| 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 | 52.9 | Low | 65.5 | Low | 206 Ų | 206 | 124.2 Ų | 124.2 | 100% | 1.015 | 65% | 0.651 | S | S | * | * | 0 | -27.4 | 0 | -150.1 | 174.5 | -80 | 0 | 0 | 112.9 | H5 | M1-H5 PolarHBondContact O-CD2 3.32Š| |||
| 2 | I | 58.5 | Low | 66.3 | Low | 153 Ų | 153 | 129 Ų | 129 | 79% | 0.785 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -68.8 | -34.9 | -176 | -68.8 | 140.8 | 0 | 0 | 0 | 114.7 | S4 H5 | I2-S4 VanDerWaalsContact C-N 3.32Å; I2-S4 PolarHBondContact O-N 3.39Å; I2-H5 PolarHBondContact O-N 3.26Å |
| 3 | E | 57.7 | Low | 67.3 | Low | 176 Ų | 176 | 127.6 Ų | 127.6 | 82% | 0.822 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -63.2 | -33.6 | -178.2 | -77.7 | -179.2 | 92.3 | 0 | 0 | 114 | H5 C6 | E3-H5 VanDerWaalsContact C-N 3.33Å; E3-H5 PolarHBondContact O-N 3.43Å; E3-C6 PolarHBondContact O-N 3.38Å |
| 4 | S | 61.5 | Low | 68.1 | Low | 81 Ų | 81 | 129.6 Ų | 129.6 | 57% | 0.566 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -66.3 | -36 | -177.6 | -163 | 0 | 0 | 0 | 0 | 112.3 | I2 C6 I8 | I2-S4 VanDerWaalsContact C-N 3.32Å; I2-S4 PolarHBondContact O-N 3.39Å; S4-C6 VanDerWaalsContact C-N 3.31Å; S4-C6 PolarHBondContact O-N 3Å; S4-I8 WeakPolarHBondContact O-CD1 3.35Å; S4-I8 WeakPolarHBondContact O-CG1 3.37Å; S4-I8 PolarHBondContact O-N 3.41Å |
| 5 | H | 63.3 | Low | 68.9 | Low | 119 Ų | 119 | 123.7 Ų | 123.7 | 55% | 0.551 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -68.4 | -32.2 | 178.7 | -70.8 | -98.1 | 0 | 0 | 0 | 112.1 | M1 I2 E3 I8 L9 | M1-H5 PolarHBondContact O-CD2 3.32Å; I2-H5 PolarHBondContact O-N 3.26Å; E3-H5 VanDerWaalsContact C-N 3.33Å; E3-H5 PolarHBondContact O-N 3.43Å; H5-I8 PolarHBondContact O-N 3.38Å; H5-L9 VanDerWaalsContact O-CG 3.32Å; H5-L9 WeakPolarHBondContact O-CG 3.32Å; H5-L9 PolarHBondContact O-N 2.99Å |
| 6 | C | 65.6 | Low | 69.7 | Low | 87 Ų | 87 | 120.3 Ų | 120.3 | 59% | 0.588 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -67.4 | -44.8 | -178.6 | -159.8 | 0 | 0 | 0 | 0 | 111.7 | E3 S4 I8 L9 L10 | E3-C6 PolarHBondContact O-N 3.38Å; S4-C6 VanDerWaalsContact C-N 3.31Å; S4-C6 PolarHBondContact O-N 3Å; C6-I8 VanDerWaalsContact C-N 3.32Å; C6-I8 PolarHBondContact O-N 3.39Å; C6-L9 PolarHBondContact O-N 3.38Å; C6-L10 WeakPolarHBondContact O-CB 3.41Å; C6-L10 PolarHBondContact O-N 3.31Å |
| 7 | S | 68.2 | Low | 70.4 | Confident | 83 Ų | 83 | 119 Ų | 119 | 58% | 0.58 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -65.7 | -32.1 | 176 | -72.4 | 0 | 0 | 0 | 0 | 113.5 | K11 | S7-K11 PolarHBondContact O-N 3.4Å |
| 8 | I | 71 | Confident | 71.1 | Confident | 86 Ų | 86 | 118.4 Ų | 118.4 | 44% | 0.441 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -68.8 | -50.3 | 176 | -65.5 | 162.2 | 0 | 0 | 0 | 109.6 | S4 H5 C6 L10 K11 W12 | S4-I8 WeakPolarHBondContact O-CD1 3.35Å; S4-I8 WeakPolarHBondContact O-CG1 3.37Å; S4-I8 PolarHBondContact O-N 3.41Å; H5-I8 PolarHBondContact O-N 3.38Å; C6-I8 VanDerWaalsContact C-N 3.32Å; C6-I8 PolarHBondContact O-N 3.39Å; I8-L10 VanDerWaalsContact C-N 3.32Å; I8-L10 PolarHBondContact O-N 3.05Å; I8-K11 WeakPolarHBondContact O-CB 3.37Å; I8-K11 PolarHBondContact O-N 3.46Å; I8-W12 PolarHBondContact O-N 3.42Å; I8-W12 VanDerWaalsContact O-N 3.13Å |
| 9 | L | 71.3 | Confident | 71.8 | Confident | 109 Ų | 109 | 119.3 Ų | 119.3 | 57% | 0.571 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -60.2 | -41.4 | 179.5 | -71.8 | 167.3 | 0 | 0 | 0 | 112.2 | H5 C6 K11 W12 I13 | H5-L9 VanDerWaalsContact O-CG 3.32Å; H5-L9 WeakPolarHBondContact O-CG 3.32Å; H5-L9 PolarHBondContact O-N 2.99Å; C6-L9 PolarHBondContact O-N 3.38Å; L9-K11 PolarHBondContact O-N 3.4Å; L9-W12 PolarHBondContact O-N 3.23Å; L9-I13 WeakPolarHBondContact O-CG1 3.34Å; L9-I13 PolarHBondContact O-N 2.93Å |
| 10 | L | 72.9 | Confident | 72.4 | Confident | 97 Ų | 97 | 116.8 Ų | 116.8 | 51% | 0.508 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -62.8 | -42.5 | 178.4 | -159.3 | 70.5 | 0 | 0 | 0 | 111.5 | C6 I8 W12 I13 Y14 | C6-L10 WeakPolarHBondContact O-CB 3.41Å; C6-L10 PolarHBondContact O-N 3.31Å; I8-L10 VanDerWaalsContact C-N 3.32Å; I8-L10 PolarHBondContact O-N 3.05Å; L10-W12 VanDerWaalsContact C-N 3.33Å; L10-W12 PolarHBondContact O-N 3.23Å; L10-I13 PolarHBondContact O-N 3.22Å; L10-Y14 HydrophobicContact CD1-CD2 4.37Å; L10-Y14 HydrophobicContact CD1-CE2 4.03Å; L10-Y14 HydrophobicContact CD2-CE2 4.37Å; L10-Y14 HydrophobicContact CG-CD2 3.97Å; L10-Y14 HydrophobicContact CG-CE2 3.89Å; L10-Y14 WeakPolarHBondContact O-CD2 3.37Å; L10-Y14 PolarHBondContact O-N 3.4Å |
| 11 | K | 77.6 | Confident | 72.8 | Confident | 169 Ų | 169 | 115.7 Ų | 115.7 | 74% | 0.735 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -59.5 | -41 | 174.5 | -89 | 173.9 | 158.9 | 178.8 | 0 | 112.8 | S7 I8 L9 G15 | S7-K11 PolarHBondContact O-N 3.4Å; I8-K11 WeakPolarHBondContact O-CB 3.37Å; I8-K11 PolarHBondContact O-N 3.46Å; L9-K11 PolarHBondContact O-N 3.4Å; K11-G15 PolarHBondContact O-N 3.03Å |
| 12 | W | 74.8 | Confident | 74.1 | Confident | 182 Ų | 182 | 110.2 Ų | 110.2 | 69% | 0.689 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -64.7 | -44.7 | 177.4 | -82.1 | 99.6 | 0 | 0 | 0 | 111.9 | I8 L9 L10 G15 S16 | I8-W12 PolarHBondContact O-N 3.42Å; I8-W12 VanDerWaalsContact O-N 3.13Å; L9-W12 PolarHBondContact O-N 3.23Å; L10-W12 VanDerWaalsContact C-N 3.33Å; L10-W12 PolarHBondContact O-N 3.23Å; W12-G15 PolarHBondContact O-N 3.13Å; W12-S16 PolarHBondContact O-N 3.41Å; W12-S16 PolarHBondContact O-OG 3.49Å |
| 13 | I | 79.9 | Confident | 75.1 | Confident | 111 Ų | 111 | 106.3 Ų | 106.3 | 57% | 0.569 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -63.1 | -47.2 | 179.3 | -64.7 | 164.1 | 0 | 0 | 0 | 111 | L9 L10 G15 S16 L17 | L9-I13 WeakPolarHBondContact O-CG1 3.34Å; L9-I13 PolarHBondContact O-N 2.93Å; L10-I13 PolarHBondContact O-N 3.22Å; I13-G15 PolarHBondContact O-N 3.24Å; I13-S16 PolarHBondContact O-N 2.92Å; I13-L17 WeakPolarHBondContact O-CB 3.27Å; I13-L17 PolarHBondContact O-N 2.86Å |
| 14 | Y | 78.1 | Confident | 75.8 | Confident | 156 Ų | 156 | 103 Ų | 103 | 61% | 0.612 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.7 | -39.3 | 177.2 | -87.3 | -81.7 | 0 | 0 | 0 | 112.4 | L10 L17 L18 | L10-Y14 HydrophobicContact CD1-CD2 4.37Å; L10-Y14 HydrophobicContact CD1-CE2 4.03Å; L10-Y14 HydrophobicContact CD2-CE2 4.37Å; L10-Y14 HydrophobicContact CG-CD2 3.97Å; L10-Y14 HydrophobicContact CG-CE2 3.89Å; L10-Y14 WeakPolarHBondContact O-CD2 3.37Å; L10-Y14 PolarHBondContact O-N 3.4Å; Y14-L17 PolarHBondContact O-N 2.95Å; Y14-L18 VanDerWaalsContact O-CB 3.27Å; Y14-L18 WeakPolarHBondContact O-CB 3.48Å; Y14-L18 PolarHBondContact O-N 2.91Å |
| 15 | G | 79.7 | Confident | 76.2 | Confident | 40 Ų | 40 | 103.2 Ų | 103.2 | 41% | 0.412 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.9 | -46.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | K11 W12 I13 L18 F19 | K11-G15 PolarHBondContact O-N 3.03Å; W12-G15 PolarHBondContact O-N 3.13Å; I13-G15 PolarHBondContact O-N 3.24Å; G15-L18 PolarHBondContact O-N 3.34Å; G15-F19 WeakPolarHBondContact O-CB 3.33Å; G15-F19 PolarHBondContact O-N 3.46Å |
| 16 | S | 81.9 | Confident | 76.5 | Confident | 69 Ų | 69 | 103.7 Ų | 103.7 | 48% | 0.483 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.2 | -42.2 | 175.6 | -66.7 | 0 | 0 | 0 | 0 | 112.1 | W12 I13 F19 V20 | W12-S16 PolarHBondContact O-N 3.41Å; W12-S16 PolarHBondContact O-OG 3.49Å; I13-S16 PolarHBondContact O-N 2.92Å; S16-F19 PolarHBondContact O-N 3.33Å; S16-V20 VanDerWaalsContact O-CG2 3.3Å; S16-V20 WeakPolarHBondContact O-CG2 3.41Å; S16-V20 PolarHBondContact O-N 3.3Å |
| 17 | L | 82.5 | Confident | 76.3 | Confident | 99 Ų | 99 | 105.6 Ų | 105.6 | 52% | 0.518 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64 | -45.1 | 177.5 | -166.9 | 76.1 | 0 | 0 | 0 | 111.5 | I13 Y14 F19 V20 I21 | I13-L17 WeakPolarHBondContact O-CB 3.27Å; I13-L17 PolarHBondContact O-N 2.86Å; Y14-L17 PolarHBondContact O-N 2.95Å; L17-F19 VanDerWaalsContact C-N 3.31Å; L17-F19 PolarHBondContact O-N 3.25Å; L17-V20 PolarHBondContact O-N 3.44Å; L17-I21 HydrophobicContact CG-CD1 4.21Å; L17-I21 WeakPolarHBondContact O-CG1 3.45Å; L17-I21 PolarHBondContact O-N 2.93Å |
| 18 | L | 82.8 | Confident | 75.9 | Confident | 108 Ų | 108 | 107.1 Ų | 107.1 | 57% | 0.565 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61.6 | -41.4 | 176.7 | -167.3 | 81.8 | 0 | 0 | 0 | 111 | Y14 G15 I21 L22 | Y14-L18 VanDerWaalsContact O-CB 3.27Å; Y14-L18 WeakPolarHBondContact O-CB 3.48Å; Y14-L18 PolarHBondContact O-N 2.91Å; G15-L18 PolarHBondContact O-N 3.34Å; L18-I21 PolarHBondContact O-N 2.89Å; L18-L22 HydrophobicContact CD2-CD1 4.34Å; L18-L22 HydrophobicContact CG-CD1 4.16Å; L18-L22 WeakPolarHBondContact O-CB 3.3Å; L18-L22 PolarHBondContact O-N 2.96Å |
| 19 | F | 83.8 | Confident | 75.2 | Confident | 135 Ų | 135 | 106.7 Ų | 106.7 | 59% | 0.592 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -61.8 | -44.7 | 176.1 | -171.1 | -97 | 0 | 0 | 0 | 111.4 | G15 S16 L17 I21 L22 I23 | G15-F19 WeakPolarHBondContact O-CB 3.33Å; G15-F19 PolarHBondContact O-N 3.46Å; S16-F19 PolarHBondContact O-N 3.33Å; L17-F19 VanDerWaalsContact C-N 3.31Å; L17-F19 PolarHBondContact O-N 3.25Å; F19-I21 VanDerWaalsContact C-N 3.35Å; F19-I21 PolarHBondContact O-N 3.46Å; F19-L22 PolarHBondContact O-N 2.78Å; F19-I23 HydrophobicContact CD1-CD1 4.45Å; F19-I23 HydrophobicContact CD1-CG2 4.23Å; F19-I23 HydrophobicContact CE1-CD1 4.43Å; F19-I23 HydrophobicContact CE1-CG2 3.86Å; F19-I23 HydrophobicContact CZ-CG2 4.06Å; F19-I23 WeakPolarHBondContact O-CG1 3.41Å; F19-I23 WeakPolarHBondContact O-CG2 3.44Å; F19-I23 PolarHBondContact O-N 3.45Å |
| 20 | V | 83.7 | Confident | 74.6 | Confident | 70 Ų | 70 | 107.8 Ų | 107.8 | 42% | 0.424 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.8 | -40.7 | 175.8 | 173.6 | 0 | 0 | 0 | 0 | 111.7 | S16 L17 I23 N24 | S16-V20 VanDerWaalsContact O-CG2 3.3Å; S16-V20 WeakPolarHBondContact O-CG2 3.41Å; S16-V20 PolarHBondContact O-N 3.3Å; L17-V20 PolarHBondContact O-N 3.44Å; V20-I23 WeakPolarHBondContact O-CG1 3.32Å; V20-N24 WeakPolarHBondContact O-CB 3.22Å; V20-N24 PolarHBondContact O-N 2.9Å; V20-N24 PolarHBondContact O-ND2 2.94Å |
| 21 | I | 81.5 | Confident | 73.8 | Confident | 94 Ų | 94 | 113.9 Ų | 113.9 | 48% | 0.482 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -67.1 | -43.3 | 177.2 | -65.6 | 164.7 | 0 | 0 | 0 | 110.5 | L17 L18 F19 N24 T25 | L17-I21 HydrophobicContact CG-CD1 4.21Å; L17-I21 WeakPolarHBondContact O-CG1 3.45Å; L17-I21 PolarHBondContact O-N 2.93Å; L18-I21 PolarHBondContact O-N 2.89Å; F19-I21 VanDerWaalsContact C-N 3.35Å; F19-I21 PolarHBondContact O-N 3.46Å; I21-N24 PolarHBondContact O-N 2.93Å; I21-T25 WeakPolarHBondContact O-CB 3.48Å; I21-T25 PolarHBondContact O-N 2.88Å; I21-T25 PolarHBondContact O-OG1 3.38Å |
| 22 | L | 79.7 | Confident | 72.7 | Confident | 91 Ų | 91 | 109.1 Ų | 109.1 | 48% | 0.476 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -60.7 | -48.8 | 177.8 | -86.5 | 159.8 | 0 | 0 | 0 | 111.7 | L18 F19 N24 T25 I26 | L18-L22 HydrophobicContact CD2-CD1 4.34Å; L18-L22 HydrophobicContact CG-CD1 4.16Å; L18-L22 WeakPolarHBondContact O-CB 3.3Å; L18-L22 PolarHBondContact O-N 2.96Å; F19-L22 PolarHBondContact O-N 2.78Å; L22-N24 PolarHBondContact O-N 3.3Å; L22-T25 PolarHBondContact O-N 3.39Å; L22-I26 WeakPolarHBondContact O-CB 3.15Å; L22-I26 WeakPolarHBondContact O-CD1 3.4Å; L22-I26 WeakPolarHBondContact O-CG1 3.49Å; L22-I26 PolarHBondContact O-N 3.06Å |
| 23 | I | 78.7 | Confident | 71.6 | Confident | 71 Ų | 71 | 103 Ų | 103 | 36% | 0.364 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.8 | -41.8 | 177.4 | 63.7 | -176.7 | 0 | 0 | 0 | 111.2 | F19 V20 T25 I26 I27 | F19-I23 HydrophobicContact CD1-CD1 4.45Å; F19-I23 HydrophobicContact CD1-CG2 4.23Å; F19-I23 HydrophobicContact CE1-CD1 4.43Å; F19-I23 HydrophobicContact CE1-CG2 3.86Å; F19-I23 HydrophobicContact CZ-CG2 4.06Å; F19-I23 WeakPolarHBondContact O-CG1 3.41Å; F19-I23 WeakPolarHBondContact O-CG2 3.44Å; F19-I23 PolarHBondContact O-N 3.45Å; V20-I23 WeakPolarHBondContact O-CG1 3.32Å; I23-T25 VanDerWaalsContact C-N 3.3Å; I23-T25 PolarHBondContact O-N 3.33Å; I23-I26 PolarHBondContact O-N 2.69Å; I23-I27 VanDerWaalsContact O-CB 3.28Å; I23-I27 WeakPolarHBondContact O-CB 2.94Å; I23-I27 WeakPolarHBondContact O-CG1 3.28Å; I23-I27 PolarHBondContact O-N 3.26Å |
| 24 | N | 72.4 | Confident | 70.6 | Confident | 106 Ų | 106 | 105.4 Ų | 105.4 | 57% | 0.567 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -67.8 | -31.2 | 179 | -80.6 | -79.6 | 0 | 0 | 0 | 112.5 | V20 I21 L22 I27 I28 | V20-N24 WeakPolarHBondContact O-CB 3.22Å; V20-N24 PolarHBondContact O-N 2.9Å; V20-N24 PolarHBondContact O-ND2 2.94Å; I21-N24 PolarHBondContact O-N 2.93Å; L22-N24 PolarHBondContact O-N 3.3Å; N24-I27 CarbonylContact O-C 3.55Å; N24-I28 WeakPolarHBondContact O-CG1 3.36Å; N24-I28 PolarHBondContact O-N 3.38Å |
| 25 | T | 71.2 | Confident | 69.6 | Low | 85 Ų | 85 | 101.2 Ų | 101.2 | 52% | 0.521 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -75.3 | -38.1 | 177.3 | -48.6 | 0 | 0 | 0 | 0 | 111.7 | I21 L22 I23 I28 | I21-T25 WeakPolarHBondContact O-CB 3.48Å; I21-T25 PolarHBondContact O-N 2.88Å; I21-T25 PolarHBondContact O-OG1 3.38Å; L22-T25 PolarHBondContact O-N 3.39Å; I23-T25 VanDerWaalsContact C-N 3.3Å; I23-T25 PolarHBondContact O-N 3.33Å; T25-I28 HydrophobicContact CG2-CD1 4.32Å; T25-I28 WeakPolarHBondContact O-CG1 3.48Å; T25-I28 PolarHBondContact O-N 3.4Å |
| 26 | I | 68.4 | Low | 69 | Low | 129 Ų | 129 | 102.6 Ų | 102.6 | 66% | 0.662 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -73.2 | -35.8 | 177.5 | -63.9 | 163.2 | 0 | 0 | 0 | 110.8 | L22 I23 I28 | L22-I26 WeakPolarHBondContact O-CB 3.15Å; L22-I26 WeakPolarHBondContact O-CD1 3.4Å; L22-I26 WeakPolarHBondContact O-CG1 3.49Å; L22-I26 PolarHBondContact O-N 3.06Å; I23-I26 PolarHBondContact O-N 2.69Å; I26-I28 PolarHBondContact O-N 3.28Å |
| 27 | I | 62.6 | Low | 69 | Low | 127 Ų | 127 | 108 Ų | 108 | 65% | 0.651 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | 27.1 | 175 | -48.7 | -73.5 | 0 | 0 | 0 | 110.3 | I23 N24 P29 | I23-I27 VanDerWaalsContact O-CB 3.28Å; I23-I27 WeakPolarHBondContact O-CB 2.94Å; I23-I27 WeakPolarHBondContact O-CG1 3.28Å; I23-I27 PolarHBondContact O-N 3.26Å; N24-I27 CarbonylContact O-C 3.55Å; I27-P29 WeakPolarHBondContact O-CD 3.07Å; I27-P29 VanDerWaalsContact O-N 3.15Å |
| 28 | I | 60.2 | Low | 69.4 | Low | 115 Ų | 115 | 105.2 Ų | 105.2 | 59% | 0.59 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -73.3 | 102 | 155.8 | -61 | 170.7 | 0 | 0 | 0 | 103.8 | N24 T25 I26 T30 | N24-I28 WeakPolarHBondContact O-CG1 3.36Å; N24-I28 PolarHBondContact O-N 3.38Å; T25-I28 HydrophobicContact CG2-CD1 4.32Å; T25-I28 WeakPolarHBondContact O-CG1 3.48Å; T25-I28 PolarHBondContact O-N 3.4Å; I26-I28 PolarHBondContact O-N 3.28Å; I28-T30 PolarHBondContact O-N 2.63Å; I28-T30 VanDerWaalsContact O-N 3.14Å |
| 29 | P | 56.5 | Low | 69.6 | Low | 78 Ų | 78 | 100.1 Ų | 100.1 | 51% | 0.506 | 56% | 0.558 | S | S | . | * | trans | -56.4 | 132.6 | 176.6 | 27.3 | -34.8 | 0 | 0 | 0 | 105.7 | I27 R31 | I27-P29 WeakPolarHBondContact O-CD 3.07Å; I27-P29 VanDerWaalsContact O-N 3.15Å; P29-R31 HydrophobicContact CB-CG 4.04Å; P29-R31 HydrophobicContact CG-CG 3.84Å; P29-R31 PolarHBondContact O-N 3.14Å | ||
| 30 | T | 58.5 | Low | 69.9 | Low | 132 Ų | 132 | 100 Ų | 100 | 81% | 0.81 | 56% | 0.559 | S | S | * | * | trans | -61 | 62.6 | 161.6 | 43.8 | 0 | 0 | 0 | 0 | 108.4 | I28 G32 G33 | I28-T30 PolarHBondContact O-N 2.63Å; I28-T30 VanDerWaalsContact O-N 3.14Å; T30-G32 CarbonylContact O-C 3.55Å; T30-G32 VanDerWaalsContact O-C 3.26Å; T30-G32 PolarHBondContact O-N 2.87Å; T30-G32 VanDerWaalsContact O-N 3.12Å; T30-G33 PolarHBondContact O-N 3.32Å | ||
| 31 | R | 56.4 | Low | 70.1 | Confident | 224 Ų | 224 | 99.5 Ų | 99.5 | 85% | 0.845 | 56% | 0.557 | S | S | * | * | trans | -68.8 | 4.8 | 169 | -88.6 | -174.7 | -179 | -166.8 | 2.2 | 111.1 | P29 G33 | P29-R31 HydrophobicContact CB-CG 4.04Å; P29-R31 HydrophobicContact CG-CG 3.84Å; P29-R31 PolarHBondContact O-N 3.14Å; R31-G33 PolarHBondContact O-N 3.12Å | ||
| 32 | G | 52.7 | Low | 70.2 | Confident | 70 Ų | 70 | 102.4 Ų | 102.4 | 72% | 0.722 | 57% | 0.568 | S | S | * | * | trans | -65.6 | 56.9 | 141.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | T30 I34 | T30-G32 CarbonylContact O-C 3.55Å; T30-G32 VanDerWaalsContact O-C 3.26Å; T30-G32 PolarHBondContact O-N 2.87Å; T30-G32 VanDerWaalsContact O-N 3.12Å; G32-I34 PolarHBondContact O-N 2.68Å | ||
| 33 | G | 53 | Low | 70.7 | Confident | 52 Ų | 52 | 100.6 Ų | 100.6 | 54% | 0.536 | 56% | 0.562 | S | S | . | * | trans | -53.7 | 115.1 | 163.3 | 0 | 0 | 0 | 0 | 0 | 104.3 | T30 R31 A35 | T30-G33 PolarHBondContact O-N 3.32Å; R31-G33 PolarHBondContact O-N 3.12Å; G33-A35 VanDerWaalsContact C-N 3.25Å; G33-A35 WeakPolarHBondContact O-CA 3.39Å; G33-A35 PolarHBondContact O-N 2.95Å | ||
| 34 | I | 57.5 | Low | 71.3 | Confident | 162 Ų | 162 | 101.4 Ų | 101.4 | 83% | 0.831 | 57% | 0.57 | S | S | * | * | trans | -26.4 | 93.9 | 170.4 | 13.4 | 170 | 0 | 0 | 0 | 107.8 | G32 S36 | G32-I34 PolarHBondContact O-N 2.68Å; I34-S36 VanDerWaalsContact C-N 3.3Å; I34-S36 PolarHBondContact O-N 3.18Å | ||
| 35 | A | 57.9 | Low | 72.2 | Confident | 68 Ų | 68 | 96.4 Ų | 96.4 | 56% | 0.562 | 54% | 0.543 | S | S | * | . | trans | -70.2 | 102.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 103.1 | G33 F37 | G33-A35 VanDerWaalsContact C-N 3.25Å; G33-A35 WeakPolarHBondContact O-CA 3.39Å; G33-A35 PolarHBondContact O-N 2.95Å; A35-F37 PolarHBondContact O-N 3.32Å | ||
| 36 | S | 67.9 | Low | 73.2 | Confident | 69 Ų | 69 | 94.3 Ų | 94.3 | 48% | 0.483 | 53% | 0.53 | S | S | . | . | trans | -47.7 | 120.9 | -178 | -64 | 0 | 0 | 0 | 0 | 107.4 | I34 C38 R49 | I34-S36 VanDerWaalsContact C-N 3.3Å; I34-S36 PolarHBondContact O-N 3.18Å; S36-C38 PolarHBondContact O-N 3.38Å; S36-R49 PolarHBondContact O-NH1 2.03Å; S36-R49 PolarHBondContact O-NH2 3.49Å | ||
| 37 | F | 82.1 | Confident | 73.9 | Confident | 184 Ų | 184 | 92.6 Ų | 92.6 | 81% | 0.807 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -62.8 | -15.6 | -171.2 | -72.4 | -87 | 0 | 0 | 0 | 112.3 | A35 P50 | A35-F37 PolarHBondContact O-N 3.32Å; F37-P50 WeakPolarHBondContact O-CD 3.42Å |
| 38 | C | 89.2 | Confident | 75.1 | Confident | 40 Ų | 40 | 95.7 Ų | 95.7 | 27% | 0.27 | 53% | 0.534 | S | S | . | . | S | Bend | trans | -116.3 | 159.3 | 176.3 | 66.2 | 0 | 0 | 0 | 0 | 112.7 | S36 R49 P50 C52 | S36-C38 PolarHBondContact O-N 3.38Å; C38-R49 PolarHBondContact O-NE 3.02Å; C38-R49 PolarHBondContact O-NH2 2.61Å; C38-P50 CarbonylContact C-O 3.26Å; C38-P50 WeakPolarHBondContact CA-O 2.95Å; C38-P50 WeakPolarHBondContact CB-O 3.41Å; C38-C52 HydrophobicContact CB-CB 3.88Å; C38-C52 WeakPolarHBondContact CB-SG 3.39Å; C38-C52 VanDerWaalsContact SG-CA 3.55Å; C38-C52 WeakPolarHBondContact SG-CB 3.49Å; C38-C52 CovalentContact SG-SG 2.03Å; C38-C52 PolarHBondContact SG-SG 3.01Å |
| 39 | S | 88.5 | Confident | 76.5 | Confident | 1 Ų | 1 | 94.1 Ų | 94.1 | 1% | 0.007 | 52% | 0.521 | C | S | . | . | B | Isolated β-bridge | trans | -96.8 | 134 | 177.9 | -50.3 | 0 | 0 | 0 | 0 | 109.2 | T43 V44 R49 P50 C51 C52 | S39-T43 WeakPolarHBondContact CB-OG1 3.42Å; S39-V44 WeakPolarHBondContact CB-O 3.18Å; S39-V44 PolarHBondContact OG-O 3.34Å; S39-R49 WeakPolarHBondContact OG-CD 3.06Å; S39-R49 WeakPolarHBondContact OG-CG 3.32Å; S39-R49 PolarHBondContact OG-NE 2.95Å; S39-R49 PolarHBondContact OG-O 3.11Å; S39-R49 VanDerWaalsContact OG-O 3.1Å; S39-P50 PolarHBondContact N-O 3.08Å; S39-C51 CarbonylContact O-C 3.57Å; S39-C51 WeakPolarHBondContact O-CA 3.3Å; S39-C52 VanDerWaalsContact C-SG 3.58Å; S39-C52 PolarHBondContact O-N 3.36Å; S39-C52 PolarHBondContact O-SG 3.21Å; S39-C52 VanDerWaalsContact O-SG 3.37Å |
| 40 | E | 89.6 | Confident | 78 | Confident | 131 Ų | 131 | 94 Ų | 94 | 61% | 0.612 | 52% | 0.52 | S | S | * | . | trans | -64.3 | 159.9 | 178.5 | -74.8 | 167.1 | 88.6 | 0 | 0 | 111.9 | E42 T43 | E40-E42 PolarHBondContact O-N 2.77Å; E40-T43 HydrophobicContact CB-CG2 3.82Å; E40-T43 PolarHBondContact N-OG1 2.76Å; E40-T43 VanDerWaalsContact N-OG1 3.08Å; E40-T43 WeakPolarHBondContact O-CB 3.48Å; E40-T43 PolarHBondContact O-N 3.3Å; E40-T43 VanDerWaalsContact O-N 3.11Å; E40-T43 PolarHBondContact O-OG1 3.31Å | ||
| 41 | P | 86.9 | Confident | 79.6 | Confident | 61 Ų | 61 | 88.4 Ų | 88.4 | 40% | 0.396 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.2 | 138.3 | 172.4 | -32.5 | 39.1 | 0 | 0 | 0 | 112.8 | T43 W56 | P41-T43 PolarHBondContact O-N 2.93Å; P41-W56 HydrophobicContact CB-CD2 4.18Å; P41-W56 HydrophobicContact CB-CE3 4.19Å; P41-W56 HydrophobicContact CB-CH2 3.67Å; P41-W56 HydrophobicContact CB-CZ2 3.62Å; P41-W56 HydrophobicContact CB-CZ3 3.94Å; P41-W56 HydrophobicContact CG-CD2 4.28Å; P41-W56 HydrophobicContact CG-CZ2 4Å |
| 42 | E | 85.2 | Confident | 81.2 | Confident | 154 Ų | 154 | 79.3 Ų | 79.3 | 72% | 0.72 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.4 | 0.6 | 178.8 | -47.1 | -170.6 | 131.4 | 0 | 0 | 116.1 | E40 W56 C68 | E40-E42 PolarHBondContact O-N 2.77Å; E42-W56 HydrophobicContact CG-CH2 4.31Å; E42-W56 HydrophobicContact CG-CZ3 4.28Å; E42-C68 WeakPolarHBondContact CA-O 3.26Å; E42-C68 PolarHBondContact N-O 3.19Å; E42-C68 VanDerWaalsContact N-O 3.14Å |
| 43 | T | 90.2 | Very high | 82.8 | Confident | 54 Ų | 54 | 78.6 Ų | 78.6 | 33% | 0.331 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -87.1 | 170 | 175.1 | 72.4 | 0 | 0 | 0 | 0 | 112.3 | S39 E40 P41 C45 K67 C68 | S39-T43 WeakPolarHBondContact CB-OG1 3.42Å; E40-T43 HydrophobicContact CB-CG2 3.82Å; E40-T43 PolarHBondContact N-OG1 2.76Å; E40-T43 VanDerWaalsContact N-OG1 3.08Å; E40-T43 WeakPolarHBondContact O-CB 3.48Å; E40-T43 PolarHBondContact O-N 3.3Å; E40-T43 VanDerWaalsContact O-N 3.11Å; E40-T43 PolarHBondContact O-OG1 3.31Å; P41-T43 PolarHBondContact O-N 2.93Å; T43-C45 PolarHBondContact O-N 2.97Å; T43-K67 WeakPolarHBondContact O-CA 3.32Å; T43-C68 PolarHBondContact O-N 2.96Å |
| 44 | V | 90.8 | Very high | 84.3 | Confident | 88 Ų | 88 | 84.9 Ų | 84.9 | 53% | 0.533 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 128.5 | 178.6 | 177.1 | 0 | 0 | 0 | 0 | 110 | S39 T65 G66 | S39-V44 WeakPolarHBondContact CB-O 3.18Å; S39-V44 PolarHBondContact OG-O 3.34Å; V44-T65 HydrophobicContact CG1-CG2 4.45Å; V44-G66 WeakPolarHBondContact CA-O 3.49Å |
| 45 | C | 91.6 | Very high | 85.8 | Confident | 0 Ų | 0 | 80.5 Ų | 80.5 | 0% | 0 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 157.9 | 177 | 57.2 | 0 | 0 | 0 | 0 | 111.7 | T43 C58 T65 G66 C68 | T43-C45 PolarHBondContact O-N 2.97Å; C45-C58 HydrophobicContact CB-CB 3.82Å; C45-C58 WeakPolarHBondContact CB-SG 3.47Å; C45-C58 WeakPolarHBondContact SG-CA 3.22Å; C45-C58 WeakPolarHBondContact SG-CB 3.46Å; C45-C58 CovalentContact SG-SG 2.02Å; C45-C58 PolarHBondContact SG-SG 3.37Å; C45-T65 CarbonylContact O-C 3.41Å; C45-T65 WeakPolarHBondContact O-CA 2.98Å; C45-G66 PolarHBondContact N-O 3.25Å; C45-G66 PolarHBondContact O-N 3.34Å; C45-C68 VanDerWaalsContact CB-SG 3.58Å |
| 46 | T | 90.9 | Very high | 87.4 | Confident | 42 Ų | 42 | 80.6 Ų | 80.6 | 26% | 0.258 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 175.3 | 179 | 73.8 | 0 | 0 | 0 | 0 | 110.4 | F48 R49 T65 | T46-F48 PolarHBondContact O-N 3.29Å; T46-F48 PolarHBondContact OG1-N 2.82Å; T46-R49 PolarHBondContact N-O 2.98Å; T46-R49 VanDerWaalsContact N-O 3.16Å; T46-R49 CarbonylContact O-C 3.31Å; T46-R49 VanDerWaalsContact O-C 3.31Å; T46-R49 PolarHBondContact O-N 2.96Å; T46-R49 PolarHBondContact OG1-N 3.18Å; T46-T65 HydrophobicContact CG2-CG2 4.06Å |
| 47 | V | 83.7 | Confident | 88.4 | Confident | 92 Ų | 92 | 78.8 Ų | 78.8 | 56% | 0.558 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -39.2 | 172.9 | -177.6 | 0 | 0 | 0 | 0 | 111.7 | ||
| 48 | F | 87.6 | Confident | 88.8 | Confident | 193 Ų | 193 | 71.8 Ų | 71.8 | 85% | 0.846 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -9.4 | -176.1 | -55.5 | -68.8 | 0 | 0 | 0 | 113 | T46 | T46-F48 PolarHBondContact O-N 3.29Å; T46-F48 PolarHBondContact OG1-N 2.82Å |
| 49 | R | 89.2 | Confident | 88.8 | Confident | 82 Ų | 82 | 72.1 Ų | 72.1 | 31% | 0.309 | 38% | 0.379 | S | S | . | . | B | Isolated β-bridge | trans | -136 | 80.8 | -177.1 | -159.6 | -170.6 | 172.5 | 97 | 2.3 | 110.1 | S36 C38 S39 T46 | S36-R49 PolarHBondContact O-NH1 2.03Å; S36-R49 PolarHBondContact O-NH2 3.49Å; C38-R49 PolarHBondContact O-NE 3.02Å; C38-R49 PolarHBondContact O-NH2 2.61Å; S39-R49 WeakPolarHBondContact OG-CD 3.06Å; S39-R49 WeakPolarHBondContact OG-CG 3.32Å; S39-R49 PolarHBondContact OG-NE 2.95Å; S39-R49 PolarHBondContact OG-O 3.11Å; S39-R49 VanDerWaalsContact OG-O 3.1Å; T46-R49 PolarHBondContact N-O 2.98Å; T46-R49 VanDerWaalsContact N-O 3.16Å; T46-R49 CarbonylContact O-C 3.31Å; T46-R49 VanDerWaalsContact O-C 3.31Å; T46-R49 PolarHBondContact O-N 2.96Å; T46-R49 PolarHBondContact OG1-N 3.18Å |
| 50 | P | 88.5 | Confident | 88.7 | Confident | 74 Ų | 74 | 76.2 Ų | 76.2 | 48% | 0.481 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 170.4 | -180 | 29.7 | -37 | 0 | 0 | 0 | 111.6 | F37 C38 S39 | F37-P50 WeakPolarHBondContact O-CD 3.42Å; C38-P50 CarbonylContact C-O 3.26Å; C38-P50 WeakPolarHBondContact CA-O 2.95Å; C38-P50 WeakPolarHBondContact CB-O 3.41Å; S39-P50 PolarHBondContact N-O 3.08Å |
| 51 | C | 92 | Very high | 88.4 | Confident | 16 Ų | 16 | 78.4 Ų | 78.4 | 11% | 0.108 | 40% | 0.402 | C | S | . | . | B | Isolated β-bridge | trans | -74.8 | 142.8 | 177.5 | -59.7 | 0 | 0 | 0 | 0 | 111.8 | S39 W56 C68 | S39-C51 CarbonylContact O-C 3.57Å; S39-C51 WeakPolarHBondContact O-CA 3.3Å; C51-W56 HydrophobicContact CB-CB 3.64Å; C51-C68 WeakPolarHBondContact CA-SG 3.26Å; C51-C68 HydrophobicContact CB-CB 3.77Å; C51-C68 WeakPolarHBondContact CB-SG 3.38Å; C51-C68 WeakPolarHBondContact SG-CA 3.33Å; C51-C68 WeakPolarHBondContact SG-CB 3.44Å; C51-C68 CovalentContact SG-SG 2.03Å; C51-C68 PolarHBondContact SG-SG 3.29Å |
| 52 | C | 90.4 | Very high | 88.2 | Confident | 33 Ų | 33 | 81.8 Ų | 81.8 | 22% | 0.223 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -74.3 | 132.7 | 173 | -57.4 | 0 | 0 | 0 | 0 | 109.2 | C38 S39 | C38-C52 HydrophobicContact CB-CB 3.88Å; C38-C52 WeakPolarHBondContact CB-SG 3.39Å; C38-C52 VanDerWaalsContact SG-CA 3.55Å; C38-C52 WeakPolarHBondContact SG-CB 3.49Å; C38-C52 CovalentContact SG-SG 2.03Å; C38-C52 PolarHBondContact SG-SG 3.01Å; S39-C52 VanDerWaalsContact C-SG 3.58Å; S39-C52 PolarHBondContact O-N 3.36Å; S39-C52 PolarHBondContact O-SG 3.21Å; S39-C52 VanDerWaalsContact O-SG 3.37Å |
| 53 | G | 87 | Confident | 88.3 | Confident | 55 Ų | 55 | 77.3 Ų | 77.3 | 57% | 0.567 | 41% | 0.413 | S | S | * | . | S | Bend | trans | 100.7 | 151.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | D55 | G53-D55 VanDerWaalsContact C-N 3.31Š|
| 54 | R | 83.3 | Confident | 88.1 | Confident | 183 Ų | 183 | 78.1 Ų | 78.1 | 69% | 0.691 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -24.6 | -175.4 | -165.6 | -176.7 | -66.1 | -130.6 | 2.8 | 112.7 | ||
| 55 | D | 88.9 | Confident | 88.2 | Confident | 71 Ų | 71 | 77.3 Ų | 77.3 | 38% | 0.38 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 19.7 | -175.2 | -52.1 | -55.4 | 0 | 0 | 0 | 112.9 | G53 Q70 C71 | G53-D55 VanDerWaalsContact C-N 3.31Å; D55-Q70 WeakPolarHBondContact O-CA 3.41Å; D55-C71 WeakPolarHBondContact CA-SG 3.44Å; D55-C71 PolarHBondContact O-N 2.91Å; D55-C71 PolarHBondContact O-SG 2.77Å |
| 56 | W | 91.1 | Very high | 88.2 | Confident | 70 Ų | 70 | 77.7 Ų | 77.7 | 27% | 0.265 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 132.1 | -178.3 | -67.2 | 88.4 | 0 | 0 | 0 | 111.7 | P41 E42 C51 C68 V69 | P41-W56 HydrophobicContact CB-CD2 4.18Å; P41-W56 HydrophobicContact CB-CE3 4.19Å; P41-W56 HydrophobicContact CB-CH2 3.67Å; P41-W56 HydrophobicContact CB-CZ2 3.62Å; P41-W56 HydrophobicContact CB-CZ3 3.94Å; P41-W56 HydrophobicContact CG-CD2 4.28Å; P41-W56 HydrophobicContact CG-CZ2 4Å; E42-W56 HydrophobicContact CG-CH2 4.31Å; E42-W56 HydrophobicContact CG-CZ3 4.28Å; C51-W56 HydrophobicContact CB-CB 3.64Å; W56-C68 HydrophobicContact CE3-CB 4.12Å; W56-C68 WeakPolarHBondContact CZ3-O 2.96Å; W56-V69 WeakPolarHBondContact CA-O 3.4Å |
| 57 | V | 90.1 | Very high | 88.2 | Confident | 30 Ų | 30 | 82.1 Ų | 82.1 | 18% | 0.182 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 149.5 | 178.5 | -68.7 | 0 | 0 | 0 | 0 | 110.7 | N59 V69 C71 N82 | V57-N59 PolarHBondContact O-N 3.47Å; V57-V69 HydrophobicContact CG2-CG2 4.1Å; V57-V69 PolarHBondContact N-O 2.95Å; V57-V69 PolarHBondContact O-N 3.3Å; V57-C71 HydrophobicContact CB-CB 4.32Å; V57-C71 HydrophobicContact CG1-CB 3.7Å; V57-C71 HydrophobicContact CG2-CB 3.78Å; V57-N82 WeakPolarHBondContact CB-O 3.34Å; V57-N82 WeakPolarHBondContact CG1-O 3.28Å |
| 58 | C | 90.4 | Very high | 88.6 | Confident | 38 Ų | 38 | 77.8 Ų | 77.8 | 26% | 0.257 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 100.6 | 180 | -173.1 | 0 | 0 | 0 | 0 | 110.4 | C45 R60 | C45-C58 HydrophobicContact CB-CB 3.82Å; C45-C58 WeakPolarHBondContact CB-SG 3.47Å; C45-C58 WeakPolarHBondContact SG-CA 3.22Å; C45-C58 WeakPolarHBondContact SG-CB 3.46Å; C45-C58 CovalentContact SG-SG 2.02Å; C45-C58 PolarHBondContact SG-SG 3.37Å; C58-R60 PolarHBondContact O-N 3Å |
| 59 | N | 90.1 | Very high | 88.9 | Confident | 46 Ų | 46 | 71 Ų | 71 | 25% | 0.246 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 105.8 | 176.6 | -171.9 | -23 | 0 | 0 | 0 | 110.1 | V57 K61 G66 K67 V69 | V57-N59 PolarHBondContact O-N 3.47Å; N59-K61 WeakPolarHBondContact OD1-CG 3.04Å; N59-K61 PolarHBondContact OD1-N 2.75Å; N59-G66 CarbonylContact O-C 3.58Å; N59-G66 WeakPolarHBondContact O-CA 3.09Å; N59-K67 PolarHBondContact N-O 2.9Å; N59-K67 PolarHBondContact O-N 2.99Å; N59-V69 HydrophobicContact CB-CG1 4.33Å; N59-V69 HydrophobicContact CB-CG2 3.64Å |
| 60 | R | 85.5 | Confident | 89 | Confident | 87 Ų | 87 | 73.2 Ų | 73.2 | 33% | 0.328 | 40% | 0.403 | S | S | . | . | trans | -96.7 | -12.9 | -173.5 | -67.8 | 175 | 74.8 | -162.8 | 8.5 | 114.5 | C58 S62 S63 A64 | C58-R60 PolarHBondContact O-N 3Å; R60-S62 PolarHBondContact O-N 2.91Å; R60-S63 WeakPolarHBondContact CB-O 3.11Å; R60-S63 VanDerWaalsContact CZ-O 3.32Å; R60-S63 PolarHBondContact NE-O 2.02Å; R60-S63 PolarHBondContact NH2-O 3.16Å; R60-S63 WeakPolarHBondContact O-CA 2.96Å; R60-S63 VanDerWaalsContact O-CB 3.26Å; R60-S63 WeakPolarHBondContact O-CB 3.33Å; R60-S63 PolarHBondContact O-N 3.33Å; R60-A64 PolarHBondContact NE-O 3.1Å; R60-A64 VanDerWaalsContact NH2-C 3.27Å; R60-A64 PolarHBondContact NH2-O 2.03Å | ||
| 61 | K | 82.7 | Confident | 89.1 | Confident | 177 Ų | 177 | 70 Ų | 70 | 77% | 0.77 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 37.4 | 46.1 | -175.2 | -59.7 | -171.3 | 178.8 | -178.1 | 0 | 113.6 | N59 S63 | N59-K61 WeakPolarHBondContact OD1-CG 3.04Å; N59-K61 PolarHBondContact OD1-N 2.75Å; K61-S63 PolarHBondContact O-N 2.83Å |
| 62 | S | 82.5 | Confident | 89.1 | Confident | 133 Ų | 133 | 70.4 Ų | 70.4 | 93% | 0.93 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.5 | 20.1 | -175.7 | -55.1 | 0 | 0 | 0 | 0 | 117.5 | R60 | R60-S62 PolarHBondContact O-N 2.91Š|
| 63 | S | 87.9 | Confident | 89 | Confident | 59 Ų | 59 | 74.1 Ų | 74.1 | 41% | 0.413 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -104.3 | 160.7 | 176.1 | -179.5 | 0 | 0 | 0 | 0 | 113.1 | R60 K61 T65 | R60-S63 WeakPolarHBondContact CB-O 3.11Å; R60-S63 VanDerWaalsContact CZ-O 3.32Å; R60-S63 PolarHBondContact NE-O 2.02Å; R60-S63 PolarHBondContact NH2-O 3.16Å; R60-S63 WeakPolarHBondContact O-CA 2.96Å; R60-S63 VanDerWaalsContact O-CB 3.26Å; R60-S63 WeakPolarHBondContact O-CB 3.33Å; R60-S63 PolarHBondContact O-N 3.33Å; K61-S63 PolarHBondContact O-N 2.83Å; S63-T65 VanDerWaalsContact CB-O 3.3Å; S63-T65 WeakPolarHBondContact CB-O 3.37Å; S63-T65 PolarHBondContact O-N 3.14Å; S63-T65 PolarHBondContact OG-N 3.45Å; S63-T65 PolarHBondContact OG-O 2.74Å |
| 64 | A | 86.9 | Confident | 89.1 | Confident | 71 Ų | 71 | 73.9 Ų | 73.9 | 59% | 0.587 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -61.5 | -29.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R60 | R60-A64 PolarHBondContact NE-O 3.1Å; R60-A64 VanDerWaalsContact NH2-C 3.27Å; R60-A64 PolarHBondContact NH2-O 2.03Å |
| 65 | T | 91.2 | Very high | 89.3 | Confident | 71 Ų | 71 | 70.3 Ų | 70.3 | 44% | 0.436 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 150.1 | 179.8 | 60.7 | 0 | 0 | 0 | 0 | 110.3 | V44 C45 T46 S63 | V44-T65 HydrophobicContact CG1-CG2 4.45Å; C45-T65 CarbonylContact O-C 3.41Å; C45-T65 WeakPolarHBondContact O-CA 2.98Å; T46-T65 HydrophobicContact CG2-CG2 4.06Å; S63-T65 VanDerWaalsContact CB-O 3.3Å; S63-T65 WeakPolarHBondContact CB-O 3.37Å; S63-T65 PolarHBondContact O-N 3.14Å; S63-T65 PolarHBondContact OG-N 3.45Å; S63-T65 PolarHBondContact OG-O 2.74Å |
| 66 | G | 91.4 | Very high | 89.4 | Confident | 9 Ų | 9 | 68.2 Ų | 68.2 | 9% | 0.093 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | -170.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | V44 C45 N59 | V44-G66 WeakPolarHBondContact CA-O 3.49Å; C45-G66 PolarHBondContact N-O 3.25Å; C45-G66 PolarHBondContact O-N 3.34Å; N59-G66 CarbonylContact O-C 3.58Å; N59-G66 WeakPolarHBondContact O-CA 3.09Å |
| 67 | K | 92.7 | Very high | 89.4 | Confident | 134 Ų | 134 | 70.1 Ų | 70.1 | 58% | 0.583 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 143.2 | 167.6 | -70.4 | -171.2 | 176.4 | -170.7 | 0 | 110.3 | T43 N59 V69 | T43-K67 WeakPolarHBondContact O-CA 3.32Å; N59-K67 PolarHBondContact N-O 2.9Å; N59-K67 PolarHBondContact O-N 2.99Å; K67-V69 HydrophobicContact CB-CG1 4.49Å; K67-V69 PolarHBondContact O-N 3.38Å |
| 68 | C | 92.1 | Very high | 89.4 | Confident | 1 Ų | 1 | 69.3 Ų | 69.3 | 1% | 0.007 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 115.8 | 168.3 | -67.8 | 0 | 0 | 0 | 0 | 109.4 | E42 T43 C45 C51 W56 | E42-C68 WeakPolarHBondContact CA-O 3.26Å; E42-C68 PolarHBondContact N-O 3.19Å; E42-C68 VanDerWaalsContact N-O 3.14Å; T43-C68 PolarHBondContact O-N 2.96Å; C45-C68 VanDerWaalsContact CB-SG 3.58Å; C51-C68 WeakPolarHBondContact CA-SG 3.26Å; C51-C68 HydrophobicContact CB-CB 3.77Å; C51-C68 WeakPolarHBondContact CB-SG 3.38Å; C51-C68 WeakPolarHBondContact SG-CA 3.33Å; C51-C68 WeakPolarHBondContact SG-CB 3.44Å; C51-C68 CovalentContact SG-SG 2.03Å; C51-C68 PolarHBondContact SG-SG 3.29Å; W56-C68 HydrophobicContact CE3-CB 4.12Å; W56-C68 WeakPolarHBondContact CZ3-O 2.96Å |
| 69 | V | 92.3 | Very high | 89.3 | Confident | 51 Ų | 51 | 74.3 Ų | 74.3 | 31% | 0.309 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 155.2 | 175.6 | -60 | 0 | 0 | 0 | 0 | 109.3 | W56 V57 N59 K67 C71 | W56-V69 WeakPolarHBondContact CA-O 3.4Å; V57-V69 HydrophobicContact CG2-CG2 4.1Å; V57-V69 PolarHBondContact N-O 2.95Å; V57-V69 PolarHBondContact O-N 3.3Å; N59-V69 HydrophobicContact CB-CG1 4.33Å; N59-V69 HydrophobicContact CB-CG2 3.64Å; K67-V69 HydrophobicContact CB-CG1 4.49Å; K67-V69 PolarHBondContact O-N 3.38Å; V69-C71 PolarHBondContact O-N 3.12Å |
| 70 | Q | 92.3 | Very high | 89 | Confident | 129 Ų | 129 | 76.9 Ų | 76.9 | 60% | 0.603 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 131.3 | 175.3 | -164.7 | 173.1 | 3.9 | 0 | 0 | 109.1 | D55 | D55-Q70 WeakPolarHBondContact O-CA 3.41Å |
| 71 | C | 90.8 | Very high | 88.7 | Confident | 6 Ų | 6 | 75.4 Ų | 75.4 | 4% | 0.041 | 43% | 0.434 | C | S | . | . | P | Polyproline II helix | trans | -75.4 | 160.6 | 177 | 56.4 | 0 | 0 | 0 | 0 | 111.4 | D55 V57 V69 D83 C85 | D55-C71 WeakPolarHBondContact CA-SG 3.44Å; D55-C71 PolarHBondContact O-N 2.91Å; D55-C71 PolarHBondContact O-SG 2.77Å; V57-C71 HydrophobicContact CB-CB 4.32Å; V57-C71 HydrophobicContact CG1-CB 3.7Å; V57-C71 HydrophobicContact CG2-CB 3.78Å; V69-C71 PolarHBondContact O-N 3.12Å; C71-D83 CarbonylContact C-O 3.52Å; C71-D83 VanDerWaalsContact CA-O 3.28Å; C71-D83 WeakPolarHBondContact CA-O 3.39Å; C71-D83 WeakPolarHBondContact CB-O 3.36Å; C71-C85 HydrophobicContact CB-CB 3.9Å; C71-C85 WeakPolarHBondContact CB-SG 3.46Å; C71-C85 PolarHBondContact O-SG 2.84Å; C71-C85 VanDerWaalsContact O-SG 3.37Å; C71-C85 WeakPolarHBondContact SG-CA 3.37Å; C71-C85 WeakPolarHBondContact SG-CB 3.31Å; C71-C85 CovalentContact SG-SG 2Å; C71-C85 PolarHBondContact SG-SG 2.71Å |
| 72 | A | 91.1 | Very high | 88.6 | Confident | 24 Ų | 24 | 73.1 Ų | 73.1 | 20% | 0.198 | 43% | 0.431 | C | S | . | . | B | Isolated β-bridge | trans | -89.1 | 132 | -177.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | S76 D83 C84 C85 | A72-S76 VanDerWaalsContact C-OG 3.24Å; A72-S76 WeakPolarHBondContact CA-OG 3.06Å; A72-S76 WeakPolarHBondContact CB-OG 3.32Å; A72-D83 PolarHBondContact N-O 3.42Å; A72-C84 WeakPolarHBondContact O-CA 2.91Å; A72-C85 PolarHBondContact O-N 2.91Å |
| 73 | H | 89.7 | Confident | 88.8 | Confident | 111 Ų | 111 | 68 Ų | 68 | 51% | 0.514 | 39% | 0.393 | S | S | . | . | trans | -73.7 | 177 | -177.4 | -71.3 | -85.3 | 0 | 0 | 0 | 112.3 | N75 S76 C94 | H73-N75 PolarHBondContact O-N 3.08Å; H73-S76 PolarHBondContact N-OG 3.15Å; H73-S76 VanDerWaalsContact N-OG 3.17Å; H73-S76 WeakPolarHBondContact O-CB 3.31Å; H73-S76 PolarHBondContact O-N 3.06Å; H73-S76 VanDerWaalsContact O-N 3.16Å; H73-S76 PolarHBondContact O-OG 3.37Å; H73-C94 WeakPolarHBondContact O-CB 3.35Å | ||
| 74 | A | 87.6 | Confident | 88.8 | Confident | 50 Ų | 50 | 65.7 Ų | 65.7 | 41% | 0.413 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 140.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | S76 L96 | A74-S76 PolarHBondContact O-N 3.46Å; A74-S76 VanDerWaalsContact O-N 3.13Å; A74-L96 HydrophobicContact CB-CD1 3.45Å; A74-L96 VanDerWaalsContact CB-CD1 3.45Å; A74-L96 HydrophobicContact CB-CG 3.97Å |
| 75 | N | 88.6 | Confident | 88.8 | Confident | 109 Ų | 109 | 63.6 Ų | 63.6 | 58% | 0.583 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.1 | 9.6 | -176.5 | -60.4 | -15.2 | 0 | 0 | 0 | 115.7 | H73 C94 K95 | H73-N75 PolarHBondContact O-N 3.08Å; N75-C94 WeakPolarHBondContact CA-O 3.31Å; N75-C94 PolarHBondContact N-O 3.49Å; N75-K95 PolarHBondContact OD1-NZ 3Å |
| 76 | S | 90.1 | Very high | 88.4 | Confident | 26 Ų | 26 | 67.1 Ų | 67.1 | 18% | 0.182 | 36% | 0.362 | C | S | . | . | trans | -78.8 | 155.6 | 171.3 | 68 | 0 | 0 | 0 | 0 | 111.5 | A72 H73 A74 S93 C94 | A72-S76 VanDerWaalsContact C-OG 3.24Å; A72-S76 WeakPolarHBondContact CA-OG 3.06Å; A72-S76 WeakPolarHBondContact CB-OG 3.32Å; H73-S76 PolarHBondContact N-OG 3.15Å; H73-S76 VanDerWaalsContact N-OG 3.17Å; H73-S76 WeakPolarHBondContact O-CB 3.31Å; H73-S76 PolarHBondContact O-N 3.06Å; H73-S76 VanDerWaalsContact O-N 3.16Å; H73-S76 PolarHBondContact O-OG 3.37Å; A74-S76 PolarHBondContact O-N 3.46Å; A74-S76 VanDerWaalsContact O-N 3.13Å; S76-S93 WeakPolarHBondContact O-CA 3.39Å; S76-C94 PolarHBondContact O-N 2.87Å | ||
| 77 | P | 90.9 | Very high | 88.1 | Confident | 111 Ų | 111 | 68.5 Ų | 68.5 | 72% | 0.721 | 38% | 0.377 | S | S | * | . | B | Isolated β-bridge | trans | -62.4 | 141.7 | 173.4 | 26.2 | -34.1 | 0 | 0 | 0 | 111.2 | G92 | P77-G92 VanDerWaalsContact CA-O 3.31Å; P77-G92 WeakPolarHBondContact CA-O 2.91Å |
| 78 | C | 90.1 | Very high | 87.9 | Confident | 13 Ų | 13 | 63.2 Ų | 63.2 | 9% | 0.088 | 36% | 0.358 | C | S | . | . | trans | -144.2 | 154.7 | 177.9 | 54.7 | 0 | 0 | 0 | 0 | 110.5 | D83 C89 G92 S93 C94 | C78-D83 HydrophobicContact CB-CB 4.17Å; C78-C89 HydrophobicContact CB-CB 3.76Å; C78-C89 WeakPolarHBondContact CB-SG 3.31Å; C78-C89 PolarHBondContact O-SG 3.38Å; C78-C89 WeakPolarHBondContact SG-CA 3.03Å; C78-C89 WeakPolarHBondContact SG-CB 3.48Å; C78-C89 CovalentContact SG-SG 2.02Å; C78-C89 PolarHBondContact SG-SG 2.02Å; C78-G92 PolarHBondContact N-O 3.3Å; C78-S93 VanDerWaalsContact SG-CA 3.58Å; C78-S93 PolarHBondContact SG-N 3.44Å; C78-S93 VanDerWaalsContact SG-N 3.44Å; C78-C94 VanDerWaalsContact CB-SG 3.58Å; C78-C94 PolarHBondContact SG-N 3Å; C78-C94 VanDerWaalsContact SG-N 3.38Å | ||
| 79 | I | 88 | Confident | 87.7 | Confident | 143 Ų | 143 | 64.6 Ų | 64.6 | 73% | 0.733 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -109.3 | -41.5 | 178.3 | -57.3 | 175.9 | 0 | 0 | 0 | 109.4 | D83 | I79-D83 PolarHBondContact N-OD2 3.47Å; I79-D83 VanDerWaalsContact N-OD2 3.08Å |
| 80 | H | 85.2 | Confident | 87.6 | Confident | 100 Ų | 100 | 66.2 Ų | 66.2 | 46% | 0.463 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -117.5 | 153.2 | -179.2 | -50.4 | 93.9 | 0 | 0 | 0 | 111 | N82 D83 C89 | H80-N82 PolarHBondContact O-N 2.94Å; H80-N82 VanDerWaalsContact O-N 3.15Å; H80-D83 PolarHBondContact N-OD2 2.03Å; H80-D83 IonicContact ND1-OD1 3.85Å; H80-D83 IonicContact ND1-OD2 3.52Å; H80-D83 WeakPolarHBondContact O-CB 2.94Å; H80-D83 PolarHBondContact O-N 2Å; H80-C89 VanDerWaalsContact O-CB 3.31Å; H80-C89 WeakPolarHBondContact O-CB 3.02Å |
| 81 | A | 78.7 | Confident | 87.6 | Confident | 55 Ų | 55 | 70 Ų | 70 | 46% | 0.455 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -55.3 | -34.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | D83 | A81-D83 VanDerWaalsContact C-N 3.33Å; A81-D83 PolarHBondContact O-N 2.99Å |
| 82 | N | 80.4 | Confident | 87.6 | Confident | 130 Ų | 130 | 71.5 Ų | 71.5 | 70% | 0.695 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -85.5 | 0.2 | -177.4 | -63.4 | -9.9 | 0 | 0 | 0 | 114.1 | V57 H80 C84 | V57-N82 WeakPolarHBondContact CB-O 3.34Å; V57-N82 WeakPolarHBondContact CG1-O 3.28Å; H80-N82 PolarHBondContact O-N 2.94Å; H80-N82 VanDerWaalsContact O-N 3.15Å; N82-C84 PolarHBondContact O-N 2.78Å |
| 83 | D | 87 | Confident | 87.6 | Confident | 26 Ų | 26 | 72.4 Ų | 72.4 | 14% | 0.139 | 41% | 0.409 | C | S | . | . | G | 310 helix | trans | -71.8 | -22.5 | 176.1 | -65.8 | -20.9 | 0 | 0 | 0 | 110.9 | C71 A72 C78 I79 H80 A81 | C71-D83 CarbonylContact C-O 3.52Å; C71-D83 VanDerWaalsContact CA-O 3.28Å; C71-D83 WeakPolarHBondContact CA-O 3.39Å; C71-D83 WeakPolarHBondContact CB-O 3.36Å; A72-D83 PolarHBondContact N-O 3.42Å; C78-D83 HydrophobicContact CB-CB 4.17Å; I79-D83 PolarHBondContact N-OD2 3.47Å; I79-D83 VanDerWaalsContact N-OD2 3.08Å; H80-D83 PolarHBondContact N-OD2 2.03Å; H80-D83 IonicContact ND1-OD1 3.85Å; H80-D83 IonicContact ND1-OD2 3.52Å; H80-D83 WeakPolarHBondContact O-CB 2.94Å; H80-D83 PolarHBondContact O-N 2Å; A81-D83 VanDerWaalsContact C-N 3.33Å; A81-D83 PolarHBondContact O-N 2.99Å |
| 84 | C | 88.9 | Confident | 87.6 | Confident | 9 Ų | 9 | 67.1 Ų | 67.1 | 6% | 0.061 | 39% | 0.385 | C | S | . | . | B | Isolated β-bridge | trans | -83.5 | 138.9 | -175.2 | -54.3 | 0 | 0 | 0 | 0 | 112.4 | A72 N82 R86 C94 | A72-C84 WeakPolarHBondContact O-CA 2.91Å; N82-C84 PolarHBondContact O-N 2.78Å; C84-R86 VanDerWaalsContact C-N 3.3Å; C84-R86 PolarHBondContact O-N 3.02Å; C84-C94 WeakPolarHBondContact CA-SG 2.99Å; C84-C94 HydrophobicContact CB-CB 3.73Å; C84-C94 WeakPolarHBondContact CB-SG 3.28Å; C84-C94 WeakPolarHBondContact SG-CA 3.22Å; C84-C94 WeakPolarHBondContact SG-CB 3.15Å; C84-C94 CovalentContact SG-SG 2.03Å; C84-C94 PolarHBondContact SG-SG 2.87Å |
| 85 | C | 86.3 | Confident | 87.6 | Confident | 28 Ų | 28 | 69.1 Ų | 69.1 | 19% | 0.189 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -64.3 | -37.6 | 177.3 | -56.3 | 0 | 0 | 0 | 0 | 112.6 | C71 A72 | C71-C85 HydrophobicContact CB-CB 3.9Å; C71-C85 WeakPolarHBondContact CB-SG 3.46Å; C71-C85 PolarHBondContact O-SG 2.84Å; C71-C85 VanDerWaalsContact O-SG 3.37Å; C71-C85 WeakPolarHBondContact SG-CA 3.37Å; C71-C85 WeakPolarHBondContact SG-CB 3.31Å; C71-C85 CovalentContact SG-SG 2Å; C71-C85 PolarHBondContact SG-SG 2.71Å; A72-C85 PolarHBondContact O-N 2.91Å |
| 86 | R | 83.2 | Confident | 87.4 | Confident | 144 Ų | 144 | 68.3 Ų | 68.3 | 54% | 0.543 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -142.5 | 132.3 | 179.1 | -62.6 | -173.2 | -172.7 | -178.3 | 3.4 | 109.2 | C84 L96 | C84-R86 VanDerWaalsContact C-N 3.3Å; C84-R86 PolarHBondContact O-N 3.02Å; R86-L96 HydrophobicContact CB-CD2 3.66Å |
| 87 | G | 84.8 | Confident | 86.4 | Confident | 38 Ų | 38 | 72.6 Ų | 72.6 | 39% | 0.392 | 40% | 0.398 | S | S | . | . | S | Bend | trans | 88.1 | -145.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | K95 | G87-K95 CarbonylContact C-O 3.59Å; G87-K95 VanDerWaalsContact CA-O 3.28Å; G87-K95 WeakPolarHBondContact CA-O 3.43Å |
| 88 | A | 87.4 | Confident | 85.1 | Confident | 24 Ų | 24 | 70.8 Ų | 70.8 | 20% | 0.198 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 154.5 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112 | I90 K95 | A88-I90 HydrophobicContact CB-CG1 4.36Å; A88-I90 PolarHBondContact O-N 3.16Å; A88-K95 PolarHBondContact N-O 3.17Å; A88-K95 PolarHBondContact O-N 3.28Å |
| 89 | C | 89 | Confident | 83.3 | Confident | 30 Ų | 30 | 78 Ų | 78 | 20% | 0.203 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 107 | 170.8 | -169.8 | 0 | 0 | 0 | 0 | 110.4 | C78 H80 | C78-C89 HydrophobicContact CB-CB 3.76Å; C78-C89 WeakPolarHBondContact CB-SG 3.31Å; C78-C89 PolarHBondContact O-SG 3.38Å; C78-C89 WeakPolarHBondContact SG-CA 3.03Å; C78-C89 WeakPolarHBondContact SG-CB 3.48Å; C78-C89 CovalentContact SG-SG 2.02Å; C78-C89 PolarHBondContact SG-SG 2.02Å; H80-C89 VanDerWaalsContact O-CB 3.31Å; H80-C89 WeakPolarHBondContact O-CB 3.02Å |
| 90 | I | 90.3 | Very high | 81.4 | Confident | 84 Ų | 84 | 79.1 Ų | 79.1 | 43% | 0.431 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 121.8 | -179.3 | -56.9 | -178.2 | 0 | 0 | 0 | 108.5 | A88 G92 S93 K95 | A88-I90 HydrophobicContact CB-CG1 4.36Å; A88-I90 PolarHBondContact O-N 3.16Å; I90-G92 PolarHBondContact O-N 3.13Å; I90-S93 PolarHBondContact N-O 3.24Å; I90-S93 PolarHBondContact O-N 3.41Å; I90-K95 HydrophobicContact CB-CB 4.39Å; I90-K95 HydrophobicContact CB-CG 4.01Å; I90-K95 HydrophobicContact CD1-CB 3.9Å; I90-K95 HydrophobicContact CD1-CG 4.28Å; I90-K95 HydrophobicContact CG1-CB 4.24Å; I90-K95 HydrophobicContact CG1-CG 4.41Å |
| 91 | K | 91 | Very high | 79.8 | Confident | 210 Ų | 210 | 80.7 Ų | 80.7 | 91% | 0.913 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 36.5 | -178.6 | -61.2 | 177.1 | 178.5 | 177.1 | 0 | 112.9 | S93 | K91-S93 VanDerWaalsContact C-N 3.31Å; K91-S93 PolarHBondContact O-N 3.19Å |
| 92 | G | 90.6 | Very high | 78.2 | Confident | 37 Ų | 37 | 86.3 Ų | 86.3 | 38% | 0.381 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78 | 9.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115 | P77 C78 I90 | P77-G92 VanDerWaalsContact CA-O 3.31Å; P77-G92 WeakPolarHBondContact CA-O 2.91Å; C78-G92 PolarHBondContact N-O 3.3Å; I90-G92 PolarHBondContact O-N 3.13Å |
| 93 | S | 91.1 | Very high | 76.3 | Confident | 43 Ų | 43 | 93 Ų | 93 | 30% | 0.301 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 139.8 | 174.9 | -60.9 | 0 | 0 | 0 | 0 | 111.7 | S76 C78 I90 K91 K95 | S76-S93 WeakPolarHBondContact O-CA 3.39Å; C78-S93 VanDerWaalsContact SG-CA 3.58Å; C78-S93 PolarHBondContact SG-N 3.44Å; C78-S93 VanDerWaalsContact SG-N 3.44Å; I90-S93 PolarHBondContact N-O 3.24Å; I90-S93 PolarHBondContact O-N 3.41Å; K91-S93 VanDerWaalsContact C-N 3.31Å; K91-S93 PolarHBondContact O-N 3.19Å; S93-K95 PolarHBondContact O-N 3.33Å |
| 94 | C | 89.8 | Confident | 75.7 | Confident | 0 Ų | 0 | 96.3 Ų | 96.3 | 0% | 0 | 49% | 0.49 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 118.9 | 175.4 | -71.9 | 0 | 0 | 0 | 0 | 110.5 | H73 N75 S76 C78 C84 | H73-C94 WeakPolarHBondContact O-CB 3.35Å; N75-C94 WeakPolarHBondContact CA-O 3.31Å; N75-C94 PolarHBondContact N-O 3.49Å; S76-C94 PolarHBondContact O-N 2.87Å; C78-C94 VanDerWaalsContact CB-SG 3.58Å; C78-C94 PolarHBondContact SG-N 3Å; C78-C94 VanDerWaalsContact SG-N 3.38Å; C84-C94 WeakPolarHBondContact CA-SG 2.99Å; C84-C94 HydrophobicContact CB-CB 3.73Å; C84-C94 WeakPolarHBondContact CB-SG 3.28Å; C84-C94 WeakPolarHBondContact SG-CA 3.22Å; C84-C94 WeakPolarHBondContact SG-CB 3.15Å; C84-C94 CovalentContact SG-SG 2.03Å; C84-C94 PolarHBondContact SG-SG 2.87Å |
| 95 | K | 89.4 | Confident | 75 | Confident | 91 Ų | 91 | 100.9 Ų | 100.9 | 40% | 0.396 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 125.2 | 174.5 | -68.4 | -62.1 | -177.5 | -173.4 | 0 | 108.8 | N75 G87 A88 I90 S93 M97 | N75-K95 PolarHBondContact OD1-NZ 3Å; G87-K95 CarbonylContact C-O 3.59Å; G87-K95 VanDerWaalsContact CA-O 3.28Å; G87-K95 WeakPolarHBondContact CA-O 3.43Å; A88-K95 PolarHBondContact N-O 3.17Å; A88-K95 PolarHBondContact O-N 3.28Å; I90-K95 HydrophobicContact CB-CB 4.39Å; I90-K95 HydrophobicContact CB-CG 4.01Å; I90-K95 HydrophobicContact CD1-CB 3.9Å; I90-K95 HydrophobicContact CD1-CG 4.28Å; I90-K95 HydrophobicContact CG1-CB 4.24Å; I90-K95 HydrophobicContact CG1-CG 4.41Å; S93-K95 PolarHBondContact O-N 3.33Å; K95-M97 PolarHBondContact O-N 3.09Å |
| 96 | L | 82.6 | Confident | 74.4 | Confident | 92 Ų | 92 | 104.9 Ų | 104.9 | 48% | 0.482 | 53% | 0.531 | S | S | . | . | trans | -58.2 | 128 | 170.7 | -83.5 | 147.4 | 0 | 0 | 0 | 108 | A74 R86 S98 | A74-L96 HydrophobicContact CB-CD1 3.45Å; A74-L96 VanDerWaalsContact CB-CD1 3.45Å; A74-L96 HydrophobicContact CB-CG 3.97Å; R86-L96 HydrophobicContact CB-CD2 3.66Å; L96-S98 PolarHBondContact O-N 2.74Å; L96-S98 VanDerWaalsContact O-N 3.09Å | ||
| 97 | M | 70.3 | Confident | 73.9 | Confident | 117 Ų | 117 | 102.6 Ų | 102.6 | 58% | 0.576 | 53% | 0.53 | S | S | * | . | trans | -82.5 | 71.2 | 164.3 | -153.6 | 89.8 | 94 | 0 | 0 | 106 | K95 F99 | K95-M97 PolarHBondContact O-N 3.09Å; M97-F99 VanDerWaalsContact C-N 3.32Å; M97-F99 HydrophobicContact CG-CD2 3.68Å; M97-F99 HydrophobicContact CG-CE2 3.4Å; M97-F99 HydrophobicContact CG-CZ 4.33Å; M97-F99 PolarHBondContact O-N 2.97Å; M97-F99 HydrophobicContact SD-CE2 4.34Å | ||
| 98 | S | 62.4 | Low | 73.2 | Confident | 72 Ų | 72 | 106.7 Ų | 106.7 | 50% | 0.503 | 54% | 0.539 | S | S | . | . | trans | -68.9 | 98.8 | 168.8 | 38.9 | 0 | 0 | 0 | 0 | 107 | L96 D101 | L96-S98 PolarHBondContact O-N 2.74Å; L96-S98 VanDerWaalsContact O-N 3.09Å; S98-D101 WeakPolarHBondContact CB-OD2 3.39Å; S98-D101 PolarHBondContact OG-OD2 3.45Å | ||
| 99 | F | 52.8 | Low | 72.3 | Confident | 164 Ų | 164 | 112.2 Ų | 112.2 | 72% | 0.719 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -83.1 | 8.4 | 159 | -82.9 | -73.5 | 0 | 0 | 0 | 111.5 | M97 | M97-F99 VanDerWaalsContact C-N 3.32Å; M97-F99 HydrophobicContact CG-CD2 3.68Å; M97-F99 HydrophobicContact CG-CE2 3.4Å; M97-F99 HydrophobicContact CG-CZ 4.33Å; M97-F99 PolarHBondContact O-N 2.97Å; M97-F99 HydrophobicContact SD-CE2 4.34Å |
| 100 | F | 49.1 | Very low | 71.1 | Confident | 168 Ų | 168 | 118.1 Ų | 118.1 | 74% | 0.737 | 59% | 0.587 | S | S | * | * | trans | -150 | 72.8 | -176 | -62 | -82.7 | 0 | 0 | 0 | 110.3 | ||||
| 101 | D | 51.4 | Low | 69.6 | Low | 132 Ų | 132 | 120.7 Ų | 120.7 | 71% | 0.706 | 60% | 0.599 | S | S | * | * | trans | -108.3 | 87.8 | 135.2 | -67.3 | -80.7 | 0 | 0 | 0 | 101 | S98 E103 | S98-D101 WeakPolarHBondContact CB-OD2 3.39Å; S98-D101 PolarHBondContact OG-OD2 3.45Å; D101-E103 PolarHBondContact O-N 3.33Å | ||
| 102 | E | 44.5 | Very low | 67.8 | Low | 173 Ų | 173 | 113.3 Ų | 113.3 | 81% | 0.808 | 57% | 0.573 | S | S | * | * | 31.5 | 58.9 | 78.8 | -86.2 | -173.9 | 98.4 | 0 | 0 | 112.4 | |||||
| 103 | E | 39.6 | Very low | 65.7 | Low | 270 Ų | 270 | 120.2 Ų | 120.2 | 100% | 1.262 | 59% | 0.59 | S | S | * | * | trans | -155 | 0 | 143.2 | -116.5 | 168.2 | 84.3 | 0 | 0 | 111.5 | D101 | D101-E103 PolarHBondContact O-N 3.33Š|
Retrieved 103 of 103 residues in 28.5 ms
(Link to these results)