.1 | Low | 65.3 | Low | 144 Ų | 144 | 72.4 Ų | 72.4 | 77% | 0.77 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | -91.6 | -175.8 | -69.6 | -27.3 | 0 | 0 | 0 | 113.2 | ||
| 49 | N | 67.7 | Low | 65.7 | Low | 64 Ų | 64 | 73.5 Ų | 73.5 | 34% | 0.342 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.7 | 8.4 | -171.9 | -75.4 | 71.5 | 0 | 0 | 0 | 111.1 | F47 F71 T72 K74 | F47-N49 PolarHBondContact O-N 3.19Å; N49-F71 CarbonylContact O-C 3.44Å; N49-F71 WeakPolarHBondContact O-CA 3.4Å; N49-T72 WeakPolarHBondContact CB-O 3.49Å; N49-T72 PolarHBondContact ND2-O 3.48Å; N49-T72 CarbonylContact O-C 3.42Å; N49-T72 WeakPolarHBondContact O-CA 3.41Å; N49-T72 PolarHBondContact O-N 3.03Å; N49-K74 PolarHBondContact ND2-N 3.27Å |
| 50 | T | 60.6 | Low | 65.8 | Low | 36 Ų | 36 | 74.4 Ų | 74.4 | 22% | 0.221 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 121.3 | -176.3 | -51.4 | 0 | 0 | 0 | 0 | 108.8 | F47 V52 T69 E70 F71 | F47-T50 PolarHBondContact N-O 3.23Å; F47-T50 PolarHBondContact O-N 3.02Å; T50-V52 HydrophobicContact CG2-CG2 4.03Å; T50-T69 HydrophobicContact CG2-CG2 3.5Å; T50-E70 CarbonylContact C-O 3.57Å; T50-E70 WeakPolarHBondContact CA-O 3.44Å; T50-F71 HydrophobicContact CG2-CD1 3.87Å; T50-F71 HydrophobicContact CG2-CE1 3.69Å; T50-F71 HydrophobicContact CG2-CZ 4.37Å; T50-F71 WeakPolarHBondContact OG1-CD1 3.34Å |
| 51 | T | 70.2 | Confident | 65.7 | Low | 26 Ų | 26 | 77.9 Ų | 77.9 | 16% | 0.16 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 119.9 | 171 | -59.1 | 0 | 0 | 0 | 0 | 107.7 | T44 E46 T69 E70 | T44-T51 HydrophobicContact CG2-CG2 3.63Å; E46-T51 HydrophobicContact CG-CG2 4.12Å; T51-T69 CarbonylContact O-C 3.59Å; T51-T69 WeakPolarHBondContact O-CA 3.25Å; T51-E70 PolarHBondContact N-O 3.42Å; T51-E70 PolarHBondContact O-N 3.05Å |
| 52 | V | 60 | Low | 65.2 | Low | 44 Ų | 44 | 78.1 Ų | 78.1 | 27% | 0.267 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 114.5 | 175.8 | -176.2 | 0 | 0 | 0 | 0 | 108 | T44 T45 T50 T67 T68 T69 | T44-V52 CarbonylContact C-O 3.57Å; T44-V52 WeakPolarHBondContact CA-O 3.37Å; T45-V52 PolarHBondContact N-O 3.37Å; T45-V52 PolarHBondContact O-N 3.4Å; T50-V52 HydrophobicContact CG2-CG2 4.03Å; V52-T67 HydrophobicContact CG1-CG2 3.59Å; V52-T68 CarbonylContact C-O 3.52Å; V52-T68 WeakPolarHBondContact CA-O 3.47Å; V52-T69 HydrophobicContact CG2-CG2 4.04Å |
| 53 | T | 65.5 | Low | 65.5 | Low | 42 Ų | 42 | 78.5 Ų | 78.5 | 26% | 0.258 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 115.6 | 174.5 | -62.9 | 0 | 0 | 0 | 0 | 108.8 | T43 T44 T67 T68 | T43-T53 WeakPolarHBondContact O-CA 3.43Å; T44-T53 PolarHBondContact OG1-OG1 3.37Å; T44-T53 VanDerWaalsContact OG1-OG1 3.09Å; T53-T67 WeakPolarHBondContact O-CA 3.45Å; T53-T68 PolarHBondContact N-O 3.45Å; T53-T68 PolarHBondContact O-N 3.06Å |
| 54 | S | 67.9 | Low | 65.2 | Low | 33 Ų | 33 | 78.4 Ų | 78.4 | 23% | 0.231 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 125.6 | 172.2 | -63.3 | 0 | 0 | 0 | 0 | 109.5 | S42 T43 S66 T67 | S42-S54 CarbonylContact C-O 3.59Å; S42-S54 WeakPolarHBondContact CA-O 3.38Å; T43-S54 PolarHBondContact N-O 3.45Å; T43-S54 PolarHBondContact O-N 3.3Å; S54-S66 CarbonylContact C-O 3.55Å; S54-S66 WeakPolarHBondContact CA-O 3.2Å; S54-T67 WeakPolarHBondContact OG-CG2 3.39Å; S54-T67 PolarHBondContact OG-OG1 3.25Å; S54-T67 VanDerWaalsContact OG-OG1 3.07Å |
| 55 | T | 70.8 | Confident | 65.1 | Low | 43 Ų | 43 | 78.7 Ų | 78.7 | 26% | 0.264 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 119 | 173.2 | -52.9 | 0 | 0 | 0 | 0 | 108.3 | V40 T41 T65 S66 | V40-T55 HydrophobicContact CG1-CG2 3.82Å; T41-T55 CarbonylContact O-C 3.6Å; T41-T55 WeakPolarHBondContact O-CA 3.19Å; T55-T65 CarbonylContact O-C 3.57Å; T55-T65 WeakPolarHBondContact O-CA 3.38Å; T55-S66 PolarHBondContact N-O 2.9Å; T55-S66 PolarHBondContact O-N 2.84Å |
| 56 | T | 66.5 | Low | 65 | Low | 41 Ų | 41 | 77.7 Ų | 77.7 | 25% | 0.252 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 119.8 | 172.7 | -61.6 | 0 | 0 | 0 | 0 | 108.7 | V40 T41 T63 V64 T65 | V40-T56 WeakPolarHBondContact CA-O 3.35Å; T41-T56 PolarHBondContact N-O 3.48Å; T41-T56 PolarHBondContact O-N 3.43Å; T56-T63 HydrophobicContact CG2-CG2 3.43Å; T56-T63 VanDerWaalsContact CG2-CG2 3.43Å; T56-V64 CarbonylContact C-O 3.59Å; T56-V64 WeakPolarHBondContact CA-O 2.94Å; T56-T65 WeakPolarHBondContact OG1-CG2 3.31Å; T56-T65 PolarHBondContact OG1-OG1 3.24Å |
| 57 | T | 69.5 | Low | 65.5 | Low | 46 Ų | 46 | 74.3 Ų | 74.3 | 28% | 0.282 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 118.9 | 174.1 | -57.2 | 0 | 0 | 0 | 0 | 108.3 | T38 V40 V64 | T38-T57 HydrophobicContact CG2-CG2 4.08Å; V40-T57 HydrophobicContact CG2-CG2 4.24Å; T57-V64 PolarHBondContact N-O 2.9Å; T57-V64 PolarHBondContact O-N 3.11Å |
| 58 | E | 63.2 | Low | 65.9 | Low | 88 Ų | 88 | 71.1 Ų | 71.1 | 41% | 0.411 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 122.9 | 169.9 | -166.9 | 172.6 | 175.8 | 0 | 0 | 109 | T38 T39 T62 | T38-E58 WeakPolarHBondContact CA-O 3.48Å; T39-E58 PolarHBondContact N-O 3Å; T39-E58 PolarHBondContact O-N 2.81Å; E58-T62 WeakPolarHBondContact CA-O 3.31Å |
| 59 | F | 67.5 | Low | 65.6 | Low | 96 Ų | 96 | 67 Ų | 67 | 42% | 0.421 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 120.4 | 176.4 | 177.9 | -99.1 | 0 | 0 | 0 | 109.2 | D36 N61 T62 | D36-F59 HydrophobicContact CB-CE2 4.19Å; F59-N61 VanDerWaalsContact C-N 3.33Å; F59-N61 PolarHBondContact O-N 3.04Å; F59-T62 PolarHBondContact N-O 3.41Å; F59-T62 WeakPolarHBondContact O-CA 3.4Å; F59-T62 VanDerWaalsContact O-CB 3.25Å; F59-T62 WeakPolarHBondContact O-CB 3.07Å; F59-T62 PolarHBondContact O-N 3.03Å |
| 60 | N | 62.1 | Low | 65.4 | Low | 90 Ų | 90 | 69.9 Ų | 69.9 | 48% | 0.481 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 43.6 | 57 | 176.6 | -68.6 | -16.3 | 0 | 0 | 0 | 112.8 | D36 T62 | D36-N60 PolarHBondContact OD1-ND2 2.7Å; N60-T62 PolarHBondContact O-N 3.01Å; N60-T62 VanDerWaalsContact O-N 3.11Å |
| 61 | N | 58.2 | Low | 65.1 | Low | 154 Ų | 154 | 74.8 Ų | 74.8 | 82% | 0.824 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | 9.3 | -179.4 | -57.2 | 23.2 | 0 | 0 | 0 | 115.1 | F59 | F59-N61 VanDerWaalsContact C-N 3.33Å; F59-N61 PolarHBondContact O-N 3.04Å |
| 62 | T | 57.9 | Low | 64.7 | Low | 79 Ų | 79 | 77.2 Ų | 77.2 | 49% | 0.485 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 116.7 | 171.9 | -54.5 | 0 | 0 | 0 | 0 | 108.8 | E58 F59 N60 V64 | E58-T62 WeakPolarHBondContact CA-O 3.31Å; F59-T62 PolarHBondContact N-O 3.41Å; F59-T62 WeakPolarHBondContact O-CA 3.4Å; F59-T62 VanDerWaalsContact O-CB 3.25Å; F59-T62 WeakPolarHBondContact O-CB 3.07Å; F59-T62 PolarHBondContact O-N 3.03Å; N60-T62 PolarHBondContact O-N 3.01Å; N60-T62 VanDerWaalsContact O-N 3.11Å; T62-V64 HydrophobicContact CG2-CG2 4.25Å |
| 63 | T | 71 | Confident | 64.1 | Low | 84 Ų | 84 | 81.2 Ų | 81.2 | 52% | 0.515 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 118.8 | 174.5 | -47.4 | 0 | 0 | 0 | 0 | 109.6 | T56 | T56-T63 HydrophobicContact CG2-CG2 3.43Å; T56-T63 VanDerWaalsContact CG2-CG2 3.43Å |
| 64 | V | 63.7 | Low | 63 | Low | 78 Ų | 78 | 86.9 Ų | 86.9 | 47% | 0.473 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 118 | 173.3 | -177.7 | 0 | 0 | 0 | 0 | 108.5 | T56 T57 T62 | T56-V64 CarbonylContact C-O 3.59Å; T56-V64 WeakPolarHBondContact CA-O 2.94Å; T57-V64 PolarHBondContact N-O 2.9Å; T57-V64 PolarHBondContact O-N 3.11Å; T62-V64 HydrophobicContact CG2-CG2 4.25Å |
| 65 | T | 65.8 | Low | 61.9 | Low | 82 Ų | 82 | 90 Ų | 90 | 50% | 0.503 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 123.1 | 174.7 | -59.1 | 0 | 0 | 0 | 0 | 109.7 | T55 T56 | T55-T65 CarbonylContact O-C 3.57Å; T55-T65 WeakPolarHBondContact O-CA 3.38Å; T56-T65 WeakPolarHBondContact OG1-CG2 3.31Å; T56-T65 PolarHBondContact OG1-OG1 3.24Å |
| 66 | S | 67.6 | Low | 60.5 | Low | 62 Ų | 62 | 95.9 Ų | 95.9 | 43% | 0.434 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 127.4 | 173.3 | -62.3 | 0 | 0 | 0 | 0 | 109.2 | S54 T55 | S54-S66 CarbonylContact C-O 3.55Å; S54-S66 WeakPolarHBondContact CA-O 3.2Å; T55-S66 PolarHBondContact N-O 2.9Å; T55-S66 PolarHBondContact O-N 2.84Å |
| 67 | T | 70.6 | Confident | 59.2 | Low | 82 Ų | 82 | 98.9 Ų | 98.9 | 50% | 0.503 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 121.2 | 177.1 | -59.5 | 0 | 0 | 0 | 0 | 109.5 | V52 T53 S54 | V52-T67 HydrophobicContact CG1-CG2 3.59Å; T53-T67 WeakPolarHBondContact O-CA 3.45Å; S54-T67 WeakPolarHBondContact OG-CG2 3.39Å; S54-T67 PolarHBondContact OG-OG1 3.25Å; S54-T67 VanDerWaalsContact OG-OG1 3.07Å |
| 68 | T | 70.1 | Confident | 57.7 | Low | 80 Ų | 80 | 103.1 Ų | 103.1 | 49% | 0.491 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.6 | 127.3 | 173.4 | -54.2 | 0 | 0 | 0 | 0 | 108.5 | V52 T53 E70 | V52-T68 CarbonylContact C-O 3.52Å; V52-T68 WeakPolarHBondContact CA-O 3.47Å; T53-T68 PolarHBondContact N-O 3.45Å; T53-T68 PolarHBondContact O-N 3.06Å; T68-E70 HydrophobicContact CG2-CG 4.34Å |
| 69 | T | 61.7 | Low | 56.5 | Low | 58 Ų | 58 | 105.1 Ų | 105.1 | 36% | 0.356 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.1 | 116.4 | 175.4 | -57.7 | 0 | 0 | 0 | 0 | 108.8 | T50 T51 V52 F71 | T50-T69 HydrophobicContact CG2-CG2 3.5Å; T51-T69 CarbonylContact O-C 3.59Å; T51-T69 WeakPolarHBondContact O-CA 3.25Å; V52-T69 HydrophobicContact CG2-CG2 4.04Å; T69-F71 HydrophobicContact CG2-CD2 4.38Å; T69-F71 HydrophobicContact CG2-CE1 4.23Å; T69-F71 HydrophobicContact CG2-CE2 3.78Å; T69-F71 HydrophobicContact CG2-CZ 3.7Å |
| 70 | E | 62.6 | Low | 54.9 | Low | 123 Ų | 123 | 105.2 Ų | 105.2 | 58% | 0.575 | 58% | 0.577 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -104.6 | 126.5 | 174.3 | -67.1 | -176 | -179 | 0 | 0 | 109.3 | T50 T51 T68 | T50-E70 CarbonylContact C-O 3.57Å; T50-E70 WeakPolarHBondContact CA-O 3.44Å; T51-E70 PolarHBondContact N-O 3.42Å; T51-E70 PolarHBondContact O-N 3.05Å; T68-E70 HydrophobicContact CG2-CG 4.34Å |
| 71 | F | 55.3 | Low | 53.4 | Low | 139 Ų | 139 | 107.2 Ų | 107.2 | 61% | 0.61 | 59% | 0.593 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -96.5 | 102.9 | 171.8 | -62.3 | -83.6 | 0 | 0 | 0 | 108.2 | N49 T50 T69 N73 | N49-F71 CarbonylContact O-C 3.44Å; N49-F71 WeakPolarHBondContact O-CA 3.4Å; T50-F71 HydrophobicContact CG2-CD1 3.87Å; T50-F71 HydrophobicContact CG2-CE1 3.69Å; T50-F71 HydrophobicContact CG2-CZ 4.37Å; T50-F71 WeakPolarHBondContact OG1-CD1 3.34Å; T69-F71 HydrophobicContact CG2-CD2 4.38Å; T69-F71 HydrophobicContact CG2-CE1 4.23Å; T69-F71 HydrophobicContact CG2-CE2 3.78Å; T69-F71 HydrophobicContact CG2-CZ 3.7Å; F71-N73 VanDerWaalsContact C-N 3.26Å; F71-N73 PolarHBondContact O-N 3.13Å |
| 72 | T | 60.5 | Low | 52.3 | Low | 77 Ų | 77 | 104.7 Ų | 104.7 | 47% | 0.472 | 58% | 0.583 | S | S | . | * | trans | -76.1 | 87.2 | 162.8 | -51 | 0 | 0 | 0 | 0 | 107.4 | N49 K74 | N49-T72 WeakPolarHBondContact CB-O 3.49Å; N49-T72 PolarHBondContact ND2-O 3.48Å; N49-T72 CarbonylContact O-C 3.42Å; N49-T72 WeakPolarHBondContact O-CA 3.41Å; N49-T72 PolarHBondContact O-N 3.03Å; T72-K74 HydrophobicContact CG2-CB 4.36Å; T72-K74 PolarHBondContact O-N 3.42Å | ||
| 73 | N | 48.2 | Very low | 51.4 | Low | 128 Ų | 128 | 108.1 Ų | 108.1 | 68% | 0.684 | 60% | 0.598 | S | S | * | * | trans | -65.7 | 70.1 | 160.1 | -98.5 | -12.6 | 0 | 0 | 0 | 108 | F71 P75 | F71-N73 VanDerWaalsContact C-N 3.26Å; F71-N73 PolarHBondContact O-N 3.13Å; N73-P75 WeakPolarHBondContact O-CD 3.36Å | ||
| 74 | K | 43 | Very low | 49.7 | Very low | 162 Ų | 162 | 108.1 Ų | 108.1 | 70% | 0.704 | 62% | 0.615 | S | S | * | * | trans | -56.6 | 113.8 | 161.8 | -160 | 178.6 | -172.5 | -175.7 | 0 | 103.8 | N49 T72 K76 | N49-K74 PolarHBondContact ND2-N 3.27Å; T72-K74 HydrophobicContact CG2-CB 4.36Å; T72-K74 PolarHBondContact O-N 3.42Å; K74-K76 PolarHBondContact O-N 3.47Å | ||
| 75 | P | 43.3 | Very low | 48.2 | Very low | 98 Ų | 98 | 108.6 Ų | 108.6 | 64% | 0.636 | 62% | 0.618 | S | S | * | * | trans | -55.4 | 118.6 | 178.4 | 21.2 | -29.7 | 0 | 0 | 0 | 105.2 | N73 V77 | N73-P75 WeakPolarHBondContact O-CD 3.36Å; P75-V77 HydrophobicContact CG-CG2 4.46Å; P75-V77 PolarHBondContact O-N 3.03Å | ||
| 76 | K | 41.3 | Very low | 46.6 | Very low | 166 Ų | 166 | 111.3 Ų | 111.3 | 72% | 0.722 | 64% | 0.635 | S | S | * | * | trans | -59.3 | 100.4 | 156.1 | -172 | -173.3 | 179.1 | -166.9 | 0 | 101.8 | K74 E78 | K74-K76 PolarHBondContact O-N 3.47Å; K76-E78 HydrophobicContact CD-CG 3.87Å; K76-E78 VanDerWaalsContact CE-OE1 3.26Å; K76-E78 WeakPolarHBondContact CE-OE1 3.47Å; K76-E78 HydrophobicContact CG-CG 4.05Å; K76-E78 IonicContact NZ-OE1 2.67Å; K76-E78 PolarHBondContact NZ-OE1 3.12Å; K76-E78 PolarHBondContact O-N 3.24Å | ||
| 77 | V | 41 | Very low | 44.8 | Very low | 105 Ų | 105 | 117.3 Ų | 117.3 | 64% | 0.636 | 65% | 0.649 | S | S | * | * | trans | -68.8 | 78.6 | 171 | -165.3 | 0 | 0 | 0 | 0 | 103.6 | P75 N79 | P75-V77 HydrophobicContact CG-CG2 4.46Å; P75-V77 PolarHBondContact O-N 3.03Å; V77-N79 WeakPolarHBondContact CG1-OD1 3.47Å; V77-N79 PolarHBondContact O-N 3.36Å | ||
| 78 | E | 37.6 | Very low | 43 | Very low | 135 Ų | 135 | 119.6 Ų | 119.6 | 63% | 0.631 | 66% | 0.663 | S | S | * | * | trans | -65.5 | 96.9 | 153.9 | -79.3 | -179.4 | 175.6 | 0 | 0 | 102.8 | K76 S80 | K76-E78 HydrophobicContact CD-CG 3.87Å; K76-E78 VanDerWaalsContact CE-OE1 3.26Å; K76-E78 WeakPolarHBondContact CE-OE1 3.47Å; K76-E78 HydrophobicContact CG-CG 4.05Å; K76-E78 IonicContact NZ-OE1 2.67Å; K76-E78 PolarHBondContact NZ-OE1 3.12Å; K76-E78 PolarHBondContact O-N 3.24Å; E78-S80 PolarHBondContact O-N 3.39Å | ||
| 79 | N | 38 | Very low | 41.2 | Very low | 129 Ų | 129 | 122 Ų | 122 | 69% | 0.69 | 68% | 0.678 | S | S | * | * | trans | -58.4 | 81.3 | 163.1 | -72.4 | 30.7 | 0 | 0 | 0 | 106.5 | V77 T81 | V77-N79 WeakPolarHBondContact CG1-OD1 3.47Å; V77-N79 PolarHBondContact O-N 3.36Å; N79-T81 PolarHBondContact O-N 3Å | ||
| 80 | S | 34.2 | Very low | 39.8 | Very low | 99 Ų | 99 | 125.5 Ų | 125.5 | 69% | 0.692 | 70% | 0.699 | S | S | * | * | trans | -75.9 | 91.9 | 163.3 | -166.5 | 0 | 0 | 0 | 0 | 105.4 | E78 T82 | E78-S80 PolarHBondContact O-N 3.39Å; S80-T82 VanDerWaalsContact C-N 3.29Å; S80-T82 PolarHBondContact O-N 3.1Å; S80-T82 PolarHBondContact OG-OG1 2.82Å | ||
| 81 | T | 30.5 | Very low | 38.8 | Very low | 132 Ų | 132 | 124.9 Ų | 124.9 | 81% | 0.81 | 71% | 0.706 | S | S | * | * | trans | -68.7 | 95.4 | 170.6 | -39.9 | 0 | 0 | 0 | 0 | 105.7 | N79 | N79-T81 PolarHBondContact O-N 3Š| ||
| 82 | T | 34.9 | Very low | 37.9 | Very low | 101 Ų | 101 | 123.7 Ų | 123.7 | 62% | 0.62 | 72% | 0.715 | S | S | * | * | trans | -129.4 | 97.5 | 168.5 | -43.9 | 0 | 0 | 0 | 0 | 106.3 | S80 G84 | S80-T82 VanDerWaalsContact C-N 3.29Å; S80-T82 PolarHBondContact O-N 3.1Å; S80-T82 PolarHBondContact OG-OG1 2.82Å; T82-G84 PolarHBondContact O-N 2.86Å | ||
| 83 | D | 37.6 | Very low | 36.8 | Very low | 151 Ų | 151 | 128.3 Ų | 128.3 | 81% | 0.807 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 32.4 | 81.5 | 166.4 | -62.7 | -24.4 | 0 | 0 | 0 | 116.5 | T85 | D83-T85 PolarHBondContact O-N 3.07Š|
| 84 | G | 36.3 | Very low | 36.2 | Very low | 84 Ų | 84 | 130.7 Ų | 130.7 | 87% | 0.866 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 81.4 | 4.2 | 140.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | T82 | T82-G84 PolarHBondContact O-N 2.86Š|
| 85 | T | 31.3 | Very low | 35.9 | Very low | 88 Ų | 88 | 127.3 Ų | 127.3 | 54% | 0.54 | 73% | 0.733 | S | S | . | * | trans | -138.2 | 112.9 | 171.7 | 34.4 | 0 | 0 | 0 | 0 | 112.7 | D83 Y87 | D83-T85 PolarHBondContact O-N 3.07Å; T85-Y87 WeakPolarHBondContact O-CD2 3.36Å; T85-Y87 PolarHBondContact O-N 2.96Å; T85-Y87 WeakPolarHBondContact OG1-CE2 3.35Å | ||
| 86 | T | 32.2 | Very low | 35.8 | Very low | 139 Ų | 139 | 127.8 Ų | 127.8 | 85% | 0.853 | 73% | 0.734 | S | S | * | * | trans | -81.2 | 112.1 | 175 | -50.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 87 | Y | 30.5 | Very low | 35.6 | Very low | 187 Ų | 187 | 125.4 Ų | 125.4 | 73% | 0.733 | 74% | 0.738 | S | S | * | * | trans | -100.7 | 118.6 | 170.9 | -63.2 | -85.7 | 0 | 0 | 0 | 109.5 | T85 | T85-Y87 WeakPolarHBondContact O-CD2 3.36Å; T85-Y87 PolarHBondContact O-N 2.96Å; T85-Y87 WeakPolarHBondContact OG1-CE2 3.35Å | ||
| 88 | T | 32.2 | Very low | 35.8 | Very low | 130 Ų | 130 | 126.3 Ų | 126.3 | 80% | 0.798 | 74% | 0.744 | S | S | * | * | trans | -96.1 | 105.2 | 173.1 | -5 | 0 | 0 | 0 | 0 | 109 | ||||
| 89 | T | 33.4 | Very low | 36 | Very low | 130 Ų | 130 | 125.4 Ų | 125.4 | 80% | 0.798 | 75% | 0.752 | S | S | * | * | trans | -96.8 | 107.8 | 168.2 | 34 | 0 | 0 | 0 | 0 | 109.1 | P91 | T89-P91 WeakPolarHBondContact O-CD 3.5Š| ||
| 90 | T | 32.3 | Very low | 36.4 | Very low | 132 Ų | 132 | 124.6 Ų | 124.6 | 81% | 0.81 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 121.9 | 173.7 | 42.8 | 0 | 0 | 0 | 0 | 110.5 | ||
| 91 | P | 40.8 | Very low | 36.9 | Very low | 111 Ų | 111 | 126.7 Ų | 126.7 | 72% | 0.721 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 139.9 | 177.3 | -10.7 | 27.1 | 0 | 0 | 0 | 111.9 | T89 | T89-P91 WeakPolarHBondContact O-CD 3.5Š|
| 92 | S | 37.3 | Very low | 37.8 | Very low | 114 Ų | 114 | 124.4 Ų | 124.4 | 80% | 0.797 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 134.5 | -178.7 | 64.9 | 0 | 0 | 0 | 0 | 112.9 | F94 | S92-F94 PolarHBondContact O-N 3.19Š|
| 93 | H | 36.6 | Very low | 38.6 | Very low | 173 Ų | 173 | 122.1 Ų | 122.1 | 80% | 0.801 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 117.4 | 172.6 | -148.3 | -95.2 | 0 | 0 | 0 | 110.8 | S95 | H93-S95 PolarHBondContact ND1-OG 3.32Š|
| 94 | F | 35.7 | Very low | 39.5 | Very low | 178 Ų | 178 | 119.3 Ų | 119.3 | 78% | 0.781 | 72% | 0.718 | S | S | * | * | trans | -104.1 | 105.7 | 169.7 | -158.1 | -94.6 | 0 | 0 | 0 | 108.4 | S92 | S92-F94 PolarHBondContact O-N 3.19Š| ||
| 95 | S | 38 | Very low | 40.3 | Very low | 92 Ų | 92 | 119.2 Ų | 119.2 | 64% | 0.643 | 70% | 0.698 | S | S | * | * | trans | -85.6 | 112 | 174 | -65.5 | 0 | 0 | 0 | 0 | 108.8 | H93 | H93-S95 PolarHBondContact ND1-OG 3.32Š| ||
| 96 | T | 40 | Very low | 41.6 | Very low | 107 Ų | 107 | 117.3 Ų | 117.3 | 66% | 0.656 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 130.6 | 177.2 | -25.4 | 0 | 0 | 0 | 0 | 110.1 | ||
| 97 | S | 37.7 | Very low | 43.1 | Very low | 117 Ų | 117 | 118.3 Ų | 118.3 | 82% | 0.818 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 129.3 | -175.5 | -51 | 0 | 0 | 0 | 0 | 113.1 | S99 | S97-S99 PolarHBondContact O-N 3.48Š|
| 98 | T | 44.1 | Very low | 44.8 | Very low | 123 Ų | 123 | 116.7 Ų | 116.7 | 76% | 0.755 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 117 | 171.5 | -43.7 | 0 | 0 | 0 | 0 | 110.3 | T100 | T98-T100 PolarHBondContact O-N 3.21Š|
| 99 | S | 42 | Very low | 46.5 | Very low | 116 Ų | 116 | 115.2 Ų | 115.2 | 81% | 0.811 | 66% | 0.662 | S | S | * | * | trans | -87.4 | 95.8 | 165.9 | 58.5 | 0 | 0 | 0 | 0 | 109.3 | S97 N101 | S97-S99 PolarHBondContact O-N 3.48Å; S99-N101 PolarHBondContact O-N 3.37Å | ||
| 100 | T | 47.3 | Very low | 48.5 | Very low | 112 Ų | 112 | 117.4 Ų | 117.4 | 69% | 0.687 | 66% | 0.655 | S | S | * | * | trans | -70 | 115.4 | 166 | -49.8 | 0 | 0 | 0 | 0 | 106.8 | T98 D102 | T98-T100 PolarHBondContact O-N 3.21Å; T100-D102 PolarHBondContact O-N 3.25Å | ||
| 101 | N | 45 | Very low | 50.7 | Low | 144 Ų | 144 | 115.1 Ų | 115.1 | 77% | 0.77 | 64% | 0.637 | S | S | * | * | trans | -71.9 | 73.8 | 175.9 | -168 | -6.3 | 0 | 0 | 0 | 109.1 | S99 A103 | S99-N101 PolarHBondContact O-N 3.37Å; N101-A103 PolarHBondContact O-N 2.8Å | ||
| 102 | D | 49.1 | Very low | 52.5 | Low | 84 Ų | 84 | 116 Ų | 116 | 45% | 0.449 | 63% | 0.63 | S | S | . | * | trans | -80.9 | 48.4 | -177 | -160.4 | 12.9 | 0 | 0 | 0 | 111.6 | T100 T104 N105 | T100-D102 PolarHBondContact O-N 3.25Å; D102-T104 VanDerWaalsContact C-N 3.27Å; D102-N105 VanDerWaalsContact CG-CB 3.42Å; D102-N105 WeakPolarHBondContact OD1-CB 3.47Å; D102-N105 PolarHBondContact OD1-N 2.82Å; D102-N105 WeakPolarHBondContact OD2-CB 3.47Å; D102-N105 PolarHBondContact OD2-ND2 3.02Å | ||
| 103 | A | 52.1 | Low | 54.5 | Low | 52 Ų | 52 | 117.6 Ų | 117.6 | 43% | 0.43 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -74.3 | -19.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | N101 | N101-A103 PolarHBondContact O-N 2.8Å |
| 104 | T | 54.8 | Low | 56.5 | Low | 92 Ų | 92 | 114.9 Ų | 114.9 | 56% | 0.564 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -77.9 | -42 | -179.7 | 50.5 | 0 | 0 | 0 | 0 | 111.8 | D102 S106 K107 F108 | D102-T104 VanDerWaalsContact C-N 3.27Å; T104-S106 VanDerWaalsContact C-N 3.32Å; T104-S106 PolarHBondContact O-N 2.81Å; T104-K107 PolarHBondContact O-N 2.82Å; T104-F108 PolarHBondContact O-N 3.09Å |
| 105 | N | 53.9 | Low | 58.7 | Low | 83 Ų | 83 | 110.5 Ų | 110.5 | 44% | 0.444 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -63.4 | -37.3 | 179.7 | -169.5 | 0.7 | 0 | 0 | 0 | 112.2 | D102 K107 F108 Q109 | D102-N105 VanDerWaalsContact CG-CB 3.42Å; D102-N105 WeakPolarHBondContact OD1-CB 3.47Å; D102-N105 PolarHBondContact OD1-N 2.82Å; D102-N105 WeakPolarHBondContact OD2-CB 3.47Å; D102-N105 PolarHBondContact OD2-ND2 3.02Å; N105-K107 VanDerWaalsContact C-N 3.28Å; N105-K107 PolarHBondContact O-N 2.79Å; N105-F108 PolarHBondContact O-N 2.78Å; N105-Q109 VanDerWaalsContact O-CB 3.31Å; N105-Q109 WeakPolarHBondContact O-CB 3.42Å; N105-Q109 PolarHBondContact O-N 2.82Å |
| 106 | S | 59.4 | Low | 60.7 | Low | 48 Ų | 48 | 109.1 Ų | 109.1 | 34% | 0.336 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -60.6 | -34.6 | 177.5 | -166.3 | 0 | 0 | 0 | 0 | 113.3 | T104 R110 | T104-S106 VanDerWaalsContact C-N 3.32Å; T104-S106 PolarHBondContact O-N 2.81Å; S106-R110 WeakPolarHBondContact O-CB 3.4Å; S106-R110 WeakPolarHBondContact O-CG 3.19Å; S106-R110 PolarHBondContact O-N 3.38Å |
| 107 | K | 63.2 | Low | 62.7 | Low | 159 Ų | 159 | 106 Ų | 106 | 69% | 0.691 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -74.3 | -45.1 | -179.9 | -67.1 | -178.9 | -176.4 | 178.6 | 0 | 111.8 | T104 N105 Q109 R110 I111 | T104-K107 PolarHBondContact O-N 2.82Å; N105-K107 VanDerWaalsContact C-N 3.28Å; N105-K107 PolarHBondContact O-N 2.79Å; K107-Q109 VanDerWaalsContact C-N 3.35Å; K107-R110 PolarHBondContact O-N 3.41Å; K107-I111 PolarHBondContact O-N 2.94Å; K107-I111 VanDerWaalsContact O-N 3.1Å |
| 108 | F | 65.2 | Low | 64.7 | Low | 154 Ų | 154 | 105.4 Ų | 105.4 | 68% | 0.675 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64 | -41.1 | 177.7 | -83.8 | -75.8 | 0 | 0 | 0 | 112 | T104 N105 R110 I111 F112 | T104-F108 PolarHBondContact O-N 3.09Å; N105-F108 PolarHBondContact O-N 2.78Å; F108-R110 VanDerWaalsContact C-N 3.34Å; F108-R110 PolarHBondContact O-N 2.8Å; F108-I111 WeakPolarHBondContact O-CG2 3.18Å; F108-I111 PolarHBondContact O-N 3.24Å; F108-F112 WeakPolarHBondContact O-CB 3.45Å; F108-F112 PolarHBondContact O-N 3.07Å |
| 109 | Q | 69.7 | Low | 66.5 | Low | 98 Ų | 98 | 104.7 Ų | 104.7 | 46% | 0.458 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.4 | -41.1 | 176.8 | -170.5 | 174.1 | 34 | 0 | 0 | 111.7 | N105 K107 F112 Y113 | N105-Q109 VanDerWaalsContact O-CB 3.31Å; N105-Q109 WeakPolarHBondContact O-CB 3.42Å; N105-Q109 PolarHBondContact O-N 2.82Å; K107-Q109 VanDerWaalsContact C-N 3.35Å; Q109-F112 PolarHBondContact O-N 2.85Å; Q109-Y113 HydrophobicContact CG-CD2 3.79Å; Q109-Y113 HydrophobicContact CG-CE2 3.36Å; Q109-Y113 WeakPolarHBondContact O-CD2 3.39Å; Q109-Y113 PolarHBondContact O-N 2.73Å; Q109-Y113 VanDerWaalsContact O-N 3.13Å |
| 110 | R | 73.4 | Confident | 67.9 | Low | 176 Ų | 176 | 102.2 Ų | 102.2 | 66% | 0.664 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.5 | -44.5 | 176.7 | -76.8 | 174 | -172 | -154 | 1.6 | 113.1 | S106 K107 F108 M114 | S106-R110 WeakPolarHBondContact O-CB 3.4Å; S106-R110 WeakPolarHBondContact O-CG 3.19Å; S106-R110 PolarHBondContact O-N 3.38Å; K107-R110 PolarHBondContact O-N 3.41Å; F108-R110 VanDerWaalsContact C-N 3.34Å; F108-R110 PolarHBondContact O-N 2.8Å; R110-M114 PolarHBondContact O-N 2.83Å; R110-M114 VanDerWaalsContact O-N 3.12Å |
| 111 | I | 79 | Confident | 69.2 | Low | 84 Ų | 84 | 102.8 Ų | 102.8 | 43% | 0.431 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68 | -38.6 | 179.6 | -168.4 | 65.1 | 0 | 0 | 0 | 111.3 | K107 F108 Y113 M114 I115 | K107-I111 PolarHBondContact O-N 2.94Å; K107-I111 VanDerWaalsContact O-N 3.1Å; F108-I111 WeakPolarHBondContact O-CG2 3.18Å; F108-I111 PolarHBondContact O-N 3.24Å; I111-Y113 PolarHBondContact O-N 2.8Å; I111-M114 HydrophobicContact CD1-CE 4.26Å; I111-M114 PolarHBondContact O-N 2.8Å; I111-I115 HydrophobicContact CG1-CD1 4.08Å; I111-I115 WeakPolarHBondContact O-CG1 3.05Å; I111-I115 PolarHBondContact O-N 2.8Å |
| 112 | F | 79.3 | Confident | 70.4 | Confident | 129 Ų | 129 | 103 Ų | 103 | 57% | 0.566 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -59.6 | -48.2 | 176.9 | -177.7 | -97.5 | 0 | 0 | 0 | 111.8 | F108 Q109 M114 I115 V116 | F108-F112 WeakPolarHBondContact O-CB 3.45Å; F108-F112 PolarHBondContact O-N 3.07Å; Q109-F112 PolarHBondContact O-N 2.85Å; F112-M114 VanDerWaalsContact C-N 3.33Å; F112-M114 PolarHBondContact O-N 2.81Å; F112-I115 PolarHBondContact O-N 3.39Å; F112-V116 HydrophobicContact CD1-CG2 4.27Å; F112-V116 HydrophobicContact CE1-CG2 3.88Å; F112-V116 HydrophobicContact CE2-CG2 4.33Å; F112-V116 HydrophobicContact CZ-CG2 3.92Å; F112-V116 WeakPolarHBondContact O-CG2 3.26Å; F112-V116 PolarHBondContact O-N 3.47Å |
| 113 | Y | 79.4 | Confident | 71.2 | Confident | 148 Ų | 148 | 103 Ų | 103 | 58% | 0.58 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.4 | -34.4 | 177.2 | -73.8 | -58.1 | 0 | 0 | 0 | 113.3 | Q109 I111 G117 | Q109-Y113 HydrophobicContact CG-CD2 3.79Å; Q109-Y113 HydrophobicContact CG-CE2 3.36Å; Q109-Y113 WeakPolarHBondContact O-CD2 3.39Å; Q109-Y113 PolarHBondContact O-N 2.73Å; Q109-Y113 VanDerWaalsContact O-N 3.13Å; I111-Y113 PolarHBondContact O-N 2.8Å; Y113-G117 PolarHBondContact O-N 2.9Å |
| 114 | M | 79 | Confident | 71.8 | Confident | 117 Ų | 117 | 107.4 Ų | 107.4 | 58% | 0.576 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.5 | -45.3 | 173.5 | -92.3 | -162.3 | -79.4 | 0 | 0 | 111.8 | R110 I111 F112 G117 L118 | R110-M114 PolarHBondContact O-N 2.83Å; R110-M114 VanDerWaalsContact O-N 3.12Å; I111-M114 HydrophobicContact CD1-CE 4.26Å; I111-M114 PolarHBondContact O-N 2.8Å; F112-M114 VanDerWaalsContact C-N 3.33Å; F112-M114 PolarHBondContact O-N 2.81Å; M114-G117 PolarHBondContact O-N 3.02Å; M114-L118 VanDerWaalsContact O-CG 3.31Å; M114-L118 WeakPolarHBondContact O-CG 3.42Å; M114-L118 PolarHBondContact O-N 3.35Å |
| 115 | I | 81.8 | Confident | 71.3 | Confident | 86 Ų | 86 | 112.9 Ų | 112.9 | 44% | 0.441 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.8 | -47.7 | -179.5 | -65.5 | 166.2 | 0 | 0 | 0 | 110.8 | I111 F112 G117 L118 I119 | I111-I115 HydrophobicContact CG1-CD1 4.08Å; I111-I115 WeakPolarHBondContact O-CG1 3.05Å; I111-I115 PolarHBondContact O-N 2.8Å; F112-I115 PolarHBondContact O-N 3.39Å; I115-G117 VanDerWaalsContact C-N 3.29Å; I115-G117 PolarHBondContact O-N 2.9Å; I115-L118 PolarHBondContact O-N 2.83Å; I115-I119 HydrophobicContact CG2-CD1 3.77Å; I115-I119 HydrophobicContact CG2-CG1 4.46Å; I115-I119 WeakPolarHBondContact O-CG1 3.43Å; I115-I119 PolarHBondContact O-N 2.7Å |
| 116 | V | 79.8 | Confident | 72.2 | Confident | 63 Ų | 63 | 114.4 Ų | 114.4 | 38% | 0.382 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -61.5 | -39.3 | 179 | 174.1 | 0 | 0 | 0 | 0 | 111.4 | F112 S120 | F112-V116 HydrophobicContact CD1-CG2 4.27Å; F112-V116 HydrophobicContact CE1-CG2 3.88Å; F112-V116 HydrophobicContact CE2-CG2 4.33Å; F112-V116 HydrophobicContact CZ-CG2 3.92Å; F112-V116 WeakPolarHBondContact O-CG2 3.26Å; F112-V116 PolarHBondContact O-N 3.47Å; V116-S120 WeakPolarHBondContact O-CB 3.44Å; V116-S120 PolarHBondContact O-N 2.99Å; V116-S120 PolarHBondContact O-OG 2.67Å |
| 117 | G | 81.8 | Confident | 72.8 | Confident | 41 Ų | 41 | 117.8 Ų | 117.8 | 42% | 0.423 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -63.4 | -42.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y113 M114 I115 S120 L121 | Y113-G117 PolarHBondContact O-N 2.9Å; M114-G117 PolarHBondContact O-N 3.02Å; I115-G117 VanDerWaalsContact C-N 3.29Å; I115-G117 PolarHBondContact O-N 2.9Å; G117-S120 PolarHBondContact O-N 2.7Å; G117-L121 PolarHBondContact O-N 3.49Å |
| 118 | L | 79.9 | Confident | 73.4 | Confident | 104 Ų | 104 | 115.6 Ų | 115.6 | 55% | 0.545 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -66.5 | -41.4 | 178.3 | -72.9 | 169.2 | 0 | 0 | 0 | 112.5 | M114 I115 S120 L121 M122 | M114-L118 VanDerWaalsContact O-CG 3.31Å; M114-L118 WeakPolarHBondContact O-CG 3.42Å; M114-L118 PolarHBondContact O-N 3.35Å; I115-L118 PolarHBondContact O-N 2.83Å; L118-S120 VanDerWaalsContact C-N 3.34Å; L118-L121 PolarHBondContact O-N 2.79Å; L118-M122 PolarHBondContact O-N 3Å |
| 119 | I | 80.6 | Confident | 73.9 | Confident | 109 Ų | 109 | 113.3 Ų | 113.3 | 56% | 0.559 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -63.9 | -43.1 | 176.5 | -63.6 | 164.1 | 0 | 0 | 0 | 110.2 | I115 L121 M122 A123 | I115-I119 HydrophobicContact CG2-CD1 3.77Å; I115-I119 HydrophobicContact CG2-CG1 4.46Å; I115-I119 WeakPolarHBondContact O-CG1 3.43Å; I115-I119 PolarHBondContact O-N 2.7Å; I119-L121 VanDerWaalsContact C-N 3.27Å; I119-L121 PolarHBondContact O-N 2.91Å; I119-M122 PolarHBondContact O-N 2.97Å; I119-A123 PolarHBondContact O-N 2.7Å |
| 120 | S | 72.4 | Confident | 74.1 | Confident | 64 Ų | 64 | 114.3 Ų | 114.3 | 45% | 0.448 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -63.2 | -34.8 | 178.3 | -56.9 | 0 | 0 | 0 | 0 | 112.1 | V116 G117 L118 | V116-S120 WeakPolarHBondContact O-CB 3.44Å; V116-S120 PolarHBondContact O-N 2.99Å; V116-S120 PolarHBondContact O-OG 2.67Å; G117-S120 PolarHBondContact O-N 2.7Å; L118-S120 VanDerWaalsContact C-N 3.34Å |
| 121 | L | 74.9 | Confident | 74.2 | Confident | 123 Ų | 123 | 110.1 Ų | 110.1 | 64% | 0.644 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -70.1 | -40 | 175.9 | -172.1 | 66.5 | 0 | 0 | 0 | 112 | G117 L118 I119 A123 I124 | G117-L121 PolarHBondContact O-N 3.49Å; L118-L121 PolarHBondContact O-N 2.79Å; I119-L121 VanDerWaalsContact C-N 3.27Å; I119-L121 PolarHBondContact O-N 2.91Å; L121-A123 VanDerWaalsContact C-N 3.31Å; L121-A123 PolarHBondContact O-N 3.21Å; L121-I124 PolarHBondContact O-N 3.44Å |
| 122 | M | 69.4 | Low | 73.8 | Confident | 150 Ų | 150 | 112 Ų | 112 | 74% | 0.739 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -68.2 | -29.4 | 176.6 | -71.4 | -168.2 | -177.5 | 0 | 0 | 113 | L118 I119 I124 | L118-M122 PolarHBondContact O-N 3Å; I119-M122 PolarHBondContact O-N 2.97Å; M122-I124 VanDerWaalsContact C-N 3.28Å; M122-I124 PolarHBondContact O-N 3.34Å |
| 123 | A | 66.3 | Low | 73.4 | Confident | 83 Ų | 83 | 110.7 Ų | 110.7 | 69% | 0.686 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -14.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | I119 L121 | I119-A123 PolarHBondContact O-N 2.7Å; L121-A123 VanDerWaalsContact C-N 3.31Å; L121-A123 PolarHBondContact O-N 3.21Å |
| 124 | I | 63.8 | Low | 72.9 | Confident | 144 Ų | 144 | 107.6 Ų | 107.6 | 74% | 0.738 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | -14.3 | 179.5 | -68.3 | 168.9 | 0 | 0 | 0 | 111.9 | L121 M122 | L121-I124 PolarHBondContact O-N 3.44Å; M122-I124 VanDerWaalsContact C-N 3.28Å; M122-I124 PolarHBondContact O-N 3.34Å |
| 125 | N | 45.3 | Very low | 72.4 | Confident | 207 Ų | 207 | 106.7 Ų | 106.7 | 100% | 1.107 | 61% | 0.61 | S | S | * | * | trans | -103.4 | 0 | 179.5 | -123.9 | 33.5 | 0 | 0 | 0 | 111.6 |
Retrieved 125 of 125 residues in 65.3 ms
(Link to these results)