| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 56.1 | Low | 77.4 | Confident | 209 Ų | 209 | 110 Ų | 110 | 100% | 1.03 | 62% | 0.621 | S | S | * | * | 0 | -6.1 | 0 | -57.2 | -161.9 | -91.4 | 0 | 0 | 113.4 | |||||
| 2 | T | 62.3 | Low | 78.6 | Confident | 123 Ų | 123 | 111.8 Ų | 111.8 | 76% | 0.755 | 62% | 0.618 | S | S | * | * | trans | -88.8 | -15.2 | -177 | 44.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 3 | T | 64.1 | Low | 79.8 | Confident | 103 Ų | 103 | 105.4 Ų | 105.4 | 63% | 0.632 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -81.7 | -24.5 | -174.4 | 43.7 | 0 | 0 | 0 | 0 | 114.1 | I5 A6 | T3-I5 VanDerWaalsContact C-N 3.34Å; T3-I5 PolarHBondContact O-N 3.13Å; T3-A6 PolarHBondContact O-N 2.72Å |
| 4 | E | 72.1 | Confident | 80.9 | Confident | 159 Ų | 159 | 103.4 Ų | 103.4 | 74% | 0.743 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -73 | -26.3 | -175.5 | -66.3 | 175.8 | 177.6 | 0 | 0 | 113 | P8 | E4-P8 WeakPolarHBondContact O-CD 3.43Å |
| 5 | I | 77.1 | Confident | 81.8 | Confident | 114 Ų | 114 | 100.4 Ų | 100.4 | 59% | 0.585 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -88.7 | -22.6 | 179 | -54.6 | 166.7 | 0 | 0 | 0 | 111 | T3 P8 L9 | T3-I5 VanDerWaalsContact C-N 3.34Å; T3-I5 PolarHBondContact O-N 3.13Å; I5-P8 WeakPolarHBondContact O-CD 3.31Å; I5-P8 WeakPolarHBondContact O-CG 3.47Å; I5-L9 HydrophobicContact CG2-CD1 3.83Å; I5-L9 HydrophobicContact CG2-CG 4.3Å; I5-L9 WeakPolarHBondContact O-CG 3.41Å; I5-L9 PolarHBondContact O-N 3.2Å |
| 6 | A | 78.4 | Confident | 82.6 | Confident | 39 Ų | 39 | 99.1 Ų | 99.1 | 32% | 0.322 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -67 | -43.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | T3 L9 I10 | T3-A6 PolarHBondContact O-N 2.72Å; A6-L9 PolarHBondContact O-N 3.04Å; A6-I10 WeakPolarHBondContact O-CD1 3.44Å; A6-I10 VanDerWaalsContact O-CG1 3.23Å; A6-I10 WeakPolarHBondContact O-CG1 3.48Å; A6-I10 PolarHBondContact O-N 3.16Å |
| 7 | T | 81.8 | Confident | 83.4 | Confident | 100 Ų | 100 | 100.3 Ų | 100.3 | 61% | 0.613 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -60.1 | -50.8 | -177.6 | -51.1 | 0 | 0 | 0 | 0 | 113.9 | L9 I10 A11 | T7-L9 VanDerWaalsContact C-N 3.32Å; T7-L9 PolarHBondContact O-N 2.7Å; T7-I10 PolarHBondContact O-N 3.04Å; T7-A11 WeakPolarHBondContact O-CB 3.49Å; T7-A11 PolarHBondContact O-N 3Å |
| 8 | P | 88.1 | Confident | 84.1 | Confident | 74 Ų | 74 | 100 Ų | 100 | 48% | 0.481 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -66.2 | -33.4 | 178.1 | 25.3 | -34.3 | 0 | 0 | 0 | 112.6 | E4 I5 A11 F12 | E4-P8 WeakPolarHBondContact O-CD 3.43Å; I5-P8 WeakPolarHBondContact O-CD 3.31Å; I5-P8 WeakPolarHBondContact O-CG 3.47Å; P8-A11 PolarHBondContact O-N 3.48Å; P8-F12 VanDerWaalsContact O-CB 3.27Å; P8-F12 WeakPolarHBondContact O-CB 3.4Å; P8-F12 PolarHBondContact O-N 2.86Å |
| 9 | L | 89.2 | Confident | 84.6 | Confident | 110 Ų | 110 | 101.1 Ų | 101.1 | 58% | 0.576 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -65.4 | -42.5 | 175.7 | -74.6 | 175.3 | 0 | 0 | 0 | 112.1 | I5 A6 T7 F12 G13 | I5-L9 HydrophobicContact CG2-CD1 3.83Å; I5-L9 HydrophobicContact CG2-CG 4.3Å; I5-L9 WeakPolarHBondContact O-CG 3.41Å; I5-L9 PolarHBondContact O-N 3.2Å; A6-L9 PolarHBondContact O-N 3.04Å; T7-L9 VanDerWaalsContact C-N 3.32Å; T7-L9 PolarHBondContact O-N 2.7Å; L9-F12 PolarHBondContact O-N 3Å; L9-G13 PolarHBondContact O-N 3.18Å |
| 10 | I | 90.7 | Very high | 85.2 | Confident | 121 Ų | 121 | 101.8 Ų | 101.8 | 62% | 0.621 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -65.6 | -43.5 | 176.4 | -66.9 | 161.7 | 0 | 0 | 0 | 110.3 | A6 T7 G13 C14 | A6-I10 WeakPolarHBondContact O-CD1 3.44Å; A6-I10 VanDerWaalsContact O-CG1 3.23Å; A6-I10 WeakPolarHBondContact O-CG1 3.48Å; A6-I10 PolarHBondContact O-N 3.16Å; T7-I10 PolarHBondContact O-N 3.04Å; I10-G13 PolarHBondContact O-N 3.28Å; I10-C14 WeakPolarHBondContact O-CB 3.16Å; I10-C14 PolarHBondContact O-N 3.33Å |
| 11 | A | 91 | Very high | 85.6 | Confident | 58 Ų | 58 | 103.7 Ų | 103.7 | 48% | 0.479 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62.2 | -44.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | T7 P8 C14 A15 | T7-A11 WeakPolarHBondContact O-CB 3.49Å; T7-A11 PolarHBondContact O-N 3Å; P8-A11 PolarHBondContact O-N 3.48Å; A11-C14 PolarHBondContact O-N 2.83Å; A11-A15 PolarHBondContact O-N 2.86Å |
| 12 | F | 92.4 | Very high | 87.5 | Confident | 132 Ų | 132 | 99.6 Ų | 99.6 | 58% | 0.579 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.1 | -44.1 | 176.2 | -176.7 | -105.5 | 0 | 0 | 0 | 111.8 | P8 L9 C14 A15 L16 | P8-F12 VanDerWaalsContact O-CB 3.27Å; P8-F12 WeakPolarHBondContact O-CB 3.4Å; P8-F12 PolarHBondContact O-N 2.86Å; L9-F12 PolarHBondContact O-N 3Å; F12-C14 VanDerWaalsContact C-N 3.34Å; F12-C14 PolarHBondContact O-N 3.39Å; F12-A15 PolarHBondContact O-N 3.09Å; F12-L16 HydrophobicContact CD1-CD1 3.9Å; F12-L16 HydrophobicContact CD1-CG 4.37Å; F12-L16 HydrophobicContact CE1-CD1 3.39Å; F12-L16 HydrophobicContact CE1-CG 4.04Å; F12-L16 HydrophobicContact CZ-CD1 3.84Å; F12-L16 HydrophobicContact CZ-CD2 4.21Å; F12-L16 HydrophobicContact CZ-CG 4.12Å; F12-L16 WeakPolarHBondContact O-CG 3.32Å; F12-L16 PolarHBondContact O-N 2.86Å |
| 13 | G | 93.9 | Very high | 89 | Confident | 28 Ų | 28 | 97 Ų | 97 | 29% | 0.289 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.1 | -42.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L9 I10 L16 I17 | L9-G13 PolarHBondContact O-N 3.18Å; I10-G13 PolarHBondContact O-N 3.28Å; G13-L16 PolarHBondContact O-N 2.88Å; G13-I17 WeakPolarHBondContact O-CD1 3.44Å; G13-I17 VanDerWaalsContact O-CG1 3.27Å; G13-I17 WeakPolarHBondContact O-CG1 3.42Å; G13-I17 PolarHBondContact O-N 2.91Å |
| 14 | C | 95.1 | Very high | 90.4 | Very high | 77 Ų | 77 | 98.6 Ų | 98.6 | 52% | 0.52 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.7 | -45.9 | 175.8 | -170.2 | 0 | 0 | 0 | 0 | 111.5 | I10 A11 F12 L16 I17 V18 | I10-C14 WeakPolarHBondContact O-CB 3.16Å; I10-C14 PolarHBondContact O-N 3.33Å; A11-C14 PolarHBondContact O-N 2.83Å; F12-C14 VanDerWaalsContact C-N 3.34Å; F12-C14 PolarHBondContact O-N 3.39Å; C14-L16 VanDerWaalsContact C-N 3.34Å; C14-L16 PolarHBondContact O-N 2.92Å; C14-I17 PolarHBondContact O-N 3.17Å; C14-V18 WeakPolarHBondContact O-CG2 3.47Å; C14-V18 PolarHBondContact O-N 3.09Å |
| 15 | A | 94.3 | Very high | 91.4 | Very high | 59 Ų | 59 | 93.6 Ų | 93.6 | 49% | 0.488 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.9 | -41.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A11 F12 V18 F19 | A11-A15 PolarHBondContact O-N 2.86Å; F12-A15 PolarHBondContact O-N 3.09Å; A15-V18 PolarHBondContact O-N 2.92Å; A15-F19 WeakPolarHBondContact O-CB 3.32Å; A15-F19 PolarHBondContact O-N 2.66Å |
| 16 | L | 95.7 | Very high | 92.1 | Very high | 79 Ų | 79 | 92.6 Ų | 92.6 | 41% | 0.414 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.2 | -41.5 | 176.3 | -71.8 | -177.8 | 0 | 0 | 0 | 112.5 | F12 G13 C14 F19 L20 | F12-L16 HydrophobicContact CD1-CD1 3.9Å; F12-L16 HydrophobicContact CD1-CG 4.37Å; F12-L16 HydrophobicContact CE1-CD1 3.39Å; F12-L16 HydrophobicContact CE1-CG 4.04Å; F12-L16 HydrophobicContact CZ-CD1 3.84Å; F12-L16 HydrophobicContact CZ-CD2 4.21Å; F12-L16 HydrophobicContact CZ-CG 4.12Å; F12-L16 WeakPolarHBondContact O-CG 3.32Å; F12-L16 PolarHBondContact O-N 2.86Å; G13-L16 PolarHBondContact O-N 2.88Å; C14-L16 VanDerWaalsContact C-N 3.34Å; C14-L16 PolarHBondContact O-N 2.92Å; L16-F19 PolarHBondContact O-N 2.75Å; L16-L20 WeakPolarHBondContact O-CB 3.38Å; L16-L20 VanDerWaalsContact O-CG 3.31Å; L16-L20 WeakPolarHBondContact O-CG 3.21Å; L16-L20 PolarHBondContact O-N 3.13Å |
| 17 | I | 95.3 | Very high | 92.8 | Very high | 120 Ų | 120 | 94.2 Ų | 94.2 | 62% | 0.615 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.2 | -45.9 | 178.6 | -68 | 163.6 | 0 | 0 | 0 | 110.5 | G13 C14 F19 L20 F21 | G13-I17 WeakPolarHBondContact O-CD1 3.44Å; G13-I17 VanDerWaalsContact O-CG1 3.27Å; G13-I17 WeakPolarHBondContact O-CG1 3.42Å; G13-I17 PolarHBondContact O-N 2.91Å; C14-I17 PolarHBondContact O-N 3.17Å; I17-F19 VanDerWaalsContact C-N 3.34Å; I17-F19 PolarHBondContact O-N 2.73Å; I17-L20 PolarHBondContact O-N 3.34Å; I17-F21 PolarHBondContact O-N 3.37Å |
| 18 | V | 95.5 | Very high | 93.1 | Very high | 95 Ų | 95 | 91.6 Ų | 91.6 | 58% | 0.576 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63 | -42.2 | 177.5 | 175.6 | 0 | 0 | 0 | 0 | 111 | C14 A15 F21 F22 | C14-V18 WeakPolarHBondContact O-CG2 3.47Å; C14-V18 PolarHBondContact O-N 3.09Å; A15-V18 PolarHBondContact O-N 2.92Å; V18-F21 PolarHBondContact O-N 3.32Å; V18-F22 PolarHBondContact O-N 2.93Å |
| 19 | F | 94.9 | Very high | 93 | Very high | 121 Ų | 121 | 94 Ų | 94 | 53% | 0.531 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.9 | -45.5 | 176.8 | -178.4 | -100.2 | 0 | 0 | 0 | 112.3 | A15 L16 I17 F21 F22 I23 | A15-F19 WeakPolarHBondContact O-CB 3.32Å; A15-F19 PolarHBondContact O-N 2.66Å; L16-F19 PolarHBondContact O-N 2.75Å; I17-F19 VanDerWaalsContact C-N 3.34Å; I17-F19 PolarHBondContact O-N 2.73Å; F19-F21 VanDerWaalsContact C-N 3.33Å; F19-F21 PolarHBondContact O-N 3.48Å; F19-F22 WeakPolarHBondContact O-CB 3.43Å; F19-F22 PolarHBondContact O-N 3.2Å; F19-I23 HydrophobicContact CD1-CG1 4.34Å; F19-I23 HydrophobicContact CE1-CD1 4.42Å; F19-I23 HydrophobicContact CE1-CG1 3.95Å; F19-I23 HydrophobicContact CE2-CD1 4.48Å; F19-I23 HydrophobicContact CZ-CD1 4.07Å; F19-I23 HydrophobicContact CZ-CG1 4.08Å; F19-I23 WeakPolarHBondContact O-CG1 3.2Å; F19-I23 PolarHBondContact O-N 2.83Å |
| 20 | L | 95.1 | Very high | 92.7 | Very high | 115 Ų | 115 | 95.8 Ų | 95.8 | 60% | 0.602 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.8 | -39.8 | 177 | -72.6 | 174.1 | 0 | 0 | 0 | 112.2 | L16 I17 F22 I23 F24 | L16-L20 WeakPolarHBondContact O-CB 3.38Å; L16-L20 VanDerWaalsContact O-CG 3.31Å; L16-L20 WeakPolarHBondContact O-CG 3.21Å; L16-L20 PolarHBondContact O-N 3.13Å; I17-L20 PolarHBondContact O-N 3.34Å; L20-F22 VanDerWaalsContact C-N 3.32Å; L20-F22 PolarHBondContact O-N 3.17Å; L20-I23 PolarHBondContact O-N 2.83Å; L20-F24 WeakPolarHBondContact O-CB 3.44Å; L20-F24 PolarHBondContact O-N 3.1Å |
| 21 | F | 95.3 | Very high | 92.1 | Very high | 142 Ų | 142 | 94.5 Ų | 94.5 | 62% | 0.623 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.7 | -42.1 | 175.4 | -169.9 | -99 | 0 | 0 | 0 | 111.4 | I17 V18 F19 F24 C25 | I17-F21 PolarHBondContact O-N 3.37Å; V18-F21 PolarHBondContact O-N 3.32Å; F19-F21 VanDerWaalsContact C-N 3.33Å; F19-F21 PolarHBondContact O-N 3.48Å; F21-F24 PolarHBondContact O-N 3.27Å; F21-C25 VanDerWaalsContact CE1-SG 3.51Å; F21-C25 PolarHBondContact O-N 2.98Å; F21-C25 PolarHBondContact O-SG 2.77Å |
| 22 | F | 94.8 | Very high | 91 | Very high | 122 Ų | 122 | 98.2 Ų | 98.2 | 54% | 0.535 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.9 | -45.6 | 176.4 | -171.6 | -102.4 | 0 | 0 | 0 | 112.4 | V18 F19 L20 F24 C25 L26 | V18-F22 PolarHBondContact O-N 2.93Å; F19-F22 WeakPolarHBondContact O-CB 3.43Å; F19-F22 PolarHBondContact O-N 3.2Å; L20-F22 VanDerWaalsContact C-N 3.32Å; L20-F22 PolarHBondContact O-N 3.17Å; F22-F24 VanDerWaalsContact C-N 3.35Å; F22-F24 PolarHBondContact O-N 2.92Å; F22-C25 PolarHBondContact O-N 3.32Å; F22-L26 HydrophobicContact CD1-CD1 3.85Å; F22-L26 HydrophobicContact CD1-CG 4.29Å; F22-L26 HydrophobicContact CE1-CD1 3.46Å; F22-L26 VanDerWaalsContact CE1-CD1 3.46Å; F22-L26 HydrophobicContact CE1-CG 4.03Å; F22-L26 HydrophobicContact CZ-CD1 4.14Å; F22-L26 HydrophobicContact CZ-CD2 4.39Å; F22-L26 HydrophobicContact CZ-CG 4.34Å; F22-L26 WeakPolarHBondContact O-CG 3.31Å; F22-L26 PolarHBondContact O-N 2.63Å |
| 23 | I | 94.4 | Very high | 89.6 | Confident | 70 Ų | 70 | 95.3 Ų | 95.3 | 36% | 0.359 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.4 | -43.9 | 175.3 | -62.2 | -60.8 | 0 | 0 | 0 | 111 | F19 L20 C25 L26 V27 | F19-I23 HydrophobicContact CD1-CG1 4.34Å; F19-I23 HydrophobicContact CE1-CD1 4.42Å; F19-I23 HydrophobicContact CE1-CG1 3.95Å; F19-I23 HydrophobicContact CE2-CD1 4.48Å; F19-I23 HydrophobicContact CZ-CD1 4.07Å; F19-I23 HydrophobicContact CZ-CG1 4.08Å; F19-I23 WeakPolarHBondContact O-CG1 3.2Å; F19-I23 PolarHBondContact O-N 2.83Å; L20-I23 PolarHBondContact O-N 2.83Å; I23-C25 VanDerWaalsContact C-N 3.33Å; I23-C25 PolarHBondContact O-N 2.89Å; I23-L26 PolarHBondContact O-N 2.94Å; I23-V27 HydrophobicContact CG2-CG2 4.28Å; I23-V27 VanDerWaalsContact O-CG2 3.32Å; I23-V27 WeakPolarHBondContact O-CG2 3.23Å; I23-V27 PolarHBondContact O-N 3.41Å |
| 24 | F | 94.2 | Very high | 88 | Confident | 136 Ų | 136 | 96.7 Ų | 96.7 | 60% | 0.596 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.6 | -41.3 | 177.1 | -178 | -97.5 | 0 | 0 | 0 | 112 | L20 F21 F22 V27 S28 | L20-F24 WeakPolarHBondContact O-CB 3.44Å; L20-F24 PolarHBondContact O-N 3.1Å; F21-F24 PolarHBondContact O-N 3.27Å; F22-F24 VanDerWaalsContact C-N 3.35Å; F22-F24 PolarHBondContact O-N 2.92Å; F24-V27 PolarHBondContact O-N 2.98Å; F24-S28 WeakPolarHBondContact CE1-OG 3.32Å; F24-S28 VanDerWaalsContact O-CB 3.24Å; F24-S28 WeakPolarHBondContact O-CB 3.22Å; F24-S28 PolarHBondContact O-N 2.97Å; F24-S28 PolarHBondContact O-OG 2.96Å |
| 25 | C | 92.5 | Very high | 86.1 | Confident | 54 Ų | 54 | 98.9 Ų | 98.9 | 37% | 0.365 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.4 | -44 | 173.9 | -72.2 | 0 | 0 | 0 | 0 | 112.1 | F21 F22 I23 S28 H29 | F21-C25 VanDerWaalsContact CE1-SG 3.51Å; F21-C25 PolarHBondContact O-N 2.98Å; F21-C25 PolarHBondContact O-SG 2.77Å; F22-C25 PolarHBondContact O-N 3.32Å; I23-C25 VanDerWaalsContact C-N 3.33Å; I23-C25 PolarHBondContact O-N 2.89Å; C25-S28 PolarHBondContact O-N 3.27Å; C25-H29 VanDerWaalsContact O-CB 3.28Å; C25-H29 WeakPolarHBondContact O-CB 3.19Å; C25-H29 PolarHBondContact O-N 3.27Å |
| 26 | L | 91.6 | Very high | 84 | Confident | 92 Ų | 92 | 100.8 Ų | 100.8 | 48% | 0.482 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.3 | -45.8 | 177.4 | -72.7 | -179 | 0 | 0 | 0 | 112 | F22 I23 H29 H30 | F22-L26 HydrophobicContact CD1-CD1 3.85Å; F22-L26 HydrophobicContact CD1-CG 4.29Å; F22-L26 HydrophobicContact CE1-CD1 3.46Å; F22-L26 VanDerWaalsContact CE1-CD1 3.46Å; F22-L26 HydrophobicContact CE1-CG 4.03Å; F22-L26 HydrophobicContact CZ-CD1 4.14Å; F22-L26 HydrophobicContact CZ-CD2 4.39Å; F22-L26 HydrophobicContact CZ-CG 4.34Å; F22-L26 WeakPolarHBondContact O-CG 3.31Å; F22-L26 PolarHBondContact O-N 2.63Å; I23-L26 PolarHBondContact O-N 2.94Å; L26-H29 PolarHBondContact O-N 3.44Å; L26-H30 VanDerWaalsContact O-CB 3.31Å; L26-H30 WeakPolarHBondContact O-CB 3.24Å; L26-H30 PolarHBondContact O-N 2.94Å |
| 27 | V | 91.9 | Very high | 81.8 | Confident | 73 Ų | 73 | 106.1 Ų | 106.1 | 44% | 0.442 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.1 | -44.2 | 177.4 | 172.6 | 0 | 0 | 0 | 0 | 110.5 | I23 F24 H29 H30 I31 | I23-V27 HydrophobicContact CG2-CG2 4.28Å; I23-V27 VanDerWaalsContact O-CG2 3.32Å; I23-V27 WeakPolarHBondContact O-CG2 3.23Å; I23-V27 PolarHBondContact O-N 3.41Å; F24-V27 PolarHBondContact O-N 2.98Å; V27-H29 PolarHBondContact O-N 3.43Å; V27-H30 PolarHBondContact O-N 3.24Å; V27-I31 HydrophobicContact CG1-CD1 3.6Å; V27-I31 HydrophobicContact CG1-CG1 4.32Å; V27-I31 WeakPolarHBondContact O-CB 3.44Å; V27-I31 VanDerWaalsContact O-CG1 3.22Å; V27-I31 WeakPolarHBondContact O-CG1 3.42Å; V27-I31 PolarHBondContact O-N 3.04Å |
| 28 | S | 88.8 | Confident | 79.4 | Confident | 45 Ų | 45 | 107.4 Ų | 107.4 | 32% | 0.315 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.6 | -44 | 177.6 | -60 | 0 | 0 | 0 | 0 | 111.4 | F24 C25 I31 L32 | F24-S28 WeakPolarHBondContact CE1-OG 3.32Å; F24-S28 VanDerWaalsContact O-CB 3.24Å; F24-S28 WeakPolarHBondContact O-CB 3.22Å; F24-S28 PolarHBondContact O-N 2.97Å; F24-S28 PolarHBondContact O-OG 2.96Å; C25-S28 PolarHBondContact O-N 3.27Å; S28-I31 PolarHBondContact O-N 3.04Å; S28-L32 WeakPolarHBondContact O-CB 3.47Å; S28-L32 PolarHBondContact O-N 3.05Å |
| 29 | H | 85.9 | Confident | 77 | Confident | 126 Ų | 126 | 108 Ų | 108 | 58% | 0.583 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -63.8 | -43.1 | 176.3 | -173.3 | -86.6 | 0 | 0 | 0 | 111.4 | C25 L26 V27 I31 L32 C33 | C25-H29 VanDerWaalsContact O-CB 3.28Å; C25-H29 WeakPolarHBondContact O-CB 3.19Å; C25-H29 PolarHBondContact O-N 3.27Å; L26-H29 PolarHBondContact O-N 3.44Å; V27-H29 PolarHBondContact O-N 3.43Å; H29-I31 PolarHBondContact O-N 2.91Å; H29-L32 PolarHBondContact O-N 2.84Å; H29-C33 PolarHBondContact CE1-SG 2.84Å; H29-C33 VanDerWaalsContact O-CB 3.23Å; H29-C33 WeakPolarHBondContact O-CB 3.28Å; H29-C33 PolarHBondContact O-N 3.49Å; H29-C33 PolarHBondContact O-SG 2.87Å; H29-C33 VanDerWaalsContact O-SG 3.4Å |
| 30 | H | 82.3 | Confident | 74.4 | Confident | 147 Ų | 147 | 110.9 Ų | 110.9 | 68% | 0.681 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -61.7 | -43.5 | 176.4 | -173.4 | -83.5 | 0 | 0 | 0 | 112 | L26 V27 G34 | L26-H30 VanDerWaalsContact O-CB 3.31Å; L26-H30 WeakPolarHBondContact O-CB 3.24Å; L26-H30 PolarHBondContact O-N 2.94Å; V27-H30 PolarHBondContact O-N 3.24Å; H30-G34 PolarHBondContact O-N 2.86Å |
| 31 | I | 78.2 | Confident | 72 | Confident | 93 Ų | 93 | 111.9 Ų | 111.9 | 48% | 0.477 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -68.3 | -43.2 | 177.3 | -65.6 | 167.2 | 0 | 0 | 0 | 110.7 | V27 S28 H29 G34 H35 | V27-I31 HydrophobicContact CG1-CD1 3.6Å; V27-I31 HydrophobicContact CG1-CG1 4.32Å; V27-I31 WeakPolarHBondContact O-CB 3.44Å; V27-I31 VanDerWaalsContact O-CG1 3.22Å; V27-I31 WeakPolarHBondContact O-CG1 3.42Å; V27-I31 PolarHBondContact O-N 3.04Å; S28-I31 PolarHBondContact O-N 3.04Å; H29-I31 PolarHBondContact O-N 2.91Å; I31-G34 PolarHBondContact O-N 2.96Å; I31-H35 WeakPolarHBondContact O-CB 3.42Å; I31-H35 PolarHBondContact O-N 2.93Å |
| 32 | L | 68.2 | Low | 69.5 | Low | 136 Ų | 136 | 114 Ų | 114 | 71% | 0.712 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -70.5 | -41.9 | -176.8 | -154.8 | 77 | 0 | 0 | 0 | 111.8 | S28 H29 G34 H35 S36 | S28-L32 WeakPolarHBondContact O-CB 3.47Å; S28-L32 PolarHBondContact O-N 3.05Å; H29-L32 PolarHBondContact O-N 2.84Å; L32-G34 VanDerWaalsContact C-N 3.31Å; L32-H35 PolarHBondContact O-N 2.87Å; L32-S36 PolarHBondContact O-N 2.73Å |
| 33 | C | 63.4 | Low | 67 | Low | 71 Ų | 71 | 113.4 Ų | 113.4 | 48% | 0.48 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -67.6 | -31.9 | 171.5 | -71.1 | 0 | 0 | 0 | 0 | 112 | H29 | H29-C33 PolarHBondContact CE1-SG 2.84Å; H29-C33 VanDerWaalsContact O-CB 3.23Å; H29-C33 WeakPolarHBondContact O-CB 3.28Å; H29-C33 PolarHBondContact O-N 3.49Å; H29-C33 PolarHBondContact O-SG 2.87Å; H29-C33 VanDerWaalsContact O-SG 3.4Å |
| 34 | G | 59.5 | Low | 64.6 | Low | 57 Ų | 57 | 118.7 Ų | 118.7 | 59% | 0.588 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -70.5 | -33.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | H30 I31 L32 | H30-G34 PolarHBondContact O-N 2.86Å; I31-G34 PolarHBondContact O-N 2.96Å; L32-G34 VanDerWaalsContact C-N 3.31Å |
| 35 | H | 56 | Low | 62.2 | Low | 123 Ų | 123 | 120 Ų | 120 | 57% | 0.569 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -91.5 | -9.9 | -177.1 | -99 | -88.3 | 0 | 0 | 0 | 115.3 | I31 L32 K37 Q38 | I31-H35 WeakPolarHBondContact O-CB 3.42Å; I31-H35 PolarHBondContact O-N 2.93Å; L32-H35 PolarHBondContact O-N 2.87Å; H35-K37 PolarHBondContact O-N 2.83Å; H35-Q38 PolarHBondContact O-N 3.47Å |
| 36 | S | 50.1 | Low | 59.8 | Low | 99 Ų | 99 | 122.7 Ų | 122.7 | 69% | 0.692 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | -0 | -177.2 | 97.2 | 0 | 0 | 0 | 0 | 114.4 | L32 | L32-S36 PolarHBondContact O-N 2.73Š|
| 37 | K | 50.7 | Low | 57.6 | Low | 191 Ų | 191 | 124.2 Ų | 124.2 | 83% | 0.83 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.5 | 24.5 | 175.3 | -65.9 | -166.8 | 177.8 | -174.1 | 0 | 114.1 | H35 P39 | H35-K37 PolarHBondContact O-N 2.83Å; K37-P39 VanDerWaalsContact C-CD 3.4Å; K37-P39 WeakPolarHBondContact O-CD 3.5Å |
| 38 | Q | 43.2 | Very low | 55.6 | Low | 147 Ų | 147 | 127.1 Ų | 127.1 | 69% | 0.687 | 69% | 0.693 | S | S | * | * | trans | -111.8 | 80 | 176.9 | -165.4 | -179.3 | 4.7 | 0 | 0 | 112.3 | H35 | H35-Q38 PolarHBondContact O-N 3.47Š| ||
| 39 | P | 45.5 | Very low | 53.1 | Low | 107 Ų | 107 | 132.2 Ų | 132.2 | 70% | 0.695 | 72% | 0.717 | S | S | * | * | trans | -83 | 131.9 | 163.8 | 29.7 | -25.4 | 0 | 0 | 0 | 110.4 | K37 T41 | K37-P39 VanDerWaalsContact C-CD 3.4Å; K37-P39 WeakPolarHBondContact O-CD 3.5Å; P39-T41 PolarHBondContact O-N 2.92Å | ||
| 40 | Q | 41.4 | Very low | 51.3 | Low | 183 Ų | 183 | 132.5 Ų | 132.5 | 86% | 0.855 | 73% | 0.728 | S | S | * | * | trans | -63.8 | 120.8 | -179.2 | -63.8 | -170 | -21.5 | 0 | 0 | 112.1 | ||||
| 41 | T | 44.2 | Very low | 49.5 | Very low | 136 Ų | 136 | 131.4 Ų | 131.4 | 83% | 0.834 | 73% | 0.727 | S | S | * | * | trans | -92.9 | 107.3 | 173.4 | -48.7 | 0 | 0 | 0 | 0 | 110.6 | P39 | P39-T41 PolarHBondContact O-N 2.92Š| ||
| 42 | F | 42 | Very low | 48 | Very low | 187 Ų | 187 | 135.3 Ų | 135.3 | 82% | 0.82 | 74% | 0.741 | S | S | * | * | trans | -80.7 | 143.6 | 161 | -112.7 | -94.6 | 0 | 0 | 0 | 109.4 | ||||
| 43 | P | 42.2 | Very low | 46.9 | Very low | 108 Ų | 108 | 139 Ų | 139 | 70% | 0.701 | 75% | 0.747 | S | S | * | * | trans | -95.1 | 125 | -171.6 | 34.7 | -29.2 | 0 | 0 | 0 | 112 | ||||
| 44 | Q | 45.6 | Very low | 46.1 | Very low | 182 Ų | 182 | 141 Ų | 141 | 85% | 0.85 | 76% | 0.759 | S | S | * | * | trans | -145.3 | 104 | 159.8 | -70.1 | -160.9 | 18.6 | 0 | 0 | 108.7 | ||||
| 45 | L | 42 | Very low | 45.4 | Very low | 163 Ų | 163 | 143.2 Ų | 143.2 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | 75.4 | 142.6 | 98 | -93.9 | 100.7 | 0 | 0 | 0 | 115.6 | |||||
| 46 | P | 42.5 | Very low | 44.8 | Very low | 110 Ų | 110 | 142.3 Ų | 142.3 | 71% | 0.714 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 170.1 | -144.4 | -3.8 | 24.9 | 0 | 0 | 0 | 115.7 | ||
| 47 | P | 47.1 | Very low | 44.8 | Very low | 125 Ų | 125 | 142.9 Ų | 142.9 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 144.6 | -158.5 | 34.8 | -34.1 | 0 | 0 | 0 | 113.9 | ||
| 48 | V | 48.4 | Very low | 44.5 | Very low | 133 Ų | 133 | 142.2 Ų | 142.2 | 81% | 0.806 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -102.4 | 117 | 170.8 | 166.1 | 0 | 0 | 0 | 0 | 109.3 | ||
| 49 | D | 36.9 | Very low | 44.6 | Very low | 152 Ų | 152 | 140.1 Ų | 140.1 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 131.3 | 165.8 | -83.3 | -49.9 | 0 | 0 | 0 | 111.5 | ||
| 50 | T | 47.4 | Very low | 44.5 | Very low | 133 Ų | 133 | 144 Ų | 144 | 82% | 0.816 | 79% | 0.792 | S | S | * | * | trans | -152.7 | 112.8 | 150.8 | -16.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 51 | N | 45.2 | Very low | 44.9 | Very low | 123 Ų | 123 | 141.6 Ų | 141.6 | 66% | 0.658 | 78% | 0.781 | S | S | * | * | trans | -62.2 | 158.5 | 172.4 | -62.2 | -83.4 | 0 | 0 | 0 | 113.3 | ||||
| 52 | F | 47.6 | Very low | 45.3 | Very low | 175 Ų | 175 | 141.6 Ų | 141.6 | 77% | 0.768 | 77% | 0.774 | S | S | * | * | trans | 84.8 | 111.1 | 152.3 | -59.5 | -81.4 | 0 | 0 | 0 | 121 | ||||
| 53 | Y | 45.1 | Very low | 45.9 | Very low | 214 Ų | 214 | 140.8 Ų | 140.8 | 84% | 0.839 | 77% | 0.771 | S | S | * | * | 163.2 | 156 | 102.1 | -100.8 | -86 | 0 | 0 | 0 | 110.7 | |||||
| 54 | P | 46.2 | Very low | 46.6 | Very low | 114 Ų | 114 | 144.4 Ų | 144.4 | 74% | 0.74 | 78% | 0.778 | S | S | * | * | trans | -91.2 | 161.3 | -161.9 | 37.1 | -30.3 | 0 | 0 | 0 | 114.4 | ||||
| 55 | A | 45.2 | Very low | 47.1 | Very low | 102 Ų | 102 | 144 Ų | 144 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | trans | -21 | 130.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 56 | S | 42.5 | Very low | 47.6 | Very low | 105 Ų | 105 | 141.5 Ų | 141.5 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | trans | -113.9 | 125.2 | 154.8 | 167.3 | 0 | 0 | 0 | 0 | 108.4 | H58 | S56-H58 PolarHBondContact O-N 3.38Š| ||
| 57 | P | 49.2 | Very low | 48 | Very low | 110 Ų | 110 | 144.5 Ų | 144.5 | 71% | 0.714 | 78% | 0.779 | S | S | * | * | trans | -98.8 | 50.3 | -170.9 | 39.3 | -34.2 | 0 | 0 | 0 | 112.2 | ||||
| 58 | H | 45.3 | Very low | 47.7 | Very low | 177 Ų | 177 | 146.4 Ų | 146.4 | 82% | 0.819 | 78% | 0.777 | S | S | * | * | trans | -152.6 | 73.6 | 172.5 | -76.3 | -41 | 0 | 0 | 0 | 111.8 | S56 | S56-H58 PolarHBondContact O-N 3.38Š| ||
| 59 | S | 45.2 | Very low | 47.5 | Very low | 103 Ų | 103 | 145.4 Ų | 145.4 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | trans | -168.1 | 92.5 | 156.8 | -161.5 | 0 | 0 | 0 | 0 | 109.2 | H61 | S59-H61 PolarHBondContact O-N 3.43Š| ||
| 60 | M | 44.1 | Very low | 48 | Very low | 188 Ų | 188 | 146.2 Ų | 146.2 | 93% | 0.926 | 78% | 0.775 | S | S | * | * | trans | -77.2 | 63.1 | 165.8 | -165.7 | 177.5 | -172.9 | 0 | 0 | 108.3 | ||||
| 61 | H | 49.7 | Very low | 48 | Very low | 134 Ų | 134 | 148.2 Ų | 148.2 | 62% | 0.62 | 78% | 0.775 | S | S | * | * | trans | -96.4 | 104.6 | 161.3 | -170.4 | -75.4 | 0 | 0 | 0 | 105 | S59 K63 | S59-H61 PolarHBondContact O-N 3.43Å; H61-K63 PolarHBondContact O-N 3.22Å | ||
| 62 | I | 52.7 | Low | 48.3 | Very low | 135 Ų | 135 | 150.6 Ų | 150.6 | 69% | 0.692 | 78% | 0.783 | S | S | * | * | trans | -59.9 | 92.6 | 171.3 | -59.5 | 169.9 | 0 | 0 | 0 | 105.9 | E64 | I62-E64 HydrophobicContact CG2-CG 4.43Å; I62-E64 PolarHBondContact O-N 3.42Å | ||
| 63 | K | 53.4 | Low | 48.5 | Very low | 171 Ų | 171 | 149.8 Ų | 149.8 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | trans | -82 | 106.7 | 160.3 | -76.6 | -177.5 | 176.7 | 179.6 | 0 | 103.5 | H61 E65 | H61-K63 PolarHBondContact O-N 3.22Å; K63-E65 VanDerWaalsContact C-N 3.27Å; K63-E65 PolarHBondContact O-N 2.96Å | ||
| 64 | E | 57 | Low | 48.8 | Very low | 184 Ų | 184 | 145.1 Ų | 145.1 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | trans | -56 | 98.5 | 166.7 | -67.6 | -176.4 | 156.2 | 0 | 0 | 107.3 | I62 | I62-E64 HydrophobicContact CG2-CG 4.43Å; I62-E64 PolarHBondContact O-N 3.42Å | ||
| 65 | E | 55.9 | Low | 48.8 | Very low | 173 Ų | 173 | 146.7 Ų | 146.7 | 81% | 0.808 | 77% | 0.773 | S | S | * | * | trans | -82.1 | 117.9 | 173.1 | -154.3 | 169.7 | -161.8 | 0 | 0 | 106 | K63 L67 | K63-E65 VanDerWaalsContact C-N 3.27Å; K63-E65 PolarHBondContact O-N 2.96Å; E65-L67 PolarHBondContact O-N 3.02Å | ||
| 66 | P | 52.7 | Low | 49.1 | Very low | 110 Ų | 110 | 149.7 Ų | 149.7 | 71% | 0.714 | 77% | 0.774 | S | S | * | * | trans | -66.6 | 113.7 | -178.5 | 23.8 | -29.7 | 0 | 0 | 0 | 108.8 | Q68 | P66-Q68 PolarHBondContact O-N 2.88Š| ||
| 67 | L | 50.3 | Low | 49.5 | Very low | 173 Ų | 173 | 152.6 Ų | 152.6 | 91% | 0.906 | 77% | 0.773 | S | S | * | * | trans | -58.9 | 100.8 | 174.7 | -68.8 | 170.9 | 0 | 0 | 0 | 109.3 | E65 C69 | E65-L67 PolarHBondContact O-N 3.02Å; L67-C69 VanDerWaalsContact C-N 3.33Å; L67-C69 PolarHBondContact O-N 3.49Å | ||
| 68 | Q | 42.5 | Very low | 49.7 | Very low | 166 Ų | 166 | 155.1 Ų | 155.1 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | trans | -73.3 | 90.1 | 166.8 | -72.1 | -175.9 | 5.5 | 0 | 0 | 108.2 | P66 M70 | P66-Q68 PolarHBondContact O-N 2.88Å; Q68-M70 PolarHBondContact O-N 3.35Å | ||
| 69 | C | 44.1 | Very low | 50.1 | Low | 112 Ų | 112 | 153.4 Ų | 153.4 | 76% | 0.757 | 77% | 0.774 | S | S | * | * | trans | -68.6 | 113.6 | 164.3 | -173.3 | 0 | 0 | 0 | 0 | 108 | L67 Q71 | L67-C69 VanDerWaalsContact C-N 3.33Å; L67-C69 PolarHBondContact O-N 3.49Å; C69-Q71 PolarHBondContact O-N 3.15Å | ||
| 70 | M | 46.3 | Very low | 50.3 | Low | 168 Ų | 168 | 157.8 Ų | 157.8 | 83% | 0.828 | 78% | 0.783 | S | S | * | * | trans | -60 | 97.9 | 169.7 | -76.6 | -83.9 | 140.6 | 0 | 0 | 108.9 | Q68 | Q68-M70 PolarHBondContact O-N 3.35Š| ||
| 71 | Q | 48.2 | Very low | 50.6 | Low | 175 Ų | 175 | 157 Ų | 157 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | -90.9 | 102.1 | 168.9 | -166.4 | 170.5 | 22 | 0 | 0 | 107.7 | C69 E73 | C69-Q71 PolarHBondContact O-N 3.15Å; Q71-E73 PolarHBondContact O-N 2.79Å | ||
| 72 | E | 50.6 | Low | 50.6 | Low | 174 Ų | 174 | 155.5 Ų | 155.5 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | trans | -58.2 | 99.6 | 168.4 | -167.9 | 173.3 | 176.9 | 0 | 0 | 108.1 | T74 | E72-T74 PolarHBondContact O-N 3.25Š| ||
| 73 | E | 51.8 | Low | 50.4 | Low | 158 Ų | 158 | 156.6 Ų | 156.6 | 74% | 0.738 | 80% | 0.795 | S | S | * | * | trans | -66.9 | 85 | 169.3 | -76.2 | -171.7 | 145.3 | 0 | 0 | 108.5 | Q71 Q75 | Q71-E73 PolarHBondContact O-N 2.79Å; E73-Q75 PolarHBondContact O-N 2.75Å | ||
| 74 | T | 51.3 | Low | 50.7 | Low | 116 Ų | 116 | 152 Ų | 152 | 71% | 0.712 | 79% | 0.785 | S | S | * | * | trans | -64.9 | 86.7 | 151.4 | 34.3 | 0 | 0 | 0 | 0 | 107.1 | E72 L76 | E72-T74 PolarHBondContact O-N 3.25Å; T74-L76 VanDerWaalsContact C-N 3.28Å; T74-L76 PolarHBondContact O-N 2.97Å | ||
| 75 | Q | 47.7 | Very low | 51 | Low | 147 Ų | 147 | 153.8 Ų | 153.8 | 69% | 0.687 | 79% | 0.79 | S | S | * | * | trans | -55.1 | 97.1 | 163.6 | -77.2 | -177.3 | 34.9 | 0 | 0 | 107.7 | E73 K77 | E73-Q75 PolarHBondContact O-N 2.75Å; Q75-K77 PolarHBondContact O-N 3.16Å | ||
| 76 | L | 51 | Low | 51.5 | Low | 164 Ų | 164 | 149.5 Ų | 149.5 | 86% | 0.859 | 78% | 0.775 | S | S | * | * | trans | -62.3 | 89.5 | 158.2 | -90.5 | 154.6 | 0 | 0 | 0 | 106.3 | T74 M78 | T74-L76 VanDerWaalsContact C-N 3.28Å; T74-L76 PolarHBondContact O-N 2.97Å; L76-M78 VanDerWaalsContact C-N 3.3Å; L76-M78 PolarHBondContact O-N 3.42Å | ||
| 77 | K | 51.3 | Low | 52.7 | Low | 166 Ų | 166 | 149.1 Ų | 149.1 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | trans | -54.7 | 101.6 | 160.9 | -79.6 | 179 | 173.2 | 179.4 | 0 | 106.3 | Q75 D79 | Q75-K77 PolarHBondContact O-N 3.16Å; K77-D79 PolarHBondContact O-N 3.38Å | ||
| 78 | M | 52.1 | Low | 54.4 | Low | 163 Ų | 163 | 146.6 Ų | 146.6 | 80% | 0.803 | 75% | 0.754 | S | S | * | * | trans | -66.3 | 92.5 | 160.3 | -82.2 | -166 | -178.3 | 0 | 0 | 106.1 | L76 E80 | L76-M78 VanDerWaalsContact C-N 3.3Å; L76-M78 PolarHBondContact O-N 3.42Å; M78-E80 VanDerWaalsContact C-N 3.27Å; M78-E80 PolarHBondContact O-N 3.01Å | ||
| 79 | D | 54.3 | Low | 56.3 | Low | 142 Ų | 142 | 140.4 Ų | 140.4 | 76% | 0.759 | 73% | 0.734 | S | S | * | * | trans | -65.9 | 98 | 160 | -80.4 | -27.7 | 0 | 0 | 0 | 106.5 | K77 Q81 | K77-D79 PolarHBondContact O-N 3.38Å; D79-Q81 PolarHBondContact O-N 3.38Å | ||
| 80 | E | 49.8 | Very low | 58.4 | Low | 194 Ų | 194 | 139.8 Ų | 139.8 | 91% | 0.907 | 72% | 0.723 | S | S | * | * | trans | -60.2 | 85.6 | 164.8 | -82 | -171.2 | 124.8 | 0 | 0 | 108.9 | M78 | M78-E80 VanDerWaalsContact C-N 3.27Å; M78-E80 PolarHBondContact O-N 3.01Å | ||
| 81 | Q | 50 | Low | 60.3 | Low | 172 Ų | 172 | 135.5 Ų | 135.5 | 80% | 0.804 | 70% | 0.703 | S | S | * | * | trans | -153.6 | 93.7 | 162.3 | -154.9 | 172.7 | 18.2 | 0 | 0 | 110.8 | D79 | D79-Q81 PolarHBondContact O-N 3.38Š| ||
| 82 | S | 49.3 | Very low | 62.2 | Low | 102 Ų | 102 | 132.1 Ų | 132.1 | 71% | 0.713 | 69% | 0.69 | S | S | * | * | 161.7 | 106.6 | 123.7 | -72.3 | 0 | 0 | 0 | 0 | 109.5 | S84 | S82-S84 PolarHBondContact O-N 2.87Š| |||
| 83 | T | 49.6 | Very low | 64 | Low | 158 Ų | 158 | 129.7 Ų | 129.7 | 97% | 0.969 | 68% | 0.677 | S | S | * | * | trans | -65.5 | 66.3 | 157.8 | 37.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 84 | S | 59.4 | Low | 65.7 | Low | 76 Ų | 76 | 129 Ų | 129 | 53% | 0.531 | 67% | 0.671 | S | S | . | * | trans | -91.2 | 135.6 | 162.9 | 163.7 | 0 | 0 | 0 | 0 | 107.1 | S82 T86 | S82-S84 PolarHBondContact O-N 2.87Å; S84-T86 WeakPolarHBondContact CB-OG1 3.31Å; S84-T86 PolarHBondContact O-N 2.93Å; S84-T86 PolarHBondContact O-OG1 2.91Å; S84-T86 PolarHBondContact OG-OG1 3.48Å | ||
| 85 | K | 63.6 | Low | 67.5 | Low | 221 Ų | 221 | 130.4 Ų | 130.4 | 96% | 0.961 | 66% | 0.664 | S | S | * | * | trans | -72.2 | 56.3 | 173.2 | -152.4 | 179.5 | -170.8 | -179 | 0 | 108.7 | ||||
| 86 | T | 65.6 | Low | 69.4 | Low | 82 Ų | 82 | 129.5 Ų | 129.5 | 50% | 0.503 | 66% | 0.663 | S | S | . | * | trans | -73.5 | 134.3 | 176.5 | -43.2 | 0 | 0 | 0 | 0 | 106.9 | S84 I88 D90 | S84-T86 WeakPolarHBondContact CB-OG1 3.31Å; S84-T86 PolarHBondContact O-N 2.93Å; S84-T86 PolarHBondContact O-OG1 2.91Å; S84-T86 PolarHBondContact OG-OG1 3.48Å; T86-I88 PolarHBondContact O-N 3.44Å; T86-D90 HydrophobicContact CG2-CB 4.35Å | ||
| 87 | D | 78.2 | Confident | 71 | Confident | 102 Ų | 102 | 125.6 Ų | 125.6 | 55% | 0.545 | 64% | 0.64 | S | S | . | * | trans | -55.5 | 128.4 | 174.5 | -168.2 | -17 | 0 | 0 | 0 | 108.3 | G89 D90 L91 | D87-G89 PolarHBondContact O-N 3.28Å; D87-G89 VanDerWaalsContact O-N 3.16Å; D87-G89 PolarHBondContact OD1-N 3.27Å; D87-D90 PolarHBondContact O-N 3.3Å; D87-L91 PolarHBondContact O-N 3.28Å | ||
| 88 | I | 84.7 | Confident | 72.5 | Confident | 121 Ų | 121 | 119.8 Ų | 119.8 | 62% | 0.621 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -59.1 | -26.6 | 176.6 | -167.3 | 156.1 | 0 | 0 | 0 | 110.6 | T86 L91 L92 | T86-I88 PolarHBondContact O-N 3.44Å; I88-L91 PolarHBondContact O-N 2.84Å; I88-L92 HydrophobicContact CG1-CD1 4.18Å; I88-L92 HydrophobicContact CG1-CG 4.31Å; I88-L92 WeakPolarHBondContact O-CB 3.49Å; I88-L92 WeakPolarHBondContact O-CG 3.47Å; I88-L92 PolarHBondContact O-N 3.3Å |
| 89 | G | 84.4 | Confident | 73.7 | Confident | 35 Ų | 35 | 115 Ų | 115 | 36% | 0.361 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -59.5 | -45.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | D87 L92 K93 | D87-G89 PolarHBondContact O-N 3.28Å; D87-G89 VanDerWaalsContact O-N 3.16Å; D87-G89 PolarHBondContact OD1-N 3.27Å; G89-L92 PolarHBondContact O-N 3.37Å; G89-K93 VanDerWaalsContact O-CB 3.32Å; G89-K93 WeakPolarHBondContact O-CB 3.33Å; G89-K93 PolarHBondContact O-N 2.82Å |
| 90 | D | 87 | Confident | 74.7 | Confident | 99 Ų | 99 | 114.9 Ų | 114.9 | 53% | 0.529 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -67.3 | -39.7 | 178.6 | -68.6 | -27.4 | 0 | 0 | 0 | 111.4 | T86 D87 K93 F94 | T86-D90 HydrophobicContact CG2-CB 4.35Å; D87-D90 PolarHBondContact O-N 3.3Å; D90-K93 PolarHBondContact O-N 2.86Å; D90-F94 WeakPolarHBondContact O-CB 3.43Å; D90-F94 PolarHBondContact O-N 3.4Å |
| 91 | L | 86.9 | Confident | 75.6 | Confident | 78 Ų | 78 | 110.8 Ų | 110.8 | 41% | 0.408 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -63 | -44.3 | 175.8 | 179.4 | 63.7 | 0 | 0 | 0 | 111.6 | D87 I88 R95 | D87-L91 PolarHBondContact O-N 3.28Å; I88-L91 PolarHBondContact O-N 2.84Å; L91-R95 WeakPolarHBondContact O-CG 3.4Å; L91-R95 PolarHBondContact O-N 3.23Å; L91-R95 VanDerWaalsContact O-N 3.1Å |
| 92 | L | 88.2 | Confident | 76.3 | Confident | 104 Ų | 104 | 108.5 Ų | 108.5 | 55% | 0.545 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -67.1 | -41.9 | 178 | -72.3 | 171.9 | 0 | 0 | 0 | 111.1 | I88 G89 R95 L96 | I88-L92 HydrophobicContact CG1-CD1 4.18Å; I88-L92 HydrophobicContact CG1-CG 4.31Å; I88-L92 WeakPolarHBondContact O-CB 3.49Å; I88-L92 WeakPolarHBondContact O-CG 3.47Å; I88-L92 PolarHBondContact O-N 3.3Å; G89-L92 PolarHBondContact O-N 3.37Å; L92-R95 PolarHBondContact O-N 3.49Å; L92-L96 WeakPolarHBondContact O-CB 3.49Å; L92-L96 PolarHBondContact O-N 2.85Å |
| 93 | K | 88.6 | Confident | 76.6 | Confident | 123 Ų | 123 | 108.9 Ų | 108.9 | 54% | 0.535 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -59.1 | -48.7 | 176.3 | -175 | 173.9 | -176.5 | -72.2 | 0 | 111.6 | G89 D90 R95 L96 E97 | G89-K93 VanDerWaalsContact O-CB 3.32Å; G89-K93 WeakPolarHBondContact O-CB 3.33Å; G89-K93 PolarHBondContact O-N 2.82Å; D90-K93 PolarHBondContact O-N 2.86Å; K93-R95 VanDerWaalsContact C-N 3.33Å; K93-R95 PolarHBondContact O-N 3.4Å; K93-L96 PolarHBondContact O-N 2.89Å; K93-E97 WeakPolarHBondContact CE-OE1 3.48Å; K93-E97 IonicContact NZ-OE1 2.66Å; K93-E97 PolarHBondContact NZ-OE1 3.28Å; K93-E97 WeakPolarHBondContact O-CG 3.27Å; K93-E97 PolarHBondContact O-N 3.5Å |
| 94 | F | 87.6 | Confident | 76.9 | Confident | 143 Ų | 143 | 108.1 Ų | 108.1 | 63% | 0.627 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -59.2 | -42.7 | 176.4 | 176.6 | -95.8 | 0 | 0 | 0 | 112.3 | D90 A98 | D90-F94 WeakPolarHBondContact O-CB 3.43Å; D90-F94 PolarHBondContact O-N 3.4Å; F94-A98 WeakPolarHBondContact O-CB 3.27Å; F94-A98 PolarHBondContact O-N 3.44Å |
| 95 | R | 87.3 | Confident | 76.6 | Confident | 147 Ų | 147 | 109 Ų | 109 | 56% | 0.555 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -69.1 | -36.4 | 178.6 | -73.2 | 177.7 | -178 | -116.4 | 1.5 | 112.8 | L91 L92 K93 A98 A99 | L91-R95 WeakPolarHBondContact O-CG 3.4Å; L91-R95 PolarHBondContact O-N 3.23Å; L91-R95 VanDerWaalsContact O-N 3.1Å; L92-R95 PolarHBondContact O-N 3.49Å; K93-R95 VanDerWaalsContact C-N 3.33Å; K93-R95 PolarHBondContact O-N 3.4Å; R95-A98 PolarHBondContact O-N 2.94Å; R95-A99 PolarHBondContact O-N 2.84Å |
| 96 | L | 87.6 | Confident | 76.1 | Confident | 127 Ų | 127 | 105.4 Ų | 105.4 | 67% | 0.665 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -67.2 | -44.8 | 176.9 | -150.3 | 101.6 | 0 | 0 | 0 | 110.5 | L92 K93 A98 A99 E100 | L92-L96 WeakPolarHBondContact O-CB 3.49Å; L92-L96 PolarHBondContact O-N 2.85Å; K93-L96 PolarHBondContact O-N 2.89Å; L96-A98 VanDerWaalsContact C-N 3.31Å; L96-A98 PolarHBondContact O-N 2.74Å; L96-A99 PolarHBondContact O-N 3.42Å; L96-E100 PolarHBondContact O-N 3.37Å |
| 97 | E | 86.1 | Confident | 75.6 | Confident | 82 Ų | 82 | 107.1 Ų | 107.1 | 38% | 0.383 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -60.5 | -40.2 | 174.3 | -73.9 | 172.7 | -171.6 | 0 | 0 | 111.3 | K93 E100 N101 | K93-E97 WeakPolarHBondContact CE-OE1 3.48Å; K93-E97 IonicContact NZ-OE1 2.66Å; K93-E97 PolarHBondContact NZ-OE1 3.28Å; K93-E97 WeakPolarHBondContact O-CG 3.27Å; K93-E97 PolarHBondContact O-N 3.5Å; E97-E100 PolarHBondContact O-N 3.05Å; E97-N101 PolarHBondContact O-N 3.48Å; E97-N101 PolarHBondContact O-ND2 3.38Å |
| 98 | A | 82 | Confident | 74.6 | Confident | 44 Ų | 44 | 108.5 Ų | 108.5 | 36% | 0.364 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.8 | -42.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | F94 R95 L96 N101 D102 | F94-A98 WeakPolarHBondContact O-CB 3.27Å; F94-A98 PolarHBondContact O-N 3.44Å; R95-A98 PolarHBondContact O-N 2.94Å; L96-A98 VanDerWaalsContact C-N 3.31Å; L96-A98 PolarHBondContact O-N 2.74Å; A98-N101 PolarHBondContact O-N 2.91Å; A98-D102 PolarHBondContact O-N 3.22Å; A98-D102 VanDerWaalsContact O-N 3.13Å |
| 99 | A | 78.1 | Confident | 73.1 | Confident | 62 Ų | 62 | 107.8 Ų | 107.8 | 51% | 0.512 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -68.8 | -34.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | R95 L96 N101 D102 | R95-A99 PolarHBondContact O-N 2.84Å; L96-A99 PolarHBondContact O-N 3.42Å; A99-N101 VanDerWaalsContact C-N 3.33Å; A99-D102 PolarHBondContact O-N 3.45Å |
| 100 | E | 73.6 | Confident | 71.8 | Confident | 141 Ų | 141 | 111.6 Ų | 111.6 | 66% | 0.659 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -67.2 | -34.6 | 175.7 | -172.4 | 172.6 | -166.8 | 0 | 0 | 111.7 | L96 E97 | L96-E100 PolarHBondContact O-N 3.37Å; E97-E100 PolarHBondContact O-N 3.05Å |
| 101 | N | 69.5 | Low | 70.5 | Confident | 107 Ų | 107 | 113 Ų | 113 | 57% | 0.572 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -78.9 | -18.9 | 175.5 | -67.8 | -61.2 | 0 | 0 | 0 | 113.5 | E97 A98 A99 D103 | E97-N101 PolarHBondContact O-N 3.48Å; E97-N101 PolarHBondContact O-ND2 3.38Å; A98-N101 PolarHBondContact O-N 2.91Å; A99-N101 VanDerWaalsContact C-N 3.33Å; N101-D103 VanDerWaalsContact C-N 3.29Å |
| 102 | D | 64.2 | Low | 69.4 | Low | 125 Ų | 125 | 116.9 Ų | 116.9 | 67% | 0.668 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -74.7 | -21 | 173.9 | -87.5 | -20 | 0 | 0 | 0 | 112.2 | A98 A99 D104 N105 | A98-D102 PolarHBondContact O-N 3.22Å; A98-D102 VanDerWaalsContact O-N 3.13Å; A99-D102 PolarHBondContact O-N 3.45Å; D102-D104 PolarHBondContact O-N 3.29Å; D102-N105 VanDerWaalsContact O-CB 3.31Å; D102-N105 WeakPolarHBondContact O-CB 3.32Å; D102-N105 PolarHBondContact O-N 2.92Å |
| 103 | D | 57 | Low | 68.6 | Low | 109 Ų | 109 | 119.5 Ų | 119.5 | 58% | 0.583 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | -16.3 | 176.7 | -125.9 | 2.5 | 0 | 0 | 0 | 112.4 | N101 N105 E106 | N101-D103 VanDerWaalsContact C-N 3.29Å; D103-N105 CarbonylContact O-C 3.55Å; D103-N105 PolarHBondContact O-N 3.48Å; D103-N105 VanDerWaalsContact O-N 3.16Å; D103-E106 WeakPolarHBondContact O-CA 3.34Å; D103-E106 PolarHBondContact O-N 3.04Å |
| 104 | D | 54.4 | Low | 67.8 | Low | 142 Ų | 142 | 118.5 Ų | 118.5 | 76% | 0.759 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | -11.6 | 167.7 | -79.7 | -19.5 | 0 | 0 | 0 | 112.2 | D102 E106 | D102-D104 PolarHBondContact O-N 3.29Å; D104-E106 PolarHBondContact O-N 3.3Å |
| 105 | N | 54.6 | Low | 67.3 | Low | 95 Ų | 95 | 117.5 Ų | 117.5 | 51% | 0.508 | 63% | 0.631 | S | S | . | * | trans | -80.1 | 46.4 | 159.8 | -152.6 | 11.9 | 0 | 0 | 0 | 110.8 | D102 D103 N107 N108 | D102-N105 VanDerWaalsContact O-CB 3.31Å; D102-N105 WeakPolarHBondContact O-CB 3.32Å; D102-N105 PolarHBondContact O-N 2.92Å; D103-N105 CarbonylContact O-C 3.55Å; D103-N105 PolarHBondContact O-N 3.48Å; D103-N105 VanDerWaalsContact O-N 3.16Å; N105-N107 PolarHBondContact O-N 2.88Å; N105-N108 PolarHBondContact O-N 3.01Å | ||
| 106 | E | 52.6 | Low | 66.7 | Low | 145 Ų | 145 | 116.5 Ų | 116.5 | 68% | 0.678 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.5 | -6.6 | 176.3 | -153.1 | -173 | -169.3 | 0 | 0 | 112 | D103 D104 K110 | D103-E106 WeakPolarHBondContact O-CA 3.34Å; D103-E106 PolarHBondContact O-N 3.04Å; D104-E106 PolarHBondContact O-N 3.3Å; E106-K110 WeakPolarHBondContact O-CE 3.35Å; E106-K110 WeakPolarHBondContact O-CG 3.36Å |
| 107 | N | 55.8 | Low | 66.3 | Low | 119 Ų | 119 | 119.2 Ų | 119.2 | 64% | 0.636 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -17.8 | 170.8 | -83.9 | -14.3 | 0 | 0 | 0 | 114.8 | N105 K110 | N105-N107 PolarHBondContact O-N 2.88Å; N107-K110 WeakPolarHBondContact OD1-CE 3.33Å; N107-K110 PolarHBondContact OD1-NZ 3.35Å |
| 108 | N | 55.7 | Low | 66 | Low | 130 Ų | 130 | 124.5 Ų | 124.5 | 70% | 0.695 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | -16.8 | -177.1 | -154.8 | 19.1 | 0 | 0 | 0 | 113.4 | N105 | N105-N108 PolarHBondContact O-N 3.01Š|
| 109 | C | 53 | Low | 65.6 | Low | 106 Ų | 106 | 126.6 Ų | 126.6 | 72% | 0.716 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -98.5 | 8.5 | 171.1 | -71.5 | 0 | 0 | 0 | 0 | 113.2 | N111 | C109-N111 PolarHBondContact O-N 2.95Š|
| 110 | K | 58.3 | Low | 65.6 | Low | 115 Ų | 115 | 133.1 Ų | 133.1 | 50% | 0.5 | 69% | 0.693 | S | S | . | * | S | Bend | trans | -66.4 | 104.4 | 166.5 | -81.6 | 171.3 | -174.7 | 173.6 | 0 | 107.5 | E106 N107 N112 | E106-K110 WeakPolarHBondContact O-CE 3.35Å; E106-K110 WeakPolarHBondContact O-CG 3.36Å; N107-K110 WeakPolarHBondContact OD1-CE 3.33Å; N107-K110 PolarHBondContact OD1-NZ 3.35Å; K110-N112 VanDerWaalsContact C-N 3.32Å; K110-N112 PolarHBondContact O-N 3.47Å |
| 111 | N | 59.1 | Low | 65.9 | Low | 129 Ų | 129 | 135.2 Ų | 135.2 | 69% | 0.69 | 70% | 0.703 | S | S | * | * | trans | -7.7 | 89.7 | 149.8 | 55.4 | -16.8 | 0 | 0 | 0 | 111.9 | C109 E113 | C109-N111 PolarHBondContact O-N 2.95Å; N111-E113 PolarHBondContact O-N 3.49Å | ||
| 112 | N | 64.9 | Low | 66.3 | Low | 159 Ų | 159 | 131.9 Ų | 131.9 | 85% | 0.85 | 69% | 0.694 | S | S | * | * | trans | -72.3 | 18.8 | 174.3 | 55.7 | -25.4 | 0 | 0 | 0 | 111.6 | K110 S114 | K110-N112 VanDerWaalsContact C-N 3.32Å; K110-N112 PolarHBondContact O-N 3.47Å; N112-S114 PolarHBondContact O-N 3.35Å; N112-S114 VanDerWaalsContact O-N 3.17Å | ||
| 113 | E | 70.4 | Confident | 66.8 | Low | 159 Ų | 159 | 129 Ų | 129 | 74% | 0.743 | 68% | 0.684 | S | S | * | * | trans | -79.6 | 93.4 | 171.9 | -166.7 | 170.7 | -164.8 | 0 | 0 | 107.5 | N111 | N111-E113 PolarHBondContact O-N 3.49Š| ||
| 114 | S | 71.3 | Confident | 67.4 | Low | 103 Ų | 103 | 131.4 Ų | 131.4 | 72% | 0.72 | 70% | 0.697 | S | S | * | * | trans | -57.6 | 131.5 | 163.3 | -80.1 | 0 | 0 | 0 | 0 | 108.5 | N112 L116 | N112-S114 PolarHBondContact O-N 3.35Å; N112-S114 VanDerWaalsContact O-N 3.17Å; S114-L116 PolarHBondContact O-N 3.42Å | ||
| 115 | P | 78.2 | Confident | 67.8 | Low | 122 Ų | 122 | 131.6 Ų | 131.6 | 79% | 0.792 | 69% | 0.693 | S | S | * | * | trans | -53.4 | 133.3 | 172.6 | -22.6 | 31.7 | 0 | 0 | 0 | 109.9 | E117 | P115-E117 PolarHBondContact O-N 2.98Å; P115-E117 VanDerWaalsContact O-N 3.09Å | ||
| 116 | L | 74.2 | Confident | 67.9 | Low | 126 Ų | 126 | 135.4 Ų | 135.4 | 66% | 0.66 | 71% | 0.707 | S | S | * | * | trans | -61 | 113.6 | 170.9 | -80.5 | 144.2 | 0 | 0 | 0 | 108.8 | S114 Y118 | S114-L116 PolarHBondContact O-N 3.42Å; L116-Y118 HydrophobicContact CB-CD2 4.08Å; L116-Y118 HydrophobicContact CB-CE2 3.47Å; L116-Y118 VanDerWaalsContact CB-CE2 3.47Å; L116-Y118 HydrophobicContact CD1-CE2 4.47Å; L116-Y118 HydrophobicContact CG-CE2 4.48Å; L116-Y118 WeakPolarHBondContact O-CD2 3.42Å; L116-Y118 PolarHBondContact O-N 3.36Å | ||
| 117 | E | 79.8 | Confident | 67.9 | Low | 183 Ų | 183 | 134 Ų | 134 | 86% | 0.855 | 71% | 0.711 | S | S | * | * | trans | -77.4 | 99.1 | 174.2 | -170.5 | 172.1 | -165 | 0 | 0 | 108.7 | P115 | P115-E117 PolarHBondContact O-N 2.98Å; P115-E117 VanDerWaalsContact O-N 3.09Å | ||
| 118 | Y | 78.8 | Confident | 67.8 | Low | 193 Ų | 193 | 136.7 Ų | 136.7 | 76% | 0.757 | 72% | 0.717 | S | S | * | * | trans | -90.8 | 108 | 171.6 | -63.2 | -77 | 0 | 0 | 0 | 109.3 | L116 | L116-Y118 HydrophobicContact CB-CD2 4.08Å; L116-Y118 HydrophobicContact CB-CE2 3.47Å; L116-Y118 VanDerWaalsContact CB-CE2 3.47Å; L116-Y118 HydrophobicContact CD1-CE2 4.47Å; L116-Y118 HydrophobicContact CG-CE2 4.48Å; L116-Y118 WeakPolarHBondContact O-CD2 3.42Å; L116-Y118 PolarHBondContact O-N 3.36Å | ||
| 119 | A | 74.3 | Confident | 67.8 | Low | 89 Ų | 89 | 139 Ų | 139 | 74% | 0.736 | 72% | 0.724 | S | S | * | * | trans | -121.3 | 54 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | E121 | A119-E121 PolarHBondContact O-N 2.87Š| ||
| 120 | Y | 77.5 | Confident | 67.7 | Low | 199 Ų | 199 | 142 Ų | 142 | 78% | 0.78 | 73% | 0.727 | S | S | * | * | trans | -82.9 | 99.5 | 171.7 | -171.8 | -103.9 | 0 | 0 | 0 | 109.3 | G122 | Y120-G122 PolarHBondContact O-N 3.37Š| ||
| 121 | E | 81 | Confident | 67.5 | Low | 184 Ų | 184 | 142.1 Ų | 142.1 | 86% | 0.86 | 74% | 0.737 | S | S | * | * | trans | -78.5 | 1.5 | -179.7 | -165.4 | 161.2 | -164.2 | 0 | 0 | 113 | A119 | A119-E121 PolarHBondContact O-N 2.87Š| ||
| 122 | G | 77.4 | Confident | 67.3 | Low | 37 Ų | 37 | 141.9 Ų | 141.9 | 38% | 0.381 | 74% | 0.736 | S | S | . | * | trans | 74.9 | 160.8 | -163.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y120 | Y120-G122 PolarHBondContact O-N 3.37Š| ||
| 123 | S | 73.6 | Confident | 67 | Low | 65 Ų | 65 | 141.7 Ų | 141.7 | 46% | 0.455 | 73% | 0.734 | S | S | . | * | trans | -95.4 | 132.4 | 169.3 | 62.2 | 0 | 0 | 0 | 0 | 108.5 | E125 | S123-E125 WeakPolarHBondContact CB-OE1 3.23Å; S123-E125 PolarHBondContact O-N 3.45Å; S123-E125 PolarHBondContact OG-OE1 3.27Å | ||
| 124 | D | 70.7 | Confident | 65.9 | Low | 160 Ų | 160 | 140.3 Ų | 140.3 | 86% | 0.856 | 74% | 0.741 | S | S | * | * | trans | -72.9 | 37.1 | 177.4 | -53.9 | -28.7 | 0 | 0 | 0 | 112 | E126 | D124-E126 VanDerWaalsContact C-N 3.26Å; D124-E126 PolarHBondContact O-N 3.06Å | ||
| 125 | E | 63.4 | Low | 65.1 | Low | 146 Ų | 146 | 140.5 Ų | 140.5 | 68% | 0.682 | 74% | 0.742 | S | S | * | * | trans | -80.6 | 73.2 | -177.3 | -61.5 | -177.7 | -105.1 | 0 | 0 | 109.8 | S123 | S123-E125 WeakPolarHBondContact CB-OE1 3.23Å; S123-E125 PolarHBondContact O-N 3.45Å; S123-E125 PolarHBondContact OG-OE1 3.27Å | ||
| 126 | E | 56.8 | Low | 63.7 | Low | 174 Ų | 174 | 143.6 Ų | 143.6 | 81% | 0.813 | 75% | 0.746 | S | S | * | * | trans | -66.1 | 128.6 | 150.3 | -99.2 | -164.4 | 156.2 | 0 | 0 | 108 | D124 | D124-E126 VanDerWaalsContact C-N 3.26Å; D124-E126 PolarHBondContact O-N 3.06Å | ||
| 127 | P | 52.6 | Low | 62.5 | Low | 117 Ų | 117 | 142.9 Ų | 142.9 | 76% | 0.76 | 75% | 0.747 | S | S | * | * | -140 | 89.7 | 73.7 | 35.2 | -17.1 | 0 | 0 | 0 | 110.5 | Q129 | P127-Q129 PolarHBondContact O-N 3.04Š| |||
| 128 | F | 53.7 | Low | 60.9 | Low | 174 Ų | 174 | 141.3 Ų | 141.3 | 76% | 0.763 | 74% | 0.744 | S | S | * | * | trans | -73.3 | 88 | 158.3 | -75.8 | -75.9 | 0 | 0 | 0 | 107.6 | H130 | F128-H130 PolarHBondContact O-N 3.26Š| ||
| 129 | Q | 55.3 | Low | 59 | Low | 180 Ų | 180 | 136.8 Ų | 136.8 | 84% | 0.841 | 74% | 0.741 | S | S | * | * | trans | -34.9 | 105.7 | 155.8 | -117.2 | 170.1 | 23.7 | 0 | 0 | 108.7 | P127 V131 | P127-Q129 PolarHBondContact O-N 3.04Å; Q129-V131 PolarHBondContact O-N 2.98Å | ||
| 130 | H | 49.8 | Very low | 57.5 | Low | 168 Ų | 168 | 139 Ų | 139 | 78% | 0.778 | 74% | 0.741 | S | S | * | * | trans | 16.3 | 72.8 | 159.4 | -113.1 | -89.2 | 0 | 0 | 0 | 113.8 | F128 D132 | F128-H130 PolarHBondContact O-N 3.26Å; H130-D132 VanDerWaalsContact C-N 3.32Å; H130-D132 IonicContact ND1-OD1 3.48Å; H130-D132 PolarHBondContact ND1-OD1 2.88Å; H130-D132 PolarHBondContact O-N 2.87Å | ||
| 131 | V | 54.6 | Low | 56.1 | Low | 117 Ų | 117 | 138.4 Ų | 138.4 | 71% | 0.709 | 74% | 0.742 | S | S | * | * | trans | -80 | 99 | 160.1 | -178.8 | 0 | 0 | 0 | 0 | 103.7 | Q129 L133 | Q129-V131 PolarHBondContact O-N 2.98Å; V131-L133 VanDerWaalsContact C-N 3.34Å; V131-L133 PolarHBondContact O-N 3.48Å | ||
| 132 | D | 55.5 | Low | 54.7 | Low | 125 Ų | 125 | 136.5 Ų | 136.5 | 67% | 0.668 | 74% | 0.737 | S | S | * | * | trans | -45.1 | 96.1 | -175.3 | -73.7 | -38.5 | 0 | 0 | 0 | 110.8 | H130 C134 | H130-D132 VanDerWaalsContact C-N 3.32Å; H130-D132 IonicContact ND1-OD1 3.48Å; H130-D132 PolarHBondContact ND1-OD1 2.88Å; H130-D132 PolarHBondContact O-N 2.87Å; D132-C134 VanDerWaalsContact C-N 3.3Å; D132-C134 PolarHBondContact O-N 3.36Å | ||
| 133 | L | 59 | Low | 53 | Low | 155 Ų | 155 | 144.1 Ų | 144.1 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | trans | -61.2 | 100.4 | 164.5 | -81.3 | 143.6 | 0 | 0 | 0 | 105.1 | V131 S135 | V131-L133 VanDerWaalsContact C-N 3.34Å; V131-L133 PolarHBondContact O-N 3.48Å; L133-S135 VanDerWaalsContact C-N 3.29Å; L133-S135 PolarHBondContact O-N 3.33Å; L133-S135 PolarHBondContact O-OG 3.43Å; L133-S135 VanDerWaalsContact O-OG 3.04Å | ||
| 134 | C | 47.4 | Very low | 51.7 | Low | 130 Ų | 130 | 146.7 Ų | 146.7 | 88% | 0.878 | 78% | 0.776 | S | S | * | * | trans | -42.4 | 93.4 | -178.7 | -72.6 | 0 | 0 | 0 | 0 | 110.4 | D132 E136 | D132-C134 VanDerWaalsContact C-N 3.3Å; D132-C134 PolarHBondContact O-N 3.36Å; C134-E136 PolarHBondContact O-N 3.45Å | ||
| 135 | S | 54.1 | Low | 50.6 | Low | 107 Ų | 107 | 147 Ų | 147 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | trans | -83 | 101.3 | 176.5 | -63.9 | 0 | 0 | 0 | 0 | 105.8 | L133 T137 | L133-S135 VanDerWaalsContact C-N 3.29Å; L133-S135 PolarHBondContact O-N 3.33Å; L133-S135 PolarHBondContact O-OG 3.43Å; L133-S135 VanDerWaalsContact O-OG 3.04Å; S135-T137 PolarHBondContact O-N 3.43Å; S135-T137 VanDerWaalsContact O-N 3.13Å | ||
| 136 | E | 49.2 | Very low | 49.8 | Very low | 187 Ų | 187 | 148.8 Ų | 148.8 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | trans | -55.1 | 112 | 163.9 | -171.9 | 178.5 | 150.2 | 0 | 0 | 107.8 | C134 | C134-E136 PolarHBondContact O-N 3.45Š| ||
| 137 | T | 47.2 | Very low | 49.9 | Very low | 111 Ų | 111 | 144.9 Ų | 144.9 | 68% | 0.681 | 78% | 0.778 | S | S | * | * | trans | -170.6 | 111.4 | 153.6 | 16.7 | 0 | 0 | 0 | 0 | 112.9 | S135 | S135-T137 PolarHBondContact O-N 3.43Å; S135-T137 VanDerWaalsContact O-N 3.13Å | ||
| 138 | N | 46.2 | Very low | 50.1 | Low | 150 Ų | 150 | 144.6 Ų | 144.6 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | trans | 72.4 | 124.2 | 138.6 | -65.1 | -31 | 0 | 0 | 0 | 121.5 | ||||
| 139 | S | 40.6 | Very low | 50.3 | Low | 97 Ų | 97 | 142.3 Ų | 142.3 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | 90.7 | 111.3 | 128.3 | -177.1 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 140 | N | 42.6 | Very low | 50.7 | Low | 137 Ų | 137 | 141.1 Ų | 141.1 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | trans | 71.4 | 97.5 | 149.8 | -65.9 | -22.8 | 0 | 0 | 0 | 117.9 | ||||
| 141 | K | 46.7 | Very low | 51.2 | Low | 186 Ų | 186 | 139.3 Ų | 139.3 | 81% | 0.809 | 77% | 0.771 | S | S | * | * | 171.6 | 149.7 | 103.1 | -90.2 | 156.3 | -179.2 | 171.4 | 0 | 111.5 | |||||
| 142 | N | 51.5 | Low | 51.7 | Low | 143 Ų | 143 | 138.1 Ų | 138.1 | 77% | 0.765 | 77% | 0.766 | S | S | * | * | trans | 50.6 | 93.7 | 153.4 | 58.9 | -7.6 | 0 | 0 | 0 | 120.5 | T144 | N142-T144 PolarHBondContact O-N 2.99Å; N142-T144 VanDerWaalsContact O-N 3.09Å | ||
| 143 | E | 42.5 | Very low | 51.6 | Low | 198 Ų | 198 | 138.8 Ų | 138.8 | 93% | 0.925 | 78% | 0.777 | S | S | * | * | trans | -44.1 | 101.5 | 147.3 | -56.3 | 171.9 | 122.9 | 0 | 0 | 111.7 | ||||
| 144 | T | 47 | Very low | 51.5 | Low | 119 Ų | 119 | 134.8 Ų | 134.8 | 73% | 0.73 | 77% | 0.774 | S | S | * | * | trans | -166.2 | 132.6 | 145.1 | -24.1 | 0 | 0 | 0 | 0 | 110.3 | N142 | N142-T144 PolarHBondContact O-N 2.99Å; N142-T144 VanDerWaalsContact O-N 3.09Å | ||
| 145 | Q | 47.5 | Very low | 51.8 | Low | 167 Ų | 167 | 137.7 Ų | 137.7 | 78% | 0.78 | 77% | 0.772 | S | S | * | * | trans | 91.1 | 69.6 | 160 | -48 | -164.8 | 82.6 | 0 | 0 | 118 | ||||
| 146 | L | 46.1 | Very low | 52 | Low | 182 Ų | 182 | 145.7 Ų | 145.7 | 95% | 0.953 | 80% | 0.797 | S | S | * | * | trans | -84.4 | 100.5 | 143.8 | -72.9 | 169.4 | 0 | 0 | 0 | 107.7 | ||||
| 147 | S | 58.3 | Low | 52.2 | Low | 92 Ų | 92 | 143.7 Ų | 143.7 | 64% | 0.643 | 79% | 0.794 | S | S | * | * | trans | -76.7 | 139.3 | 168.6 | -54.6 | 0 | 0 | 0 | 0 | 109.5 | V149 | S147-V149 PolarHBondContact O-N 3.35Š| ||
| 148 | P | 56.7 | Low | 52.4 | Low | 111 Ų | 111 | 145.4 Ų | 145.4 | 72% | 0.721 | 80% | 0.799 | S | S | * | * | trans | -68 | 135.1 | -177.7 | 27.2 | -31.1 | 0 | 0 | 0 | 110.4 | N150 | P148-N150 PolarHBondContact O-N 2.95Å; P148-N150 VanDerWaalsContact O-N 3.15Å | ||
| 149 | V | 58.8 | Low | 52.8 | Low | 127 Ų | 127 | 145.1 Ų | 145.1 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | trans | -59.5 | 113 | 171.4 | 171 | 0 | 0 | 0 | 0 | 108.5 | S147 N151 | S147-V149 PolarHBondContact O-N 3.35Å; V149-N151 PolarHBondContact O-N 3.41Å | ||
| 150 | N | 63.6 | Low | 53.5 | Low | 154 Ų | 154 | 147.9 Ų | 147.9 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | trans | -77.7 | 106.1 | 169.5 | -82.9 | -31.4 | 0 | 0 | 0 | 108.6 | P148 | P148-N150 PolarHBondContact O-N 2.95Å; P148-N150 VanDerWaalsContact O-N 3.15Å | ||
| 151 | N | 60.7 | Low | 54.2 | Low | 130 Ų | 130 | 148.6 Ų | 148.6 | 70% | 0.695 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 142.9 | 167.7 | -75.2 | -25.4 | 0 | 0 | 0 | 110.2 | V149 | V149-N151 PolarHBondContact O-N 3.41Š|
| 152 | P | 64 | Low | 54.7 | Low | 92 Ų | 92 | 146.1 Ų | 146.1 | 60% | 0.597 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 151.3 | 174.4 | 27.6 | -33.1 | 0 | 0 | 0 | 111.3 | G154 | P152-G154 PolarHBondContact O-N 3.45Š|
| 153 | P | 54.7 | Low | 54.9 | Low | 140 Ų | 140 | 146.4 Ų | 146.4 | 91% | 0.909 | 81% | 0.814 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | 124 | -177.7 | 27.4 | -31.7 | 0 | 0 | 0 | 109.9 | ||
| 154 | G | 55.2 | Low | 55.9 | Low | 71 Ų | 71 | 142.4 Ų | 142.4 | 73% | 0.732 | 81% | 0.806 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 139.6 | 1.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | P152 | P152-G154 PolarHBondContact O-N 3.45Š|
| 155 | F | 53.9 | Low | 56.6 | Low | 190 Ų | 190 | 144.3 Ų | 144.3 | 83% | 0.833 | 81% | 0.812 | S | S | * | * | trans | -130.1 | 86.2 | 173.8 | -72.5 | -90.4 | 0 | 0 | 0 | 109.6 | ||||
| 156 | E | 60.1 | Low | 57.5 | Low | 276 Ų | 276 | 142.3 Ų | 142.3 | 100% | 1.29 | 82% | 0.815 | S | S | * | * | trans | -100.3 | 0 | 154.8 | -79 | -168.9 | 159.6 | 0 | 0 | 109.1 |
Retrieved 156 of 156 residues in 143.3 ms
(Link to these results)