| 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 | 62.1 | Low | 84.3 | Confident | 199 Ų | 199 | 122.5 Ų | 122.5 | 98% | 0.98 | 61% | 0.606 | S | S | * | * | 0 | -39.2 | 0 | -64.4 | -49.2 | -177 | 0 | 0 | 114.4 | R3 L4 | M1-R3 PolarHBondContact O-N 3.23Å; M1-L4 PolarHBondContact O-N 3.15Å | |||
| 2 | A | 77.1 | Confident | 84.8 | Confident | 62 Ų | 62 | 119.6 Ų | 119.6 | 51% | 0.512 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -56.3 | -39.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | L4 H5 Y6 | A2-L4 VanDerWaalsContact C-N 3.33Å; A2-L4 PolarHBondContact O-N 2.95Å; A2-H5 WeakPolarHBondContact O-CB 3.19Å; A2-H5 PolarHBondContact O-N 3.27Å; A2-Y6 HydrophobicContact CB-CD2 4.49Å; A2-Y6 HydrophobicContact CB-CE2 4.18Å; A2-Y6 WeakPolarHBondContact O-CD2 3.44Å; A2-Y6 PolarHBondContact O-N 3.29Å; A2-Y6 VanDerWaalsContact O-N 3.13Å |
| 3 | R | 77.1 | Confident | 85.2 | Confident | 225 Ų | 225 | 119.9 Ų | 119.9 | 85% | 0.849 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -61.5 | -37.4 | -177.3 | -66.9 | -176.7 | 180 | 175.4 | -0.4 | 113.6 | M1 Y6 A7 | M1-R3 PolarHBondContact O-N 3.23Å; R3-Y6 PolarHBondContact O-N 3.23Å; R3-A7 PolarHBondContact O-N 3.04Å; R3-A7 VanDerWaalsContact O-N 3.1Å |
| 4 | L | 86.7 | Confident | 85.5 | Confident | 129 Ų | 129 | 117.8 Ų | 117.8 | 68% | 0.675 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -68.4 | -39.5 | 178 | -175.2 | 67.4 | 0 | 0 | 0 | 111.1 | M1 A2 A7 F8 | M1-L4 PolarHBondContact O-N 3.15Å; A2-L4 VanDerWaalsContact C-N 3.33Å; A2-L4 PolarHBondContact O-N 2.95Å; L4-A7 PolarHBondContact O-N 3.13Å; L4-F8 WeakPolarHBondContact O-CB 3.35Å; L4-F8 PolarHBondContact O-N 3.14Å |
| 5 | H | 87.6 | Confident | 85.4 | Confident | 124 Ų | 124 | 115.9 Ų | 115.9 | 57% | 0.574 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -60.5 | -46 | 175.3 | -85.7 | -84.3 | 0 | 0 | 0 | 111.9 | A2 F8 I9 | A2-H5 WeakPolarHBondContact O-CB 3.19Å; A2-H5 PolarHBondContact O-N 3.27Å; H5-F8 PolarHBondContact O-N 3.04Å; H5-I9 WeakPolarHBondContact O-CB 3.37Å; H5-I9 WeakPolarHBondContact O-CD1 3.06Å; H5-I9 WeakPolarHBondContact O-CG1 3.34Å; H5-I9 PolarHBondContact O-N 2.73Å |
| 6 | Y | 87.7 | Confident | 85.2 | Confident | 171 Ų | 171 | 112.9 Ų | 112.9 | 67% | 0.671 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -63.9 | -42.4 | 177.7 | -71.8 | -68.3 | 0 | 0 | 0 | 112.6 | A2 R3 I9 A10 | A2-Y6 HydrophobicContact CB-CD2 4.49Å; A2-Y6 HydrophobicContact CB-CE2 4.18Å; A2-Y6 WeakPolarHBondContact O-CD2 3.44Å; A2-Y6 PolarHBondContact O-N 3.29Å; A2-Y6 VanDerWaalsContact O-N 3.13Å; R3-Y6 PolarHBondContact O-N 3.23Å; Y6-I9 PolarHBondContact O-N 3.16Å; Y6-A10 WeakPolarHBondContact O-CB 3.36Å; Y6-A10 PolarHBondContact O-N 3.24Å |
| 7 | A | 89.1 | Confident | 84.9 | Confident | 59 Ų | 59 | 113.6 Ų | 113.6 | 49% | 0.488 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.6 | -41.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | R3 L4 A10 F11 | R3-A7 PolarHBondContact O-N 3.04Å; R3-A7 VanDerWaalsContact O-N 3.1Å; L4-A7 PolarHBondContact O-N 3.13Å; A7-A10 PolarHBondContact O-N 3.38Å; A7-F11 WeakPolarHBondContact O-CB 2.93Å; A7-F11 PolarHBondContact O-N 2.84Å |
| 8 | F | 90.4 | Very high | 84.5 | Confident | 125 Ų | 125 | 112.1 Ų | 112.1 | 55% | 0.548 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64.9 | -45.1 | 177.5 | -175.5 | -106.8 | 0 | 0 | 0 | 111.9 | L4 H5 A10 F11 L12 | L4-F8 WeakPolarHBondContact O-CB 3.35Å; L4-F8 PolarHBondContact O-N 3.14Å; H5-F8 PolarHBondContact O-N 3.04Å; F8-A10 VanDerWaalsContact C-N 3.35Å; F8-A10 PolarHBondContact O-N 3.24Å; F8-F11 PolarHBondContact O-N 3.08Å; F8-L12 HydrophobicContact CD1-CD1 3.9Å; F8-L12 HydrophobicContact CD1-CG 4.46Å; F8-L12 HydrophobicContact CE1-CD1 3.45Å; F8-L12 VanDerWaalsContact CE1-CD1 3.45Å; F8-L12 HydrophobicContact CE1-CG 4.16Å; F8-L12 HydrophobicContact CZ-CD1 3.92Å; F8-L12 HydrophobicContact CZ-CD2 4.37Å; F8-L12 HydrophobicContact CZ-CG 4.26Å; F8-L12 WeakPolarHBondContact O-CG 3.24Å; F8-L12 PolarHBondContact O-N 2.97Å |
| 9 | I | 89.8 | Confident | 83.9 | Confident | 86 Ų | 86 | 112.1 Ų | 112.1 | 44% | 0.441 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -62 | -43.9 | 175.6 | -66.8 | 163.8 | 0 | 0 | 0 | 110.6 | H5 Y6 F11 L12 L13 | H5-I9 WeakPolarHBondContact O-CB 3.37Å; H5-I9 WeakPolarHBondContact O-CD1 3.06Å; H5-I9 WeakPolarHBondContact O-CG1 3.34Å; H5-I9 PolarHBondContact O-N 2.73Å; Y6-I9 PolarHBondContact O-N 3.16Å; I9-F11 VanDerWaalsContact C-N 3.32Å; I9-F11 PolarHBondContact O-N 3.33Å; I9-L12 PolarHBondContact O-N 3.14Å; I9-L13 HydrophobicContact CG2-CD1 4Å; I9-L13 HydrophobicContact CG2-CG 4.44Å; I9-L13 WeakPolarHBondContact O-CG 3.48Å; I9-L13 PolarHBondContact O-N 3.16Å |
| 10 | A | 90.8 | Very high | 83.3 | Confident | 49 Ų | 49 | 111.1 Ų | 111.1 | 41% | 0.405 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -59.8 | -42.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y6 A7 F8 L13 V14 | Y6-A10 WeakPolarHBondContact O-CB 3.36Å; Y6-A10 PolarHBondContact O-N 3.24Å; A7-A10 PolarHBondContact O-N 3.38Å; F8-A10 VanDerWaalsContact C-N 3.35Å; F8-A10 PolarHBondContact O-N 3.24Å; A10-L13 PolarHBondContact O-N 3.09Å; A10-V14 VanDerWaalsContact O-CG2 3.28Å; A10-V14 WeakPolarHBondContact O-CG2 3.42Å; A10-V14 PolarHBondContact O-N 2.84Å |
| 11 | F | 89.3 | Confident | 82.4 | Confident | 119 Ų | 119 | 112.5 Ų | 112.5 | 52% | 0.522 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -63.2 | -43.6 | 176.9 | -170.9 | -99.8 | 0 | 0 | 0 | 112.3 | A7 F8 I9 L13 V14 Q15 | A7-F11 WeakPolarHBondContact O-CB 2.93Å; A7-F11 PolarHBondContact O-N 2.84Å; F8-F11 PolarHBondContact O-N 3.08Å; I9-F11 VanDerWaalsContact C-N 3.32Å; I9-F11 PolarHBondContact O-N 3.33Å; F11-L13 VanDerWaalsContact C-N 3.28Å; F11-L13 PolarHBondContact O-N 3.25Å; F11-V14 PolarHBondContact O-N 2.8Å; F11-Q15 HydrophobicContact CD1-CG 4.35Å; F11-Q15 VanDerWaalsContact CE1-CD 3.46Å; F11-Q15 HydrophobicContact CE1-CG 4.04Å; F11-Q15 HydrophobicContact CZ-CG 4.23Å; F11-Q15 VanDerWaalsContact CZ-NE2 3.28Å; F11-Q15 PolarHBondContact O-N 3.04Å; F11-Q15 VanDerWaalsContact O-N 3.13Å |
| 12 | L | 90.4 | Very high | 82.4 | Confident | 87 Ų | 87 | 106.4 Ų | 106.4 | 46% | 0.455 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.4 | -31 | 175.5 | -70.5 | 179.5 | 0 | 0 | 0 | 113.1 | F8 I9 P16 | F8-L12 HydrophobicContact CD1-CD1 3.9Å; F8-L12 HydrophobicContact CD1-CG 4.46Å; F8-L12 HydrophobicContact CE1-CD1 3.45Å; F8-L12 VanDerWaalsContact CE1-CD1 3.45Å; F8-L12 HydrophobicContact CE1-CG 4.16Å; F8-L12 HydrophobicContact CZ-CD1 3.92Å; F8-L12 HydrophobicContact CZ-CD2 4.37Å; F8-L12 HydrophobicContact CZ-CG 4.26Å; F8-L12 WeakPolarHBondContact O-CG 3.24Å; F8-L12 PolarHBondContact O-N 2.97Å; I9-L12 PolarHBondContact O-N 3.14Å; L12-P16 WeakPolarHBondContact O-CD 3.23Å; L12-P16 WeakPolarHBondContact O-CG 3.45Å |
| 13 | L | 89.9 | Confident | 81.6 | Confident | 124 Ų | 124 | 110.4 Ų | 110.4 | 65% | 0.649 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -79.2 | -35.8 | 177.3 | -70.6 | 173 | 0 | 0 | 0 | 112.7 | I9 A10 F11 | I9-L13 HydrophobicContact CG2-CD1 4Å; I9-L13 HydrophobicContact CG2-CG 4.44Å; I9-L13 WeakPolarHBondContact O-CG 3.48Å; I9-L13 PolarHBondContact O-N 3.16Å; A10-L13 PolarHBondContact O-N 3.09Å; F11-L13 VanDerWaalsContact C-N 3.28Å; F11-L13 PolarHBondContact O-N 3.25Å |
| 14 | V | 89.1 | Confident | 80.7 | Confident | 90 Ų | 90 | 104.4 Ų | 104.4 | 55% | 0.545 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -74.7 | -34 | -178.4 | 172 | 0 | 0 | 0 | 0 | 111.8 | A10 F11 L17 C18 | A10-V14 VanDerWaalsContact O-CG2 3.28Å; A10-V14 WeakPolarHBondContact O-CG2 3.42Å; A10-V14 PolarHBondContact O-N 2.84Å; F11-V14 PolarHBondContact O-N 2.8Å; V14-L17 PolarHBondContact O-N 2.61Å; V14-C18 WeakPolarHBondContact O-CB 3.41Å; V14-C18 PolarHBondContact O-N 3.34Å |
| 15 | Q | 84 | Confident | 79.4 | Confident | 89 Ų | 89 | 105.8 Ų | 105.8 | 42% | 0.416 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -59.1 | -53 | -177.6 | -84.7 | -168.4 | -23 | 0 | 0 | 113.9 | F11 L17 C18 I19 | F11-Q15 HydrophobicContact CD1-CG 4.35Å; F11-Q15 VanDerWaalsContact CE1-CD 3.46Å; F11-Q15 HydrophobicContact CE1-CG 4.04Å; F11-Q15 HydrophobicContact CZ-CG 4.23Å; F11-Q15 VanDerWaalsContact CZ-NE2 3.28Å; F11-Q15 PolarHBondContact O-N 3.04Å; F11-Q15 VanDerWaalsContact O-N 3.13Å; Q15-L17 VanDerWaalsContact C-N 3.27Å; Q15-L17 PolarHBondContact O-N 3.13Å; Q15-C18 PolarHBondContact O-N 3.09Å; Q15-I19 WeakPolarHBondContact O-CG1 3.49Å; Q15-I19 PolarHBondContact O-N 3.15Å |
| 16 | P | 82.4 | Confident | 77.8 | Confident | 69 Ų | 69 | 111.1 Ų | 111.1 | 45% | 0.448 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -61.1 | -38.3 | 176.7 | -21.9 | 32 | 0 | 0 | 0 | 111.7 | L12 C18 I19 C20 | L12-P16 WeakPolarHBondContact O-CD 3.23Å; L12-P16 WeakPolarHBondContact O-CG 3.45Å; P16-C18 VanDerWaalsContact C-N 3.32Å; P16-C18 PolarHBondContact O-N 3.4Å; P16-I19 PolarHBondContact O-N 3.49Å; P16-C20 VanDerWaalsContact O-CB 3.23Å; P16-C20 WeakPolarHBondContact O-CB 3.35Å; P16-C20 PolarHBondContact O-N 3.43Å; P16-C20 PolarHBondContact O-SG 3.04Å |
| 17 | L | 80 | Confident | 76.2 | Confident | 124 Ų | 124 | 112.3 Ų | 112.3 | 65% | 0.649 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -62.5 | -41.4 | 177.6 | -171.1 | 67.1 | 0 | 0 | 0 | 111.4 | V14 Q15 N21 | V14-L17 PolarHBondContact O-N 2.61Å; Q15-L17 VanDerWaalsContact C-N 3.27Å; Q15-L17 PolarHBondContact O-N 3.13Å; L17-N21 VanDerWaalsContact O-CB 3.24Å; L17-N21 WeakPolarHBondContact O-CB 3.21Å; L17-N21 PolarHBondContact O-N 3.03Å |
| 18 | C | 76.9 | Confident | 74.6 | Confident | 87 Ų | 87 | 113.2 Ų | 113.2 | 59% | 0.588 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -66.7 | -42.1 | 177.6 | -160.6 | 0 | 0 | 0 | 0 | 111.7 | V14 Q15 P16 N21 A22 | V14-C18 WeakPolarHBondContact O-CB 3.41Å; V14-C18 PolarHBondContact O-N 3.34Å; Q15-C18 PolarHBondContact O-N 3.09Å; P16-C18 VanDerWaalsContact C-N 3.32Å; P16-C18 PolarHBondContact O-N 3.4Å; C18-N21 PolarHBondContact O-N 3.13Å; C18-A22 WeakPolarHBondContact O-CB 3.33Å; C18-A22 PolarHBondContact O-N 2.89Å |
| 19 | I | 73.4 | Confident | 72.8 | Confident | 112 Ų | 112 | 118.3 Ų | 118.3 | 57% | 0.574 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -68.2 | -42.3 | 177.8 | -64.2 | 165.5 | 0 | 0 | 0 | 111.2 | Q15 P16 A22 | Q15-I19 WeakPolarHBondContact O-CG1 3.49Å; Q15-I19 PolarHBondContact O-N 3.15Å; P16-I19 PolarHBondContact O-N 3.49Å; I19-A22 PolarHBondContact O-N 3.12Å |
| 20 | C | 71.5 | Confident | 71.2 | Confident | 92 Ų | 92 | 122.1 Ų | 122.1 | 62% | 0.622 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -66.2 | -37.4 | 177.3 | -71 | 0 | 0 | 0 | 0 | 112.1 | P16 A22 H23 | P16-C20 VanDerWaalsContact O-CB 3.23Å; P16-C20 WeakPolarHBondContact O-CB 3.35Å; P16-C20 PolarHBondContact O-N 3.43Å; P16-C20 PolarHBondContact O-SG 3.04Å; C20-A22 VanDerWaalsContact C-N 3.33Å; C20-H23 PolarHBondContact O-N 2.6Å |
| 21 | N | 65.6 | Low | 69.6 | Low | 141 Ų | 141 | 127 Ų | 127 | 75% | 0.754 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -74.9 | -24.3 | 176.8 | -160.9 | 14.1 | 0 | 0 | 0 | 112.4 | L17 C18 H23 | L17-N21 VanDerWaalsContact O-CB 3.24Å; L17-N21 WeakPolarHBondContact O-CB 3.21Å; L17-N21 PolarHBondContact O-N 3.03Å; C18-N21 PolarHBondContact O-N 3.13Å; N21-H23 PolarHBondContact O-N 3.3Å |
| 22 | A | 61.5 | Low | 67.9 | Low | 71 Ų | 71 | 130.5 Ų | 130.5 | 59% | 0.587 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -9.1 | 175 | 0 | 0 | 0 | 0 | 0 | 113.6 | C18 I19 C20 P24 | C18-A22 WeakPolarHBondContact O-CB 3.33Å; C18-A22 PolarHBondContact O-N 2.89Å; I19-A22 PolarHBondContact O-N 3.12Å; C20-A22 VanDerWaalsContact C-N 3.33Å; A22-P24 WeakPolarHBondContact O-CD 3.28Å |
| 23 | H | 61.3 | Low | 66.3 | Low | 145 Ų | 145 | 133.4 Ų | 133.4 | 67% | 0.671 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -77.7 | 106.8 | 166.1 | -89.6 | 40.1 | 0 | 0 | 0 | 108.6 | C20 N21 H25 | C20-H23 PolarHBondContact O-N 2.6Å; N21-H23 PolarHBondContact O-N 3.3Å; H23-H25 PolarHBondContact O-N 3.43Å |
| 24 | P | 56.9 | Low | 64.7 | Low | 100 Ų | 100 | 130 Ų | 130 | 65% | 0.649 | 67% | 0.667 | S | S | * | * | trans | -54.1 | 132.6 | 166 | 25 | -32.5 | 0 | 0 | 0 | 106.2 | A22 R26 | A22-P24 WeakPolarHBondContact O-CD 3.28Å; P24-R26 PolarHBondContact O-N 3.4Å | ||
| 25 | H | 59.3 | Low | 63.3 | Low | 157 Ų | 157 | 130.6 Ų | 130.6 | 73% | 0.727 | 67% | 0.673 | S | S | * | * | trans | -51.6 | 83.2 | 167.4 | -91.1 | -31 | 0 | 0 | 0 | 109.2 | H23 R27 | H23-H25 PolarHBondContact O-N 3.43Å; H25-R27 PolarHBondContact O-N 3.17Å | ||
| 26 | R | 54.3 | Low | 62.2 | Low | 237 Ų | 237 | 131.8 Ų | 131.8 | 89% | 0.894 | 69% | 0.688 | S | S | * | * | trans | -74.9 | 55.7 | 154.9 | -74.9 | -153.9 | 175.4 | -156.5 | 2.2 | 106.9 | P24 S28 | P24-R26 PolarHBondContact O-N 3.4Å; R26-S28 PolarHBondContact O-N 3.37Å; R26-S28 VanDerWaalsContact O-N 3.13Å | ||
| 27 | R | 54.5 | Low | 61 | Low | 196 Ų | 196 | 137.1 Ų | 137.1 | 74% | 0.74 | 71% | 0.707 | S | S | * | * | trans | -70.9 | 103.2 | 162.6 | -91.8 | -171.6 | 169.9 | 173.6 | -0.8 | 106.4 | H25 | H25-R27 PolarHBondContact O-N 3.17Š| ||
| 28 | S | 54.6 | Low | 59.8 | Low | 78 Ų | 78 | 139.4 Ų | 139.4 | 55% | 0.545 | 71% | 0.714 | S | S | . | * | trans | 59.7 | 59.8 | 140.5 | 75.7 | 0 | 0 | 0 | 0 | 117.8 | R26 E30 | R26-S28 PolarHBondContact O-N 3.37Å; R26-S28 VanDerWaalsContact O-N 3.13Å; S28-E30 VanDerWaalsContact C-N 3.34Å | ||
| 29 | R | 54.2 | Low | 58.5 | Low | 231 Ų | 231 | 144 Ų | 144 | 87% | 0.872 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -87.4 | -7.8 | 152.9 | -146.1 | 176.4 | 175.7 | 150.4 | -0.2 | 112.8 | ||
| 30 | E | 55.3 | Low | 57.4 | Low | 166 Ų | 166 | 143.2 Ų | 143.2 | 78% | 0.776 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -83.2 | -6.8 | -178.7 | -69.8 | 179.1 | 178 | 0 | 0 | 114.4 | S28 F32 | S28-E30 VanDerWaalsContact C-N 3.34Å; E30-F32 VanDerWaalsContact C-N 3.26Å; E30-F32 PolarHBondContact O-N 3.02Å |
| 31 | L | 56.5 | Low | 56.3 | Low | 153 Ų | 153 | 146.8 Ų | 146.8 | 80% | 0.801 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -83.1 | 2.5 | 172.9 | -71.3 | 172.5 | 0 | 0 | 0 | 113.7 | ||
| 32 | F | 54.4 | Low | 55.3 | Low | 192 Ų | 192 | 144 Ų | 144 | 84% | 0.842 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -107.9 | 5 | 175.6 | -97.9 | -84.1 | 0 | 0 | 0 | 114.2 | E30 G34 | E30-F32 VanDerWaalsContact C-N 3.26Å; E30-F32 PolarHBondContact O-N 3.02Å; F32-G34 PolarHBondContact O-N 2.81Å |
| 33 | L | 57.1 | Low | 54.9 | Low | 148 Ų | 148 | 148.1 Ų | 148.1 | 78% | 0.775 | 75% | 0.747 | S | S | * | * | trans | -80.4 | 82.5 | 163.6 | -73.6 | 166 | 0 | 0 | 0 | 107.3 | ||||
| 34 | G | 57 | Low | 54.3 | Low | 52 Ų | 52 | 149 Ų | 149 | 54% | 0.536 | 75% | 0.751 | S | S | . | * | trans | -51.2 | 163.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | F32 | F32-G34 PolarHBondContact O-N 2.81Š| ||
| 35 | P | 59.7 | Low | 54.3 | Low | 103 Ų | 103 | 151.3 Ų | 151.3 | 67% | 0.669 | 76% | 0.763 | S | S | * | * | trans | -50.6 | 141.5 | -175.3 | 20 | -31.1 | 0 | 0 | 0 | 110.8 | H37 | P35-H37 PolarHBondContact O-N 3.19Š| ||
| 36 | P | 59.5 | Low | 53.7 | Low | 113 Ų | 113 | 148.2 Ų | 148.2 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | trans | -59.7 | 102.3 | 179.7 | 25.2 | -32.3 | 0 | 0 | 0 | 108.2 | H38 | P36-H38 PolarHBondContact O-N 3.15Š| ||
| 37 | H | 57.5 | Low | 53.3 | Low | 182 Ų | 182 | 145.3 Ų | 145.3 | 84% | 0.843 | 75% | 0.751 | S | S | * | * | trans | -68.5 | 92 | 171.7 | -96.6 | -70.3 | 0 | 0 | 0 | 107.4 | P35 H39 | P35-H37 PolarHBondContact O-N 3.19Å; H37-H39 PolarHBondContact O-N 2.99Å; H37-H39 VanDerWaalsContact O-N 3.08Å | ||
| 38 | H | 54.4 | Low | 52.9 | Low | 172 Ų | 172 | 142.5 Ų | 142.5 | 80% | 0.796 | 75% | 0.746 | S | S | * | * | trans | -52.1 | 108.9 | 157.4 | -77 | -83 | 0 | 0 | 0 | 108 | P36 P40 | P36-H38 PolarHBondContact O-N 3.15Å; H38-P40 WeakPolarHBondContact O-CD 3.34Å | ||
| 39 | H | 50.5 | Low | 52.8 | Low | 182 Ų | 182 | 144.3 Ų | 144.3 | 84% | 0.843 | 75% | 0.75 | S | S | * | * | trans | -100.4 | 108 | 167.3 | -149.8 | 63.4 | 0 | 0 | 0 | 108.4 | H37 | H37-H39 PolarHBondContact O-N 2.99Å; H37-H39 VanDerWaalsContact O-N 3.08Å | ||
| 40 | P | 50 | Low | 52.3 | Low | 96 Ų | 96 | 142.6 Ų | 142.6 | 62% | 0.623 | 75% | 0.749 | S | S | * | * | trans | -83.1 | 135.4 | 175.8 | 33.1 | -29.2 | 0 | 0 | 0 | 109.8 | H38 | H38-P40 WeakPolarHBondContact O-CD 3.34Š| ||
| 41 | H | 47.9 | Very low | 52.2 | Low | 167 Ų | 167 | 138 Ų | 138 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | trans | 45.6 | 102 | 149.5 | -64.2 | -3.2 | 0 | 0 | 0 | 118.7 | ||||
| 42 | G | 45.8 | Very low | 52.3 | Low | 82 Ų | 82 | 136.6 Ų | 136.6 | 85% | 0.845 | 75% | 0.747 | S | S | * | * | trans | -123.1 | 100.6 | 157.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 43 | H | 52.5 | Low | 52.2 | Low | 159 Ų | 159 | 133.3 Ų | 133.3 | 74% | 0.736 | 75% | 0.745 | S | S | * | * | trans | -70.3 | 141.9 | 177.8 | -75.6 | -89.3 | 0 | 0 | 0 | 112.4 | ||||
| 44 | H | 47.9 | Very low | 51.8 | Low | 162 Ų | 162 | 129.1 Ų | 129.1 | 75% | 0.75 | 74% | 0.737 | S | S | * | * | trans | 49.3 | 114.5 | 141.4 | -112.7 | -73.9 | 0 | 0 | 0 | 120.5 | ||||
| 45 | V | 57.4 | Low | 51.3 | Low | 149 Ų | 149 | 135.3 Ų | 135.3 | 90% | 0.903 | 75% | 0.752 | S | S | * | * | -164.2 | 123.1 | 125.6 | -106.6 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 46 | P | 46 | Very low | 51 | Low | 93 Ų | 93 | 138.6 Ų | 138.6 | 60% | 0.604 | 76% | 0.758 | S | S | * | * | trans | -96.8 | 136.7 | 159.4 | 34.7 | -24.8 | 0 | 0 | 0 | 109.2 | ||||
| 47 | F | 47.1 | Very low | 50.7 | Low | 176 Ų | 176 | 142.4 Ų | 142.4 | 77% | 0.772 | 77% | 0.765 | S | S | * | * | trans | 171 | 109.9 | 155.5 | -115.3 | -116.6 | 0 | 0 | 0 | 106.5 | ||||
| 48 | E | 46.7 | Very low | 51.3 | Low | 136 Ų | 136 | 138.8 Ų | 138.8 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | 100.9 | 128.2 | 83.8 | -85.8 | -161.9 | 177.2 | 0 | 0 | 111.2 | |||||
| 49 | D | 51 | Low | 51.2 | Low | 116 Ų | 116 | 136.7 Ų | 136.7 | 62% | 0.62 | 76% | 0.76 | S | S | * | * | trans | 80.3 | 112.1 | 136.2 | -76.9 | -0.3 | 0 | 0 | 0 | 123.5 | ||||
| 50 | F | 45.2 | Very low | 51.7 | Low | 195 Ų | 195 | 130.9 Ų | 130.9 | 86% | 0.855 | 75% | 0.749 | S | S | * | * | trans | 57.9 | 103.6 | 137.7 | -60 | -71.9 | 0 | 0 | 0 | 120.1 | ||||
| 51 | G | 52 | Low | 52.3 | Low | 70 Ų | 70 | 131.5 Ų | 131.5 | 72% | 0.722 | 75% | 0.753 | S | S | * | * | trans | -175.7 | 128.8 | 153.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 52 | P | 59.9 | Low | 52.3 | Low | 124 Ų | 124 | 132.5 Ų | 132.5 | 81% | 0.805 | 76% | 0.758 | S | S | * | * | trans | -74.6 | 160.8 | 178.3 | 32.2 | -33.3 | 0 | 0 | 0 | 112.1 | G54 | P52-G54 PolarHBondContact O-N 2.82Å; P52-G54 VanDerWaalsContact O-N 3.14Å | ||
| 53 | P | 51.3 | Low | 52.7 | Low | 123 Ų | 123 | 137.8 Ų | 137.8 | 80% | 0.799 | 75% | 0.753 | S | S | * | * | trans | -75.4 | 108.5 | -157.7 | 29.9 | -33.1 | 0 | 0 | 0 | 112.2 | H55 | P53-H55 PolarHBondContact O-N 3.36Š| ||
| 54 | G | 48.8 | Very low | 52.8 | Low | 60 Ų | 60 | 135.4 Ų | 135.4 | 62% | 0.619 | 75% | 0.752 | S | S | * | * | trans | -74.4 | 104.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | P52 H56 | P52-G54 PolarHBondContact O-N 2.82Å; P52-G54 VanDerWaalsContact O-N 3.14Å; G54-H56 PolarHBondContact O-N 3.33Å; G54-H56 VanDerWaalsContact O-N 3.09Å; G54-H56 PolarHBondContact O-ND1 2.96Å | ||
| 55 | H | 45.6 | Very low | 53 | Low | 181 Ų | 181 | 136.4 Ų | 136.4 | 84% | 0.838 | 75% | 0.751 | S | S | * | * | trans | -51.4 | 104.9 | 167.4 | -72.7 | -72.4 | 0 | 0 | 0 | 112.3 | P53 | P53-H55 PolarHBondContact O-N 3.36Š| ||
| 56 | H | 54.2 | Low | 53 | Low | 173 Ų | 173 | 137.5 Ų | 137.5 | 80% | 0.801 | 75% | 0.752 | S | S | * | * | trans | -134.2 | 102 | 165.1 | -66.9 | 88.5 | 0 | 0 | 0 | 109.4 | G54 P58 | G54-H56 PolarHBondContact O-N 3.33Å; G54-H56 VanDerWaalsContact O-N 3.09Å; G54-H56 PolarHBondContact O-ND1 2.96Å; H56-P58 WeakPolarHBondContact O-CD 3.43Å | ||
| 57 | H | 53.6 | Low | 53.9 | Low | 192 Ų | 192 | 142.4 Ų | 142.4 | 89% | 0.889 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 120 | 161.6 | -98.4 | -83.7 | 0 | 0 | 0 | 108.5 | ||
| 58 | P | 68.5 | Low | 55.3 | Low | 106 Ų | 106 | 139.1 Ų | 139.1 | 69% | 0.688 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 147.4 | 155 | 30.8 | -28.4 | 0 | 0 | 0 | 110.5 | H56 | H56-P58 WeakPolarHBondContact O-CD 3.43Š|
| 59 | P | 53.1 | Low | 56.8 | Low | 128 Ų | 128 | 138 Ų | 138 | 83% | 0.831 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 130.1 | -174.7 | 28.7 | -32.5 | 0 | 0 | 0 | 111 | ||
| 60 | G | 61.8 | Low | 58.2 | Low | 60 Ų | 60 | 138 Ų | 138 | 62% | 0.619 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 139.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 61 | P | 62.6 | Low | 59.8 | Low | 109 Ų | 109 | 135 Ų | 135 | 71% | 0.708 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 127.7 | 164.1 | -14.3 | 29 | 0 | 0 | 0 | 111 | Y63 | P61-Y63 HydrophobicContact CB-CE2 4.2Å; P61-Y63 PolarHBondContact O-N 3.27Å |
| 62 | H | 47.4 | Very low | 61.2 | Low | 188 Ų | 188 | 134.4 Ų | 134.4 | 87% | 0.87 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 119.3 | 176.3 | -72.6 | -140 | 0 | 0 | 0 | 111.3 | ||
| 63 | Y | 53.9 | Low | 62.3 | Low | 193 Ų | 193 | 134.4 Ų | 134.4 | 76% | 0.757 | 76% | 0.76 | S | S | * | * | trans | -126.6 | 126.3 | 162.2 | -75.4 | -81.9 | 0 | 0 | 0 | 109.6 | P61 Y65 | P61-Y63 HydrophobicContact CB-CE2 4.2Å; P61-Y63 PolarHBondContact O-N 3.27Å; Y63-Y65 VanDerWaalsContact C-N 3.34Å; Y63-Y65 PolarHBondContact O-N 3.44Å; Y63-Y65 VanDerWaalsContact O-N 3.08Å | ||
| 64 | P | 54.1 | Low | 63.7 | Low | 110 Ų | 110 | 133.9 Ų | 133.9 | 71% | 0.714 | 76% | 0.757 | S | S | * | * | trans | -86.1 | 77.2 | -179.6 | 35 | -30.4 | 0 | 0 | 0 | 108.9 | ||||
| 65 | Y | 52.6 | Low | 65.2 | Low | 183 Ų | 183 | 137 Ų | 137 | 72% | 0.718 | 77% | 0.766 | S | S | * | * | trans | -141.6 | 99 | 167.6 | -75 | -72.7 | 0 | 0 | 0 | 109.3 | Y63 Y67 | Y63-Y65 VanDerWaalsContact C-N 3.34Å; Y63-Y65 PolarHBondContact O-N 3.44Å; Y63-Y65 VanDerWaalsContact O-N 3.08Å; Y65-Y67 PolarHBondContact O-N 3.48Å | ||
| 66 | D | 57.2 | Low | 66.8 | Low | 172 Ų | 172 | 140.3 Ų | 140.3 | 92% | 0.92 | 77% | 0.772 | S | S | * | * | trans | -62.9 | 71.1 | 169.5 | -71.8 | -71.4 | 0 | 0 | 0 | 111.2 | ||||
| 67 | Y | 65 | Low | 68 | Low | 196 Ų | 196 | 134.9 Ų | 134.9 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 121.6 | 162.2 | -83 | -81.7 | 0 | 0 | 0 | 108.6 | Y65 | Y65-Y67 PolarHBondContact O-N 3.48Š|
| 68 | P | 77.7 | Confident | 69.4 | Low | 107 Ų | 107 | 131.5 Ų | 131.5 | 70% | 0.695 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 141.2 | 171.2 | 24.7 | -31.9 | 0 | 0 | 0 | 109.1 | ||
| 69 | P | 77.3 | Confident | 69.9 | Low | 113 Ų | 113 | 131.9 Ų | 131.9 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 145.5 | 175 | 24.5 | -33.1 | 0 | 0 | 0 | 109.5 | ||
| 70 | P | 79.4 | Confident | 70.8 | Confident | 116 Ų | 116 | 129.6 Ų | 129.6 | 75% | 0.753 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 142.3 | 174 | 24.4 | -32.4 | 0 | 0 | 0 | 109.1 | G72 | P70-G72 PolarHBondContact O-N 3Å; P70-G72 VanDerWaalsContact O-N 3.12Å |
| 71 | P | 80.3 | Confident | 71.5 | Confident | 131 Ų | 131 | 130.2 Ų | 130.2 | 85% | 0.851 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 124.9 | 173.9 | -22.6 | 31.2 | 0 | 0 | 0 | 109 | ||
| 72 | G | 81.2 | Confident | 72 | Confident | 58 Ų | 58 | 131.6 Ų | 131.6 | 60% | 0.598 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 158.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | P70 | P70-G72 PolarHBondContact O-N 3Å; P70-G72 VanDerWaalsContact O-N 3.12Å |
| 73 | P | 83.3 | Confident | 73.3 | Confident | 123 Ų | 123 | 126.4 Ų | 126.4 | 80% | 0.799 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -54 | 142.5 | 173.2 | 24.7 | -33 | 0 | 0 | 0 | 109.4 | ||
| 74 | P | 80.6 | Confident | 73.9 | Confident | 112 Ų | 112 | 123.9 Ų | 123.9 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 144 | 176.7 | 24.1 | -33 | 0 | 0 | 0 | 109.3 | R76 | P74-R76 PolarHBondContact O-N 3.36Š|
| 75 | P | 78.9 | Confident | 74.7 | Confident | 125 Ų | 125 | 124.2 Ų | 124.2 | 81% | 0.812 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -50 | 131.3 | 172 | -23.3 | 31.6 | 0 | 0 | 0 | 109.2 | G77 | P75-G77 PolarHBondContact O-N 3.13Š|
| 76 | R | 79.6 | Confident | 75.2 | Confident | 252 Ų | 252 | 122.8 Ų | 122.8 | 95% | 0.951 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 118 | 170.6 | -74.7 | -177.3 | 177.2 | 175.6 | -0.7 | 106.8 | P74 | P74-R76 PolarHBondContact O-N 3.36Š|
| 77 | G | 79.8 | Confident | 75.8 | Confident | 58 Ų | 58 | 119.9 Ų | 119.9 | 60% | 0.598 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 166 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | P75 | P75-G77 PolarHBondContact O-N 3.13Š|
| 78 | P | 83.2 | Confident | 75.8 | Confident | 121 Ų | 121 | 116.4 Ų | 116.4 | 79% | 0.786 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 146.4 | 175.3 | 25.5 | -33.5 | 0 | 0 | 0 | 110.1 | ||
| 79 | P | 78.7 | Confident | 74.9 | Confident | 115 Ų | 115 | 117.7 Ų | 117.7 | 75% | 0.747 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 143.6 | 173.1 | 25.4 | -33.2 | 0 | 0 | 0 | 109.4 | ||
| 80 | P | 72.4 | Confident | 74.3 | Confident | 79 Ų | 79 | 117.3 Ų | 117.3 | 51% | 0.513 | 73% | 0.725 | S | S | . | * | P | Polyproline II helix | trans | -59 | 148.1 | 173.6 | 25.7 | -33.1 | 0 | 0 | 0 | 109.9 | F84 | P80-F84 HydrophobicContact CB-CB 4.41Š|
| 81 | P | 76.2 | Confident | 73.3 | Confident | 73 Ų | 73 | 118.7 Ų | 118.7 | 47% | 0.474 | 72% | 0.721 | S | S | . | * | P | Polyproline II helix | trans | -59.1 | 146.3 | 176.2 | -16.3 | 27.4 | 0 | 0 | 0 | 110.5 | G83 F84 | P81-G83 PolarHBondContact O-N 2.89Å; P81-G83 VanDerWaalsContact O-N 3.15Å; P81-F84 HydrophobicContact CB-CD2 3.66Å; P81-F84 HydrophobicContact CB-CE2 3.73Å; P81-F84 HydrophobicContact CG-CD2 3.62Å; P81-F84 HydrophobicContact CG-CE2 3.49Å; P81-F84 VanDerWaalsContact CG-CE2 3.49Å; P81-F84 HydrophobicContact CG-CZ 4.4Å; P81-F84 PolarHBondContact O-N 3.08Å |
| 82 | P | 73.5 | Confident | 71.9 | Confident | 139 Ų | 139 | 119.2 Ų | 119.2 | 90% | 0.903 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.4 | 123 | 173.7 | -21.6 | 31.4 | 0 | 0 | 0 | 110 | ||
| 83 | G | 74.2 | Confident | 70.5 | Confident | 79 Ų | 79 | 127.2 Ų | 127.2 | 81% | 0.814 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 103.5 | 0.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | P81 | P81-G83 PolarHBondContact O-N 2.89Å; P81-G83 VanDerWaalsContact O-N 3.15Å |
| 84 | F | 66.2 | Low | 69 | Low | 139 Ų | 139 | 130.5 Ų | 130.5 | 61% | 0.61 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 126.4 | 168.5 | -83.7 | -99.9 | 0 | 0 | 0 | 110.8 | P80 P81 H86 | P80-F84 HydrophobicContact CB-CB 4.41Å; P81-F84 HydrophobicContact CB-CD2 3.66Å; P81-F84 HydrophobicContact CB-CE2 3.73Å; P81-F84 HydrophobicContact CG-CD2 3.62Å; P81-F84 HydrophobicContact CG-CE2 3.49Å; P81-F84 VanDerWaalsContact CG-CE2 3.49Å; P81-F84 HydrophobicContact CG-CZ 4.4Å; P81-F84 PolarHBondContact O-N 3.08Å; F84-H86 PolarHBondContact O-N 3Å |
| 85 | P | 72.2 | Confident | 67.2 | Low | 117 Ų | 117 | 128.6 Ų | 128.6 | 76% | 0.76 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 125.8 | 171.6 | 24.6 | -30.1 | 0 | 0 | 0 | 108.9 | ||
| 86 | H | 63.3 | Low | 65.5 | Low | 154 Ų | 154 | 125.1 Ų | 125.1 | 71% | 0.713 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 138.7 | 170.6 | -73.5 | -77.2 | 0 | 0 | 0 | 109.2 | F84 | F84-H86 PolarHBondContact O-N 3Š|
| 87 | P | 68.7 | Low | 64.1 | Low | 110 Ų | 110 | 123.8 Ų | 123.8 | 71% | 0.714 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 139.7 | 171.1 | 24.6 | -32.2 | 0 | 0 | 0 | 108.9 | H89 | P87-H89 PolarHBondContact O-N 3.25Å; P87-H89 VanDerWaalsContact O-N 3.13Å |
| 88 | P | 66.1 | Low | 62.6 | Low | 124 Ų | 124 | 130.7 Ų | 130.7 | 81% | 0.805 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 124.3 | -179.8 | 21.1 | -30.7 | 0 | 0 | 0 | 109.1 | ||
| 89 | H | 58.3 | Low | 61.3 | Low | 134 Ų | 134 | 136 Ų | 136 | 62% | 0.62 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 131.5 | 179 | -151.2 | 58.1 | 0 | 0 | 0 | 108.2 | P87 H91 | P87-H89 PolarHBondContact O-N 3.25Å; P87-H89 VanDerWaalsContact O-N 3.13Å; H89-H91 AromaticContact CD2-CD2 3.83Å; H89-H91 AromaticContact NE2-CD2 3.86Å; H89-H91 PolarHBondContact O-N 3.37Å |
| 90 | P | 64.5 | Low | 60.4 | Low | 104 Ų | 104 | 139 Ų | 139 | 68% | 0.675 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | 8.6 | -173.1 | 24.4 | -32 | 0 | 0 | 0 | 115 | ||
| 91 | H | 57.3 | Low | 59.7 | Low | 146 Ų | 146 | 141.1 Ų | 141.1 | 68% | 0.676 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | -13 | -177.8 | -83.9 | -59.2 | 0 | 0 | 0 | 115.4 | H89 R93 | H89-H91 AromaticContact CD2-CD2 3.83Å; H89-H91 AromaticContact NE2-CD2 3.86Å; H89-H91 PolarHBondContact O-N 3.37Å; H91-R93 VanDerWaalsContact C-N 3.27Å; H91-R93 PolarHBondContact O-N 3.27Å |
| 92 | D | 52.5 | Low | 59 | Low | 142 Ų | 142 | 143.3 Ų | 143.3 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -81.5 | -2.4 | 176 | -67.5 | -45.2 | 0 | 0 | 0 | 113.9 | F94 | D92-F94 PolarHBondContact O-N 3.41Š|
| 93 | R | 51.4 | Low | 58 | Low | 226 Ų | 226 | 145.3 Ų | 145.3 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | G | 310 helix | trans | -74.4 | -10.3 | -179.2 | -136.2 | -179.6 | -151.1 | 178.9 | 6.4 | 114.4 | H91 | H91-R93 VanDerWaalsContact C-N 3.27Å; H91-R93 PolarHBondContact O-N 3.27Å |
| 94 | F | 51 | Low | 56.7 | Low | 192 Ų | 192 | 146.4 Ų | 146.4 | 84% | 0.842 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -122.4 | 8.5 | -174.4 | -68.2 | -80.6 | 0 | 0 | 0 | 114.3 | D92 | D92-F94 PolarHBondContact O-N 3.41Š|
| 95 | G | 43.7 | Very low | 56 | Low | 72 Ų | 72 | 147.4 Ų | 147.4 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | trans | -113.9 | 80.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 96 | G | 43.7 | Very low | 55 | Low | 52 Ų | 52 | 147.1 Ų | 147.1 | 54% | 0.536 | 77% | 0.769 | S | S | . | * | S | Bend | trans | 172.1 | 118.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 97 | Y | 48.9 | Very low | 54.9 | Low | 223 Ų | 223 | 145.7 Ų | 145.7 | 88% | 0.875 | 76% | 0.763 | S | S | * | * | trans | 82 | 88.7 | 162.1 | -44.1 | -72.3 | 0 | 0 | 0 | 116.4 | R99 | Y97-R99 VanDerWaalsContact C-N 3.32Å; Y97-R99 PolarHBondContact O-N 3.19Å | ||
| 98 | H | 48.5 | Very low | 54.5 | Low | 203 Ų | 203 | 149.6 Ų | 149.6 | 94% | 0.94 | 77% | 0.771 | S | S | * | * | trans | -55.2 | 95.8 | 146.3 | -65.8 | -73.6 | 0 | 0 | 0 | 109.4 | ||||
| 99 | R | 55.8 | Low | 54.3 | Low | 232 Ų | 232 | 151.3 Ų | 151.3 | 88% | 0.875 | 77% | 0.768 | S | S | * | * | trans | -125.5 | 126.5 | 160.5 | -103.9 | -173.9 | 180 | 170.9 | 1.3 | 108.8 | Y97 | Y97-R99 VanDerWaalsContact C-N 3.32Å; Y97-R99 PolarHBondContact O-N 3.19Å | ||
| 100 | H | 59.2 | Low | 54.7 | Low | 179 Ų | 179 | 148.2 Ų | 148.2 | 83% | 0.829 | 76% | 0.761 | S | S | * | * | trans | -43.7 | 145.8 | 176.9 | -86 | -102.9 | 0 | 0 | 0 | 112.7 | S102 | H100-S102 PolarHBondContact O-N 2.95Š| ||
| 101 | P | 59.5 | Low | 55 | Low | 124 Ų | 124 | 147.7 Ų | 147.7 | 81% | 0.805 | 76% | 0.758 | S | S | * | * | trans | -69.1 | 105.9 | 170.7 | 28 | -29.9 | 0 | 0 | 0 | 108.8 | H103 | P101-H103 PolarHBondContact O-N 3.44Š| ||
| 102 | S | 60.8 | Low | 55.6 | Low | 119 Ų | 119 | 144 Ų | 144 | 83% | 0.832 | 75% | 0.749 | S | S | * | * | trans | -73.1 | 108.3 | 163.4 | 46.4 | 0 | 0 | 0 | 0 | 108.3 | H100 | H100-S102 PolarHBondContact O-N 2.95Š| ||
| 103 | H | 52.7 | Low | 56.2 | Low | 181 Ų | 181 | 141.5 Ų | 141.5 | 84% | 0.838 | 74% | 0.738 | S | S | * | * | trans | -55.8 | 164.4 | 164.6 | -116.1 | -5.3 | 0 | 0 | 0 | 111.4 | P101 | P101-H103 PolarHBondContact O-N 3.44Š| ||
| 104 | S | 47.2 | Very low | 56.9 | Low | 101 Ų | 101 | 134.9 Ų | 134.9 | 71% | 0.706 | 73% | 0.727 | S | S | * | * | trans | 74.4 | 94.3 | 169.7 | 52.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 105 | H | 51.7 | Low | 57.7 | Low | 161 Ų | 161 | 130 Ų | 130 | 75% | 0.745 | 71% | 0.705 | S | S | * | * | -158.8 | 109.3 | 112.1 | -91.1 | -55.6 | 0 | 0 | 0 | 110.3 | H107 | H105-H107 PolarHBondContact O-N 3.26Å; H105-H107 VanDerWaalsContact O-N 3.14Å | |||
| 106 | S | 50.8 | Low | 59 | Low | 110 Ų | 110 | 134.1 Ų | 134.1 | 77% | 0.769 | 71% | 0.705 | S | S | * | * | trans | -72 | 92.5 | 164.3 | 49.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 107 | H | 60.6 | Low | 60.1 | Low | 124 Ų | 124 | 136.9 Ų | 136.9 | 57% | 0.574 | 71% | 0.707 | S | S | * | * | trans | -89.5 | 123.4 | 160.2 | -70 | -60.4 | 0 | 0 | 0 | 107.8 | H105 H109 | H105-H107 PolarHBondContact O-N 3.26Å; H105-H107 VanDerWaalsContact O-N 3.14Å; H107-H109 PolarHBondContact O-CD2 3.48Å; H107-H109 PolarHBondContact O-N 2.92Å | ||
| 108 | H | 60.1 | Low | 60.8 | Low | 192 Ų | 192 | 128.1 Ų | 128.1 | 89% | 0.889 | 68% | 0.684 | S | S | * | * | trans | -55.7 | 85.3 | 168.8 | -71.2 | -88.8 | 0 | 0 | 0 | 109.1 | S110 | H108-S110 PolarHBondContact O-N 3.37Š| ||
| 109 | H | 62.1 | Low | 61.3 | Low | 161 Ų | 161 | 123.4 Ų | 123.4 | 75% | 0.745 | 67% | 0.674 | S | S | * | * | trans | -80.7 | 107.2 | 171.8 | -74.9 | -71.5 | 0 | 0 | 0 | 106.9 | H107 | H107-H109 PolarHBondContact O-CD2 3.48Å; H107-H109 PolarHBondContact O-N 2.92Å | ||
| 110 | S | 66.9 | Low | 61.7 | Low | 68 Ų | 68 | 124 Ų | 124 | 48% | 0.476 | 68% | 0.676 | S | S | . | * | trans | -45.7 | 137 | 163.1 | -83.4 | 0 | 0 | 0 | 0 | 109.3 | H108 S112 L130 | H108-S110 PolarHBondContact O-N 3.37Å; S110-S112 PolarHBondContact O-N 2.96Å; S110-L130 WeakPolarHBondContact CB-O 3.48Å; S110-L130 PolarHBondContact OG-O 3.4Å; S110-L130 VanDerWaalsContact OG-O 3.04Å | ||
| 111 | P | 70.3 | Confident | 61.8 | Low | 93 Ų | 93 | 123.5 Ų | 123.5 | 60% | 0.604 | 67% | 0.674 | S | S | * | * | trans | -59.8 | 113 | 175.3 | 25.2 | -31.5 | 0 | 0 | 0 | 108.6 | L130 | P111-L130 PolarHBondContact O-N 3.48Š| ||
| 112 | S | 70 | Confident | 61.8 | Low | 70 Ų | 70 | 125 Ų | 125 | 49% | 0.49 | 67% | 0.674 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.5 | 131.5 | 171.2 | 59.5 | 0 | 0 | 0 | 0 | 109.1 | S110 F128 | S110-S112 PolarHBondContact O-N 2.96Å; S112-F128 WeakPolarHBondContact CA-O 3.07Å |
| 113 | V | 64.8 | Low | 61.4 | Low | 89 Ų | 89 | 121.7 Ų | 121.7 | 54% | 0.539 | 66% | 0.659 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.1 | 118.6 | 171.9 | -178.4 | 0 | 0 | 0 | 0 | 107 | F128 | V113-F128 PolarHBondContact N-O 3.1Å; V113-F128 VanDerWaalsContact N-O 3.16Å; V113-F128 PolarHBondContact O-N 3.24Å; V113-F128 VanDerWaalsContact O-N 3.09Å |
| 114 | S | 67.4 | Low | 62 | Low | 87 Ų | 87 | 115.2 Ų | 115.2 | 61% | 0.608 | 64% | 0.641 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -109 | 134.3 | 172.8 | 57 | 0 | 0 | 0 | 0 | 109.1 | ||
| 115 | F | 67.2 | Low | 63 | Low | 89 Ų | 89 | 113.2 Ų | 113.2 | 39% | 0.39 | 64% | 0.636 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -126.9 | 139.4 | 168.8 | 47.4 | -99.7 | 0 | 0 | 0 | 109.5 | I117 V126 F128 | F115-I117 HydrophobicContact CD2-CD1 3.33Å; F115-I117 HydrophobicContact CD2-CG1 3.78Å; F115-I117 HydrophobicContact CE2-CD1 3.27Å; F115-I117 HydrophobicContact CE2-CG1 4.24Å; F115-V126 HydrophobicContact CE2-CB 3.94Å; F115-V126 HydrophobicContact CE2-CG2 4.21Å; F115-V126 HydrophobicContact CZ-CB 4.37Å; F115-V126 PolarHBondContact N-O 3.33Å; F115-V126 PolarHBondContact O-N 3.13Å; F115-V126 VanDerWaalsContact O-N 3.13Å; F115-F128 AromaticContact CE1-CD2 3.69Å; F115-F128 HydrophobicContact CE1-CD2 3.69Å; F115-F128 AromaticContact CE1-CE2 3.66Å; F115-F128 HydrophobicContact CE1-CE2 3.66Å; F115-F128 HydrophobicContact CE2-CE2 4.22Å; F115-F128 AromaticContact CZ-CD2 3.86Å; F115-F128 HydrophobicContact CZ-CD2 3.86Å; F115-F128 AromaticContact CZ-CE2 3.31Å; F115-F128 HydrophobicContact CZ-CE2 3.31Å; F115-F128 HydrophobicContact CZ-CZ 4.31Å |
| 116 | E | 71.1 | Confident | 63.8 | Low | 159 Ų | 159 | 108.6 Ų | 108.6 | 74% | 0.743 | 62% | 0.619 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -92.4 | 121.1 | 172.5 | -171.5 | 179.9 | 161.1 | 0 | 0 | 107.9 | ||
| 117 | I | 67.7 | Low | 64.6 | Low | 110 Ų | 110 | 107.7 Ų | 107.7 | 56% | 0.564 | 61% | 0.609 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -112.1 | 104.8 | 172.2 | -66.1 | 155.2 | 0 | 0 | 0 | 106.3 | F115 G124 | F115-I117 HydrophobicContact CD2-CD1 3.33Å; F115-I117 HydrophobicContact CD2-CG1 3.78Å; F115-I117 HydrophobicContact CE2-CD1 3.27Å; F115-I117 HydrophobicContact CE2-CG1 4.24Å; I117-G124 PolarHBondContact O-N 2.91Å |
| 118 | G | 63 | Low | 64.8 | Low | 39 Ų | 39 | 106.9 Ų | 106.9 | 40% | 0.402 | 60% | 0.604 | S | S | . | * | trans | -173.3 | 123.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 119 | S | 58.6 | Low | 65.2 | Low | 103 Ų | 103 | 107.6 Ų | 107.6 | 72% | 0.72 | 60% | 0.599 | S | S | * | * | trans | -67.6 | 148.9 | 151.2 | -64.2 | 0 | 0 | 0 | 0 | 107.8 | H121 L122 | S119-H121 PolarHBondContact O-N 2.99Å; S119-L122 PolarHBondContact O-N 3.37Å | ||
| 120 | R | 63.6 | Low | 65.1 | Low | 245 Ų | 245 | 108 Ų | 108 | 93% | 0.925 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51 | 8.3 | -168.5 | -51.9 | -179.1 | -167.1 | -157.6 | 2.1 | 117.7 | ||
| 121 | H | 62.2 | Low | 65 | Low | 169 Ų | 169 | 110.1 Ų | 110.1 | 78% | 0.782 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128 | -13.1 | -175.6 | -53.7 | -60.4 | 0 | 0 | 0 | 114.3 | S119 | S119-H121 PolarHBondContact O-N 2.99Š|
| 122 | L | 58.4 | Low | 64.8 | Low | 155 Ų | 155 | 110.9 Ų | 110.9 | 81% | 0.812 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -148 | 39 | -174.7 | -86.2 | 104.6 | 0 | 0 | 0 | 113.6 | S119 G124 | S119-L122 PolarHBondContact O-N 3.37Å; L122-G124 PolarHBondContact O-N 3.33Å; L122-G124 VanDerWaalsContact O-N 3.15Å |
| 123 | G | 52.6 | Low | 64.5 | Low | 50 Ų | 50 | 113.2 Ų | 113.2 | 52% | 0.515 | 62% | 0.62 | S | S | . | * | trans | -72.8 | 104.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 124 | G | 65.2 | Low | 64.5 | Low | 45 Ų | 45 | 114.6 Ų | 114.6 | 46% | 0.464 | 63% | 0.625 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.5 | 117.3 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | I117 L122 | I117-G124 PolarHBondContact O-N 2.91Å; L122-G124 PolarHBondContact O-N 3.33Å; L122-G124 VanDerWaalsContact O-N 3.15Å |
| 125 | G | 69.5 | Low | 64.3 | Low | 59 Ų | 59 | 116.4 Ų | 116.4 | 61% | 0.608 | 63% | 0.626 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -84.3 | 147 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 126 | V | 67.5 | Low | 64.1 | Low | 64 Ų | 64 | 118.2 Ų | 118.2 | 39% | 0.388 | 64% | 0.641 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -119.6 | 134.9 | 171.5 | -161.8 | 0 | 0 | 0 | 0 | 108.6 | F115 F128 | F115-V126 HydrophobicContact CE2-CB 3.94Å; F115-V126 HydrophobicContact CE2-CG2 4.21Å; F115-V126 HydrophobicContact CZ-CB 4.37Å; F115-V126 PolarHBondContact N-O 3.33Å; F115-V126 PolarHBondContact O-N 3.13Å; F115-V126 VanDerWaalsContact O-N 3.13Å; V126-F128 HydrophobicContact CB-CE2 3.93Å; V126-F128 HydrophobicContact CG1-CD2 4.2Å; V126-F128 HydrophobicContact CG1-CE2 3.39Å; V126-F128 HydrophobicContact CG1-CZ 3.7Å |
| 127 | T | 67.7 | Low | 63.6 | Low | 90 Ų | 90 | 115.3 Ų | 115.3 | 55% | 0.552 | 63% | 0.634 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -115 | 126.3 | 177.5 | -57.1 | 0 | 0 | 0 | 0 | 109.4 | ||
| 128 | F | 64.2 | Low | 63.3 | Low | 107 Ų | 107 | 115.7 Ų | 115.7 | 47% | 0.469 | 64% | 0.639 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.2 | 137.5 | 171.4 | -65.5 | -92.5 | 0 | 0 | 0 | 109.4 | S112 V113 F115 V126 | S112-F128 WeakPolarHBondContact CA-O 3.07Å; V113-F128 PolarHBondContact N-O 3.1Å; V113-F128 VanDerWaalsContact N-O 3.16Å; V113-F128 PolarHBondContact O-N 3.24Å; V113-F128 VanDerWaalsContact O-N 3.09Å; F115-F128 AromaticContact CE1-CD2 3.69Å; F115-F128 HydrophobicContact CE1-CD2 3.69Å; F115-F128 AromaticContact CE1-CE2 3.66Å; F115-F128 HydrophobicContact CE1-CE2 3.66Å; F115-F128 HydrophobicContact CE2-CE2 4.22Å; F115-F128 AromaticContact CZ-CD2 3.86Å; F115-F128 HydrophobicContact CZ-CD2 3.86Å; F115-F128 AromaticContact CZ-CE2 3.31Å; F115-F128 HydrophobicContact CZ-CE2 3.31Å; F115-F128 HydrophobicContact CZ-CZ 4.31Å; V126-F128 HydrophobicContact CB-CE2 3.93Å; V126-F128 HydrophobicContact CG1-CD2 4.2Å; V126-F128 HydrophobicContact CG1-CE2 3.39Å; V126-F128 HydrophobicContact CG1-CZ 3.7Å |
| 129 | R | 69.8 | Low | 63.3 | Low | 208 Ų | 208 | 122.1 Ų | 122.1 | 79% | 0.785 | 66% | 0.659 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -113.8 | 128.1 | 173.3 | -69.4 | -178.8 | 167.4 | -130 | -1.2 | 108 | ||
| 130 | L | 60.3 | Low | 63.7 | Low | 170 Ų | 170 | 123.8 Ų | 123.8 | 89% | 0.89 | 65% | 0.654 | S | S | * | * | trans | -97.6 | 0 | 172.6 | -85.6 | 80.6 | 0 | 0 | 0 | 111.5 | S110 P111 | S110-L130 WeakPolarHBondContact CB-O 3.48Å; S110-L130 PolarHBondContact OG-O 3.4Å; S110-L130 VanDerWaalsContact OG-O 3.04Å; P111-L130 PolarHBondContact O-N 3.48Å |
Retrieved 130 of 130 residues in 54.1 ms
(Link to these results)