| 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 | 34.1 | Very low | 49 | Very low | 240 Ų | 240 | 119.8 Ų | 119.8 | 100% | 1.182 | 69% | 0.688 | S | S | * | * | 0 | 123.8 | 0 | -74.7 | 163.5 | 72.5 | 0 | 0 | 108.1 | |||||
| 2 | S | 36.9 | Very low | 49.2 | Very low | 95 Ų | 95 | 121.7 Ų | 121.7 | 66% | 0.664 | 69% | 0.692 | S | S | * | * | trans | 56.2 | 90.9 | 162.1 | 164 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 3 | A | 48.1 | Very low | 49.3 | Very low | 100 Ų | 100 | 124.3 Ų | 124.3 | 83% | 0.826 | 70% | 0.702 | S | S | * | * | 46 | 62.4 | 52.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 4 | N | 48.2 | Very low | 49.1 | Very low | 145 Ų | 145 | 126.8 Ų | 126.8 | 78% | 0.775 | 71% | 0.705 | S | S | * | * | trans | -148.2 | 41.7 | 169.3 | -105.1 | -9.3 | 0 | 0 | 0 | 111.5 | S6 | N4-S6 PolarHBondContact O-N 3.26Å; N4-S6 VanDerWaalsContact O-N 3.14Å | ||
| 5 | S | 52.2 | Low | 49.3 | Very low | 104 Ų | 104 | 123.3 Ų | 123.3 | 73% | 0.727 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -68.4 | 108.3 | 158.2 | 53.9 | 0 | 0 | 0 | 0 | 106.9 | R7 | S5-R7 PolarHBondContact O-N 2.82Š|
| 6 | S | 52.6 | Low | 49.7 | Very low | 73 Ų | 73 | 122.1 Ų | 122.1 | 51% | 0.51 | 70% | 0.701 | S | S | . | * | trans | -41 | 123.1 | -168.5 | 53.1 | 0 | 0 | 0 | 0 | 114.3 | N4 A8 G9 Q10 | N4-S6 PolarHBondContact O-N 3.26Å; N4-S6 VanDerWaalsContact O-N 3.14Å; S6-A8 PolarHBondContact O-N 3.2Å; S6-G9 PolarHBondContact O-N 3.34Å; S6-G9 PolarHBondContact OG-N 3.35Å; S6-Q10 PolarHBondContact O-N 3.37Å | ||
| 7 | R | 53.3 | Low | 50.5 | Low | 217 Ų | 217 | 119.8 Ų | 119.8 | 82% | 0.819 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -49.8 | -26.3 | 163.7 | -84.3 | 178.8 | 162.1 | 173.1 | -5.6 | 112.4 | S5 L11 | S5-R7 PolarHBondContact O-N 2.82Å; R7-L11 WeakPolarHBondContact O-CB 3.49Å; R7-L11 WeakPolarHBondContact O-CG 3.16Å; R7-L11 PolarHBondContact O-N 3.32Å |
| 8 | A | 54.9 | Low | 51.1 | Low | 61 Ų | 61 | 120.3 Ų | 120.3 | 50% | 0.504 | 71% | 0.709 | S | S | . | * | H | α-helix | trans | -67.7 | -36.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | S6 L11 L12 | S6-A8 PolarHBondContact O-N 3.2Å; A8-L11 PolarHBondContact O-N 2.99Å; A8-L12 PolarHBondContact O-N 3.32Å |
| 9 | G | 52.9 | Low | 51.9 | Low | 28 Ų | 28 | 122.9 Ų | 122.9 | 29% | 0.289 | 72% | 0.718 | S | S | . | * | H | α-helix | trans | -70.4 | -34.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | S6 L13 | S6-G9 PolarHBondContact O-N 3.34Å; S6-G9 PolarHBondContact OG-N 3.35Å; G9-L13 WeakPolarHBondContact O-CD1 3.5Å; G9-L13 PolarHBondContact O-N 2.96Å; G9-L13 VanDerWaalsContact O-N 3.16Å |
| 10 | Q | 54 | Low | 52.5 | Low | 125 Ų | 125 | 121.5 Ų | 121.5 | 58% | 0.584 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -73 | -35.4 | 173 | -81.9 | 175.5 | -34 | 0 | 0 | 112.8 | S6 Q14 | S6-Q10 PolarHBondContact O-N 3.37Å; Q10-Q14 VanDerWaalsContact O-CB 3.28Å; Q10-Q14 WeakPolarHBondContact O-CB 3.47Å; Q10-Q14 PolarHBondContact O-N 3.25Å |
| 11 | L | 52 | Low | 53.3 | Low | 130 Ų | 130 | 127 Ų | 127 | 68% | 0.681 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -69.1 | -34.3 | 174.8 | -87.5 | 159.1 | 0 | 0 | 0 | 113.1 | R7 A8 Q14 | R7-L11 WeakPolarHBondContact O-CB 3.49Å; R7-L11 WeakPolarHBondContact O-CG 3.16Å; R7-L11 PolarHBondContact O-N 3.32Å; A8-L11 PolarHBondContact O-N 2.99Å; L11-Q14 PolarHBondContact O-N 3.25Å |
| 12 | L | 51.5 | Low | 54.8 | Low | 142 Ų | 142 | 121.7 Ų | 121.7 | 74% | 0.743 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -74.1 | -35.5 | 174.7 | -78.9 | 170 | 0 | 0 | 0 | 113 | A8 Q14 A15 | A8-L12 PolarHBondContact O-N 3.32Å; L12-Q14 PolarHBondContact O-N 3.19Å; L12-A15 WeakPolarHBondContact O-CB 3.48Å; L12-A15 PolarHBondContact O-N 3.39Å |
| 13 | L | 50.1 | Low | 55.9 | Low | 156 Ų | 156 | 125.8 Ų | 125.8 | 82% | 0.817 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -71.3 | -19.5 | 171.7 | -103.1 | 87.3 | 0 | 0 | 0 | 113.2 | G9 A15 | G9-L13 WeakPolarHBondContact O-CD1 3.5Å; G9-L13 PolarHBondContact O-N 2.96Å; G9-L13 VanDerWaalsContact O-N 3.16Å; L13-A15 PolarHBondContact O-N 2.81Å |
| 14 | Q | 47.3 | Very low | 56.9 | Low | 159 Ų | 159 | 127 Ų | 127 | 74% | 0.743 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | 23.3 | 174.6 | -155.7 | 151.6 | -38.4 | 0 | 0 | 112 | Q10 L11 L12 S16 | Q10-Q14 VanDerWaalsContact O-CB 3.28Å; Q10-Q14 WeakPolarHBondContact O-CB 3.47Å; Q10-Q14 PolarHBondContact O-N 3.25Å; L11-Q14 PolarHBondContact O-N 3.25Å; L12-Q14 PolarHBondContact O-N 3.19Å; Q14-S16 PolarHBondContact O-N 3.34Å |
| 15 | A | 51.7 | Low | 58 | Low | 75 Ų | 75 | 126.1 Ų | 126.1 | 62% | 0.62 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -67.1 | 79.7 | 152 | 0 | 0 | 0 | 0 | 0 | 107.9 | L12 L13 A17 | L12-A15 WeakPolarHBondContact O-CB 3.48Å; L12-A15 PolarHBondContact O-N 3.39Å; L13-A15 PolarHBondContact O-N 2.81Å; A15-A17 PolarHBondContact O-N 3.2Å |
| 16 | S | 55 | Low | 59.3 | Low | 104 Ų | 104 | 123.6 Ų | 123.6 | 73% | 0.727 | 67% | 0.671 | S | S | * | * | trans | 18.2 | 89.4 | 165.8 | 55.4 | 0 | 0 | 0 | 0 | 115.4 | Q14 C18 | Q14-S16 PolarHBondContact O-N 3.34Å; S16-C18 PolarHBondContact O-N 2.97Å | ||
| 17 | A | 63.3 | Low | 60.7 | Low | 82 Ų | 82 | 121.7 Ų | 121.7 | 68% | 0.678 | 66% | 0.664 | S | S | * | * | trans | -53.8 | 133.8 | 160.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | A15 I19 | A15-A17 PolarHBondContact O-N 3.2Å; A17-I19 WeakPolarHBondContact O-CG1 3.48Å; A17-I19 PolarHBondContact O-N 3.06Å | ||
| 18 | C | 61.9 | Low | 62.4 | Low | 130 Ų | 130 | 115.5 Ų | 115.5 | 88% | 0.878 | 66% | 0.658 | S | S | * | * | trans | -59.8 | 102.4 | 175.5 | -94.3 | 0 | 0 | 0 | 0 | 109.5 | S16 S20 | S16-C18 PolarHBondContact O-N 2.97Å; C18-S20 VanDerWaalsContact C-N 3.3Å | ||
| 19 | I | 65.6 | Low | 63.9 | Low | 170 Ų | 170 | 115.5 Ų | 115.5 | 87% | 0.872 | 65% | 0.652 | S | S | * | * | trans | -77.7 | -21.5 | -174.4 | -42.2 | -178.9 | 0 | 0 | 0 | 110.8 | A17 | A17-I19 WeakPolarHBondContact O-CG1 3.48Å; A17-I19 PolarHBondContact O-N 3.06Å | ||
| 20 | S | 64.3 | Low | 65.7 | Low | 93 Ų | 93 | 118 Ų | 118 | 65% | 0.65 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -153.1 | 146.1 | 174 | -173.3 | 0 | 0 | 0 | 0 | 110.5 | C18 K22 | C18-S20 VanDerWaalsContact C-N 3.3Å; S20-K22 PolarHBondContact O-N 2.92Å |
| 21 | W | 68.6 | Low | 67.5 | Low | 239 Ų | 239 | 116.4 Ų | 116.4 | 91% | 0.905 | 65% | 0.646 | S | S | * | * | trans | -64 | 133.5 | 164.2 | -67.4 | 95 | 0 | 0 | 0 | 108.7 | Q23 | W21-Q23 PolarHBondContact O-N 3.47Š| ||
| 22 | K | 66.8 | Low | 69.5 | Low | 127 Ų | 127 | 114.6 Ų | 114.6 | 55% | 0.552 | 64% | 0.636 | S | S | * | * | trans | -68.5 | 123.7 | 172.9 | -169.2 | 179.8 | 171.4 | -159.3 | 0 | 107.6 | S20 E26 | S20-K22 PolarHBondContact O-N 2.92Å; K22-E26 IonicContact NZ-OE1 3.28Å; K22-E26 PolarHBondContact NZ-OE1 3.23Å; K22-E26 IonicContact NZ-OE2 3.36Å | ||
| 23 | Q | 59.3 | Low | 71.4 | Confident | 182 Ų | 182 | 107.9 Ų | 107.9 | 85% | 0.85 | 60% | 0.601 | S | S | * | * | trans | -89.2 | -11.9 | -169.1 | -145.8 | 150.9 | -16.2 | 0 | 0 | 112.9 | W21 | W21-Q23 PolarHBondContact O-N 3.47Š| ||
| 24 | D | 68.9 | Low | 73.5 | Confident | 124 Ų | 124 | 103.5 Ų | 103.5 | 66% | 0.663 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -82.7 | 132.4 | 177.3 | -60.4 | -39.9 | 0 | 0 | 0 | 111 | ||
| 25 | V | 71.1 | Confident | 75.8 | Confident | 127 Ų | 127 | 99.3 Ų | 99.3 | 77% | 0.77 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 134.5 | 172 | -170.8 | 0 | 0 | 0 | 0 | 108.4 | ||
| 26 | E | 80 | Confident | 77.9 | Confident | 51 Ų | 51 | 97.2 Ų | 97.2 | 24% | 0.238 | 54% | 0.544 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 147.9 | 179.4 | -69.2 | -60.6 | 157.8 | 0 | 0 | 111.8 | K22 Y30 H31 W67 | K22-E26 IonicContact NZ-OE1 3.28Å; K22-E26 PolarHBondContact NZ-OE1 3.23Å; K22-E26 IonicContact NZ-OE2 3.36Å; E26-Y30 HydrophobicContact CB-CD1 3.54Å; E26-Y30 HydrophobicContact CB-CE1 4.18Å; E26-Y30 HydrophobicContact CB-CG 3.79Å; E26-Y30 HydrophobicContact CG-CD1 4.19Å; E26-Y30 HydrophobicContact CG-CE1 4.41Å; E26-Y30 HydrophobicContact CG-CG 4.39Å; E26-H31 PolarHBondContact O-CD2 3.08Å; E26-H31 PolarHBondContact O-NE2 3.23Å; E26-W67 HydrophobicContact CG-CZ2 4.35Å; E26-W67 VanDerWaalsContact OE2-CZ2 3.24Å; E26-W67 WeakPolarHBondContact OE2-CZ2 3.19Å; E26-W67 PolarHBondContact OE2-NE1 3.47Å |
| 27 | G | 82.9 | Confident | 79.8 | Confident | 34 Ų | 34 | 93.3 Ų | 93.3 | 35% | 0.351 | 52% | 0.515 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 162.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | V29 Y30 H31 | G27-V29 PolarHBondContact O-N 2.9Å; G27-Y30 VanDerWaalsContact O-CB 3.31Å; G27-Y30 WeakPolarHBondContact O-CB 3.41Å; G27-Y30 PolarHBondContact O-N 2.86Å; G27-H31 PolarHBondContact O-N 3.39Å |
| 28 | A | 87.6 | Confident | 81.3 | Confident | 86 Ų | 86 | 94.8 Ų | 94.8 | 71% | 0.711 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -53.5 | -33.1 | -179 | 0 | 0 | 0 | 0 | 0 | 114 | Y30 H31 L32 | A28-Y30 VanDerWaalsContact C-N 3.3Å; A28-Y30 PolarHBondContact O-N 3.17Å; A28-H31 PolarHBondContact O-N 3.25Å; A28-L32 WeakPolarHBondContact O-CB 3.45Å; A28-L32 PolarHBondContact O-N 3.48Å |
| 29 | V | 88.1 | Confident | 82.9 | Confident | 62 Ų | 62 | 91.9 Ų | 91.9 | 38% | 0.376 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.5 | -35.8 | 177.9 | -175.3 | 0 | 0 | 0 | 0 | 111.8 | G27 A33 C63 L66 W67 | G27-V29 PolarHBondContact O-N 2.9Å; V29-A33 WeakPolarHBondContact O-CB 3.32Å; V29-A33 PolarHBondContact O-N 3.11Å; V29-C63 HydrophobicContact CG1-CB 4.32Å; V29-C63 WeakPolarHBondContact CG1-O 3.45Å; V29-L66 HydrophobicContact CG1-CB 4.38Å; V29-W67 HydrophobicContact CB-CB 4.34Å; V29-W67 HydrophobicContact CG1-CB 4.01Å |
| 30 | Y | 89.1 | Confident | 84.2 | Confident | 81 Ų | 81 | 83.8 Ų | 83.8 | 32% | 0.318 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65.9 | -47 | 176 | 176.1 | -99 | 0 | 0 | 0 | 111.2 | E26 G27 A28 L32 A33 N34 W67 | E26-Y30 HydrophobicContact CB-CD1 3.54Å; E26-Y30 HydrophobicContact CB-CE1 4.18Å; E26-Y30 HydrophobicContact CB-CG 3.79Å; E26-Y30 HydrophobicContact CG-CD1 4.19Å; E26-Y30 HydrophobicContact CG-CE1 4.41Å; E26-Y30 HydrophobicContact CG-CG 4.39Å; G27-Y30 VanDerWaalsContact O-CB 3.31Å; G27-Y30 WeakPolarHBondContact O-CB 3.41Å; G27-Y30 PolarHBondContact O-N 2.86Å; A28-Y30 VanDerWaalsContact C-N 3.3Å; A28-Y30 PolarHBondContact O-N 3.17Å; Y30-L32 PolarHBondContact O-N 2.77Å; Y30-A33 WeakPolarHBondContact O-CB 3.49Å; Y30-A33 PolarHBondContact O-N 3.25Å; Y30-N34 VanDerWaalsContact CE1-ND2 3.28Å; Y30-N34 WeakPolarHBondContact CE1-ND2 3.46Å; Y30-N34 VanDerWaalsContact CZ-ND2 3.28Å; Y30-N34 PolarHBondContact O-N 2.98Å; Y30-N34 VanDerWaalsContact O-N 3.08Å; Y30-N34 PolarHBondContact O-ND2 2.75Å; Y30-W67 AromaticContact CD2-CD2 3.87Å; Y30-W67 HydrophobicContact CD2-CD2 3.87Å; Y30-W67 AromaticContact CD2-CE2 3.78Å; Y30-W67 HydrophobicContact CD2-CE3 4.07Å; Y30-W67 HydrophobicContact CD2-CG 4.46Å; Y30-W67 HydrophobicContact CD2-CH2 4.11Å; Y30-W67 AromaticContact CD2-CZ2 3.92Å; Y30-W67 HydrophobicContact CD2-CZ2 3.92Å; Y30-W67 HydrophobicContact CD2-CZ3 4.16Å; Y30-W67 HydrophobicContact CE2-CH2 4.24Å; Y30-W67 HydrophobicContact CE2-CZ2 4.38Å; Y30-W67 HydrophobicContact CE2-CZ3 4.39Å |
| 31 | H | 92.4 | Very high | 85.6 | Confident | 91 Ų | 91 | 85.4 Ų | 85.4 | 42% | 0.421 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.6 | -41.1 | 177.7 | -69.3 | -62.6 | 0 | 0 | 0 | 111.9 | E26 G27 A28 A33 N34 C35 | E26-H31 PolarHBondContact O-CD2 3.08Å; E26-H31 PolarHBondContact O-NE2 3.23Å; G27-H31 PolarHBondContact O-N 3.39Å; A28-H31 PolarHBondContact O-N 3.25Å; H31-A33 PolarHBondContact O-N 3.33Å; H31-N34 PolarHBondContact O-N 3.01Å; H31-C35 PolarHBondContact O-N 2.97Å; H31-C35 PolarHBondContact O-SG 2.8Å |
| 32 | L | 93.1 | Very high | 86.7 | Confident | 92 Ų | 92 | 80.5 Ų | 80.5 | 48% | 0.482 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -60 | -45 | 174.3 | -179.7 | 62.1 | 0 | 0 | 0 | 111.7 | A28 Y30 N34 C35 L36 | A28-L32 WeakPolarHBondContact O-CB 3.45Å; A28-L32 PolarHBondContact O-N 3.48Å; Y30-L32 PolarHBondContact O-N 2.77Å; L32-N34 VanDerWaalsContact C-N 3.35Å; L32-N34 PolarHBondContact O-N 3.5Å; L32-C35 PolarHBondContact O-N 3.41Å; L32-L36 HydrophobicContact CD1-CD1 4.32Å; L32-L36 HydrophobicContact CD1-CG 4.29Å; L32-L36 HydrophobicContact CG-CD1 4.12Å; L32-L36 WeakPolarHBondContact O-CG 3.45Å; L32-L36 PolarHBondContact O-N 2.93Å |
| 33 | A | 93.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -57.2 | -48.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | V29 Y30 H31 C35 L36 L37 C63 | V29-A33 WeakPolarHBondContact O-CB 3.32Å; V29-A33 PolarHBondContact O-N 3.11Å; Y30-A33 WeakPolarHBondContact O-CB 3.49Å; Y30-A33 PolarHBondContact O-N 3.25Å; H31-A33 PolarHBondContact O-N 3.33Å; A33-C35 PolarHBondContact O-N 2.87Å; A33-L36 PolarHBondContact O-N 2.92Å; A33-L37 VanDerWaalsContact O-CG 3.28Å; A33-L37 WeakPolarHBondContact O-CG 3.34Å; A33-L37 PolarHBondContact O-N 3.39Å; A33-C63 HydrophobicContact CB-CB 3.56Å |
| 34 | N | 93.1 | Very high | 89 | Confident | 65 Ų | 65 | 69.7 Ų | 69.7 | 35% | 0.348 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.3 | -38.4 | 178.7 | -73.2 | -69.4 | 0 | 0 | 0 | 112.8 | Y30 H31 L32 L37 L38 | Y30-N34 VanDerWaalsContact CE1-ND2 3.28Å; Y30-N34 WeakPolarHBondContact CE1-ND2 3.46Å; Y30-N34 VanDerWaalsContact CZ-ND2 3.28Å; Y30-N34 PolarHBondContact O-N 2.98Å; Y30-N34 VanDerWaalsContact O-N 3.08Å; Y30-N34 PolarHBondContact O-ND2 2.75Å; H31-N34 PolarHBondContact O-N 3.01Å; L32-N34 VanDerWaalsContact C-N 3.35Å; L32-N34 PolarHBondContact O-N 3.5Å; N34-L37 PolarHBondContact O-N 2.64Å; N34-L38 WeakPolarHBondContact O-CB 3.43Å; N34-L38 PolarHBondContact O-N 2.94Å |
| 35 | C | 95.6 | Very high | 89.7 | Confident | 71 Ų | 71 | 69.8 Ų | 69.8 | 48% | 0.48 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.3 | -44.4 | 173.6 | -71.2 | 0 | 0 | 0 | 0 | 111.7 | H31 L32 A33 L38 L39 | H31-C35 PolarHBondContact O-N 2.97Å; H31-C35 PolarHBondContact O-SG 2.8Å; L32-C35 PolarHBondContact O-N 3.41Å; A33-C35 PolarHBondContact O-N 2.87Å; C35-L38 PolarHBondContact O-N 3.43Å; C35-L39 WeakPolarHBondContact O-CB 3.37Å; C35-L39 VanDerWaalsContact O-CG 3.29Å; C35-L39 WeakPolarHBondContact O-CG 2.87Å; C35-L39 PolarHBondContact O-N 2.8Å |
| 36 | L | 95.1 | Very high | 90.5 | Very high | 30 Ų | 30 | 66 Ų | 66 | 16% | 0.157 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -65.5 | -39.9 | 177.5 | -70 | 172.4 | 0 | 0 | 0 | 112 | L32 A33 L39 G40 F56 A59 | L32-L36 HydrophobicContact CD1-CD1 4.32Å; L32-L36 HydrophobicContact CD1-CG 4.29Å; L32-L36 HydrophobicContact CG-CD1 4.12Å; L32-L36 WeakPolarHBondContact O-CG 3.45Å; L32-L36 PolarHBondContact O-N 2.93Å; A33-L36 PolarHBondContact O-N 2.92Å; L36-L39 PolarHBondContact O-N 3.27Å; L36-G40 PolarHBondContact O-N 3.23Å; L36-F56 HydrophobicContact CD2-CD1 3.78Å; L36-F56 HydrophobicContact CD2-CE1 3.96Å; L36-A59 HydrophobicContact CD1-CB 4.19Å |
| 37 | L | 94.8 | Very high | 90.8 | Very high | 23 Ų | 23 | 67.1 Ų | 67.1 | 12% | 0.12 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -62.8 | -47.1 | 174.6 | -69.5 | 174.7 | 0 | 0 | 0 | 111.1 | A33 N34 L39 G40 F41 L57 Y61 | A33-L37 VanDerWaalsContact O-CG 3.28Å; A33-L37 WeakPolarHBondContact O-CG 3.34Å; A33-L37 PolarHBondContact O-N 3.39Å; N34-L37 PolarHBondContact O-N 2.64Å; L37-L39 VanDerWaalsContact C-N 3.34Å; L37-L39 PolarHBondContact O-N 2.93Å; L37-G40 PolarHBondContact O-N 3.43Å; L37-G40 VanDerWaalsContact O-N 3.15Å; L37-F41 WeakPolarHBondContact O-CD2 3.39Å; L37-F41 PolarHBondContact O-N 2.9Å; L37-L57 HydrophobicContact CD2-CD2 3.61Å; L37-Y61 HydrophobicContact CD1-CE1 4.44Å; L37-Y61 HydrophobicContact CD2-CD1 3.94Å; L37-Y61 HydrophobicContact CD2-CD2 4.36Å; L37-Y61 HydrophobicContact CD2-CE1 3.71Å; L37-Y61 HydrophobicContact CD2-CE2 4.15Å; L37-Y61 HydrophobicContact CD2-CG 4.24Å |
| 38 | L | 95.8 | Very high | 91 | Very high | 112 Ų | 112 | 74.4 Ų | 74.4 | 59% | 0.586 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -57.8 | -48.1 | 175.8 | -179.7 | 66.8 | 0 | 0 | 0 | 111 | N34 C35 G40 F41 M42 | N34-L38 WeakPolarHBondContact O-CB 3.43Å; N34-L38 PolarHBondContact O-N 2.94Å; C35-L38 PolarHBondContact O-N 3.43Å; L38-G40 VanDerWaalsContact C-N 3.29Å; L38-G40 PolarHBondContact O-N 3.4Å; L38-F41 PolarHBondContact O-N 2.96Å; L38-M42 HydrophobicContact CG-SD 4.49Å; L38-M42 WeakPolarHBondContact O-CG 3.45Å; L38-M42 PolarHBondContact O-N 3.33Å |
| 39 | L | 94.8 | Very high | 91.2 | Very high | 69 Ų | 69 | 70.8 Ų | 70.8 | 36% | 0.361 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -59 | -41 | 176.4 | -75.8 | 170.7 | 0 | 0 | 0 | 111.5 | C35 L36 L37 M42 Y52 F56 | C35-L39 WeakPolarHBondContact O-CB 3.37Å; C35-L39 VanDerWaalsContact O-CG 3.29Å; C35-L39 WeakPolarHBondContact O-CG 2.87Å; C35-L39 PolarHBondContact O-N 2.8Å; L36-L39 PolarHBondContact O-N 3.27Å; L37-L39 VanDerWaalsContact C-N 3.34Å; L37-L39 PolarHBondContact O-N 2.93Å; L39-M42 WeakPolarHBondContact O-CB 3.03Å; L39-M42 PolarHBondContact O-N 3.5Å; L39-M42 VanDerWaalsContact O-N 3.16Å; L39-Y52 WeakPolarHBondContact O-CE1 3.34Å; L39-Y52 PolarHBondContact O-OH 3.4Å; L39-F56 HydrophobicContact CB-CD1 3.97Å; L39-F56 HydrophobicContact CB-CE1 4.28Å; L39-F56 HydrophobicContact CB-CG 4.41Å; L39-F56 HydrophobicContact CD1-CD1 4.43Å; L39-F56 HydrophobicContact CD1-CE1 4.09Å |
| 40 | G | 93.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -59 | -47 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L36 L37 L38 M42 G43 F53 F56 | L36-G40 PolarHBondContact O-N 3.23Å; L37-G40 PolarHBondContact O-N 3.43Å; L37-G40 VanDerWaalsContact O-N 3.15Å; L38-G40 VanDerWaalsContact C-N 3.29Å; L38-G40 PolarHBondContact O-N 3.4Å; G40-M42 PolarHBondContact O-N 3.35Å; G40-G43 PolarHBondContact O-N 3.22Å; G40-F53 VanDerWaalsContact O-CD2 3.24Å; G40-F53 WeakPolarHBondContact O-CD2 2.89Å; G40-F56 VanDerWaalsContact CA-CB 3.48Å |
| 41 | F | 92.4 | Very high | 91.6 | Very high | 128 Ų | 128 | 68.5 Ų | 68.5 | 56% | 0.561 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -67.3 | -16.1 | 177.5 | -69.8 | -64 | 0 | 0 | 0 | 114.2 | L37 L38 G43 F53 L57 | L37-F41 WeakPolarHBondContact O-CD2 3.39Å; L37-F41 PolarHBondContact O-N 2.9Å; L38-F41 PolarHBondContact O-N 2.96Å; F41-G43 PolarHBondContact O-N 3.49Å; F41-F53 AromaticContact CD1-CE2 3.82Å; F41-F53 HydrophobicContact CD1-CE2 3.82Å; F41-F53 HydrophobicContact CE1-CE2 4.1Å; F41-F53 HydrophobicContact CE1-CZ 4.38Å; F41-L57 HydrophobicContact CD2-CD2 4.37Å; F41-L57 HydrophobicContact CE1-CD2 4.35Å; F41-L57 HydrophobicContact CE2-CD2 3.92Å; F41-L57 HydrophobicContact CZ-CD2 3.9Å |
| 42 | M | 93.4 | Very high | 91.6 | Very high | 135 Ų | 135 | 68.2 Ų | 68.2 | 67% | 0.665 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | 6.4 | 172 | -66 | 178.2 | 69 | 0 | 0 | 113.5 | L38 L39 G40 | L38-M42 HydrophobicContact CG-SD 4.49Å; L38-M42 WeakPolarHBondContact O-CG 3.45Å; L38-M42 PolarHBondContact O-N 3.33Å; L39-M42 WeakPolarHBondContact O-CB 3.03Å; L39-M42 PolarHBondContact O-N 3.5Å; L39-M42 VanDerWaalsContact O-N 3.16Å; G40-M42 PolarHBondContact O-N 3.35Å |
| 43 | G | 89.1 | Confident | 91.7 | Very high | 25 Ų | 25 | 66.9 Ų | 66.9 | 26% | 0.258 | 38% | 0.378 | S | S | . | . | trans | -58.5 | 135.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | G40 F41 Y52 | G40-G43 PolarHBondContact O-N 3.22Å; F41-G43 PolarHBondContact O-N 3.49Å; G43-Y52 VanDerWaalsContact CA-CD1 3.47Å | ||
| 44 | G | 84.1 | Confident | 91.8 | Very high | 58 Ų | 58 | 68.7 Ų | 68.7 | 60% | 0.598 | 39% | 0.386 | S | S | * | . | trans | -74.8 | -178.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | G49 | G44-G49 WeakPolarHBondContact O-CA 3.19Š| ||
| 45 | S | 84.7 | Confident | 91.9 | Very high | 126 Ų | 126 | 66.9 Ų | 66.9 | 88% | 0.881 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -82.8 | 154.9 | 175.2 | 58.7 | 0 | 0 | 0 | 0 | 112.6 | ||
| 46 | G | 86.3 | Confident | 91.9 | Very high | 48 Ų | 48 | 66.4 Ų | 66.4 | 50% | 0.495 | 37% | 0.373 | S | S | . | . | S | Bend | trans | 100.8 | 176.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y48 G49 C50 | G46-Y48 PolarHBondContact O-N 2.95Å; G46-G49 WeakPolarHBondContact O-CA 3.36Å; G46-G49 PolarHBondContact O-N 2.83Å; G46-G49 VanDerWaalsContact O-N 3.09Å; G46-C50 PolarHBondContact O-N 2.97Å; G46-C50 PolarHBondContact O-SG 2.83Å; G46-C50 VanDerWaalsContact O-SG 3.42Å |
| 47 | V | 86.2 | Confident | 91.9 | Very high | 73 Ų | 73 | 65.3 Ų | 65.3 | 44% | 0.442 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.5 | -44.3 | -174.5 | -68.2 | 0 | 0 | 0 | 0 | 112.6 | G49 C50 F51 | V47-G49 VanDerWaalsContact C-N 3.31Å; V47-G49 PolarHBondContact O-N 2.82Å; V47-C50 WeakPolarHBondContact O-CB 3.03Å; V47-C50 PolarHBondContact O-N 2.9Å; V47-F51 WeakPolarHBondContact O-CD2 3.25Å; V47-F51 PolarHBondContact O-N 2.81Å; V47-F51 VanDerWaalsContact O-N 3.1Å |
| 48 | Y | 87.4 | Confident | 91.9 | Very high | 188 Ų | 188 | 64.5 Ų | 64.5 | 74% | 0.737 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -65.5 | -34.3 | 176.1 | -61.7 | -73.1 | 0 | 0 | 0 | 112.4 | G46 F51 Y52 | G46-Y48 PolarHBondContact O-N 2.95Å; Y48-F51 PolarHBondContact O-N 3.46Å; Y48-Y52 WeakPolarHBondContact O-CB 2.97Å; Y48-Y52 PolarHBondContact O-N 2.9Å |
| 49 | G | 92.1 | Very high | 91.9 | Very high | 10 Ų | 10 | 61 Ų | 61 | 10% | 0.103 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.9 | -40.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | G44 G46 V47 Y52 F53 | G44-G49 WeakPolarHBondContact O-CA 3.19Å; G46-G49 WeakPolarHBondContact O-CA 3.36Å; G46-G49 PolarHBondContact O-N 2.83Å; G46-G49 VanDerWaalsContact O-N 3.09Å; V47-G49 VanDerWaalsContact C-N 3.31Å; V47-G49 PolarHBondContact O-N 2.82Å; G49-Y52 PolarHBondContact O-N 2.99Å; G49-F53 WeakPolarHBondContact O-CB 3.34Å; G49-F53 PolarHBondContact O-N 2.99Å |
| 50 | C | 91.6 | Very high | 91.9 | Very high | 51 Ų | 51 | 57.7 Ų | 57.7 | 35% | 0.345 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.8 | -42.4 | 174.5 | -65.2 | 0 | 0 | 0 | 0 | 112.4 | G46 V47 Y52 F53 F54 L95 | G46-C50 PolarHBondContact O-N 2.97Å; G46-C50 PolarHBondContact O-SG 2.83Å; G46-C50 VanDerWaalsContact O-SG 3.42Å; V47-C50 WeakPolarHBondContact O-CB 3.03Å; V47-C50 PolarHBondContact O-N 2.9Å; C50-Y52 VanDerWaalsContact C-N 3.33Å; C50-Y52 PolarHBondContact O-N 3.43Å; C50-F53 PolarHBondContact O-N 2.69Å; C50-F54 HydrophobicContact CB-CD2 4.49Å; C50-F54 WeakPolarHBondContact O-CD2 3.46Å; C50-F54 PolarHBondContact O-N 3.36Å; C50-L95 HydrophobicContact CB-CD2 3.47Å; C50-L95 VanDerWaalsContact CB-CD2 3.47Å |
| 51 | F | 93.4 | Very high | 92 | Very high | 44 Ų | 44 | 59.5 Ų | 59.5 | 19% | 0.193 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.3 | -45.3 | 173.7 | -78.4 | -68.9 | 0 | 0 | 0 | 111.8 | V47 Y48 G55 L92 L95 V96 L99 | V47-F51 WeakPolarHBondContact O-CD2 3.25Å; V47-F51 PolarHBondContact O-N 2.81Å; V47-F51 VanDerWaalsContact O-N 3.1Å; Y48-F51 PolarHBondContact O-N 3.46Å; F51-G55 PolarHBondContact O-N 3.34Å; F51-L92 HydrophobicContact CD1-CD1 3.59Å; F51-L92 HydrophobicContact CE1-CD1 4.31Å; F51-L95 HydrophobicContact CB-CD2 4.49Å; F51-L95 HydrophobicContact CD1-CD2 3.82Å; F51-L95 HydrophobicContact CD1-CG 4.4Å; F51-L95 HydrophobicContact CD2-CD2 3.63Å; F51-L95 HydrophobicContact CD2-CG 4.28Å; F51-L95 HydrophobicContact CE1-CB 3.99Å; F51-L95 HydrophobicContact CE1-CD2 3.77Å; F51-L95 HydrophobicContact CE1-CG 3.83Å; F51-L95 HydrophobicContact CE2-CD2 3.61Å; F51-L95 HydrophobicContact CE2-CG 3.72Å; F51-L95 HydrophobicContact CG-CD2 3.72Å; F51-L95 HydrophobicContact CZ-CB 4.04Å; F51-L95 HydrophobicContact CZ-CD2 3.68Å; F51-L95 HydrophobicContact CZ-CG 3.48Å; F51-L95 VanDerWaalsContact CZ-CG 3.48Å; F51-V96 HydrophobicContact CD1-CG2 4.48Å; F51-V96 HydrophobicContact CE1-CB 4.37Å; F51-V96 HydrophobicContact CE1-CG2 3.54Å; F51-V96 HydrophobicContact CZ-CG2 4.27Å; F51-L99 HydrophobicContact CE2-CD2 3.91Å; F51-L99 HydrophobicContact CZ-CB 4.42Å; F51-L99 HydrophobicContact CZ-CD2 4.06Å |
| 52 | Y | 94.2 | Very high | 92.1 | Very high | 85 Ų | 85 | 57.2 Ų | 57.2 | 33% | 0.333 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.7 | -50.7 | 176.6 | 177.8 | -84.3 | 0 | 0 | 0 | 111.1 | L39 G43 Y48 G49 C50 G55 F56 | L39-Y52 WeakPolarHBondContact O-CE1 3.34Å; L39-Y52 PolarHBondContact O-OH 3.4Å; G43-Y52 VanDerWaalsContact CA-CD1 3.47Å; Y48-Y52 WeakPolarHBondContact O-CB 2.97Å; Y48-Y52 PolarHBondContact O-N 2.9Å; G49-Y52 PolarHBondContact O-N 2.99Å; C50-Y52 VanDerWaalsContact C-N 3.33Å; C50-Y52 PolarHBondContact O-N 3.43Å; Y52-G55 PolarHBondContact O-N 3.19Å; Y52-F56 HydrophobicContact CD1-CD2 4.12Å; Y52-F56 AromaticContact CD2-CD2 3.7Å; Y52-F56 HydrophobicContact CD2-CD2 3.7Å; Y52-F56 AromaticContact CD2-CE2 3.45Å; Y52-F56 HydrophobicContact CD2-CE2 3.45Å; Y52-F56 VanDerWaalsContact CD2-CE2 3.45Å; Y52-F56 HydrophobicContact CE1-CD2 4Å; Y52-F56 HydrophobicContact CE1-CE2 4.39Å; Y52-F56 AromaticContact CE2-CD2 3.55Å; Y52-F56 HydrophobicContact CE2-CD2 3.55Å; Y52-F56 AromaticContact CE2-CE2 3.12Å; Y52-F56 HydrophobicContact CE2-CE2 3.12Å; Y52-F56 AromaticContact CE2-CZ 3.99Å; Y52-F56 HydrophobicContact CE2-CZ 3.99Å; Y52-F56 AromaticContact CG-CD2 3.97Å; Y52-F56 HydrophobicContact CG-CD2 3.97Å; Y52-F56 HydrophobicContact CG-CE2 4.2Å; Y52-F56 AromaticContact CZ-CD2 3.68Å; Y52-F56 AromaticContact CZ-CE2 3.64Å; Y52-F56 WeakPolarHBondContact O-CD2 3.45Å; Y52-F56 PolarHBondContact O-N 2.87Å |
| 53 | F | 94.7 | Very high | 92.2 | Very high | 64 Ų | 64 | 51.8 Ų | 51.8 | 28% | 0.281 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -56.6 | -55.8 | 179.3 | 176.5 | -97.7 | 0 | 0 | 0 | 112.2 | G40 F41 G49 C50 G55 L57 | G40-F53 VanDerWaalsContact O-CD2 3.24Å; G40-F53 WeakPolarHBondContact O-CD2 2.89Å; F41-F53 AromaticContact CD1-CE2 3.82Å; F41-F53 HydrophobicContact CD1-CE2 3.82Å; F41-F53 HydrophobicContact CE1-CE2 4.1Å; F41-F53 HydrophobicContact CE1-CZ 4.38Å; G49-F53 WeakPolarHBondContact O-CB 3.34Å; G49-F53 PolarHBondContact O-N 2.99Å; C50-F53 PolarHBondContact O-N 2.69Å; F53-G55 PolarHBondContact O-N 3.23Å; F53-L57 HydrophobicContact CD1-CD1 3.89Å; F53-L57 HydrophobicContact CD2-CD1 4.1Å; F53-L57 HydrophobicContact CE1-CD1 3.39Å; F53-L57 HydrophobicContact CE2-CD1 3.61Å; F53-L57 HydrophobicContact CE2-CG 4.44Å; F53-L57 HydrophobicContact CG-CD1 4.23Å; F53-L57 HydrophobicContact CZ-CD1 3.24Å; F53-L57 HydrophobicContact CZ-CG 4.46Å; F53-L57 WeakPolarHBondContact O-CB 3.29Å; F53-L57 VanDerWaalsContact O-CG 3.29Å; F53-L57 WeakPolarHBondContact O-CG 3.29Å; F53-L57 PolarHBondContact O-N 2.96Å |
| 54 | F | 94.9 | Very high | 92.3 | Very high | 37 Ų | 37 | 51.5 Ų | 51.5 | 16% | 0.162 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -70.4 | -31.9 | -177.9 | -70.1 | -61.5 | 0 | 0 | 0 | 113 | C50 S58 C88 Q91 L92 | C50-F54 HydrophobicContact CB-CD2 4.49Å; C50-F54 WeakPolarHBondContact O-CD2 3.46Å; C50-F54 PolarHBondContact O-N 3.36Å; F54-S58 WeakPolarHBondContact O-CB 3.3Å; F54-S58 PolarHBondContact O-N 3.08Å; F54-C88 HydrophobicContact CD1-CB 4.42Å; F54-Q91 HydrophobicContact CD1-CB 3.73Å; F54-Q91 HydrophobicContact CD1-CG 4.34Å; F54-Q91 HydrophobicContact CD2-CB 4.06Å; F54-Q91 HydrophobicContact CE1-CB 3.61Å; F54-Q91 HydrophobicContact CE1-CG 3.82Å; F54-Q91 HydrophobicContact CE2-CB 3.97Å; F54-Q91 HydrophobicContact CG-CB 3.96Å; F54-Q91 HydrophobicContact CZ-CB 3.75Å; F54-Q91 HydrophobicContact CZ-CG 4.01Å; F54-L92 HydrophobicContact CB-CB 4.16Å; F54-L92 HydrophobicContact CB-CD1 4.13Å |
| 55 | G | 94.8 | Very high | 92.7 | Very high | 27 Ų | 27 | 50 Ų | 50 | 28% | 0.278 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.4 | -52.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F51 Y52 F53 S58 A59 | F51-G55 PolarHBondContact O-N 3.34Å; Y52-G55 PolarHBondContact O-N 3.19Å; F53-G55 PolarHBondContact O-N 3.23Å; G55-S58 PolarHBondContact O-N 3.04Å; G55-A59 PolarHBondContact O-N 2.98Å |
| 56 | F | 95.8 | Very high | 93 | Very high | 62 Ų | 62 | 48.1 Ų | 48.1 | 27% | 0.272 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -67.9 | -38.6 | 179.3 | -85.4 | -79.9 | 0 | 0 | 0 | 112.8 | L36 L39 G40 Y52 A59 G60 | L36-F56 HydrophobicContact CD2-CD1 3.78Å; L36-F56 HydrophobicContact CD2-CE1 3.96Å; L39-F56 HydrophobicContact CB-CD1 3.97Å; L39-F56 HydrophobicContact CB-CE1 4.28Å; L39-F56 HydrophobicContact CB-CG 4.41Å; L39-F56 HydrophobicContact CD1-CD1 4.43Å; L39-F56 HydrophobicContact CD1-CE1 4.09Å; G40-F56 VanDerWaalsContact CA-CB 3.48Å; Y52-F56 HydrophobicContact CD1-CD2 4.12Å; Y52-F56 AromaticContact CD2-CD2 3.7Å; Y52-F56 HydrophobicContact CD2-CD2 3.7Å; Y52-F56 AromaticContact CD2-CE2 3.45Å; Y52-F56 HydrophobicContact CD2-CE2 3.45Å; Y52-F56 VanDerWaalsContact CD2-CE2 3.45Å; Y52-F56 HydrophobicContact CE1-CD2 4Å; Y52-F56 HydrophobicContact CE1-CE2 4.39Å; Y52-F56 AromaticContact CE2-CD2 3.55Å; Y52-F56 HydrophobicContact CE2-CD2 3.55Å; Y52-F56 AromaticContact CE2-CE2 3.12Å; Y52-F56 HydrophobicContact CE2-CE2 3.12Å; Y52-F56 AromaticContact CE2-CZ 3.99Å; Y52-F56 HydrophobicContact CE2-CZ 3.99Å; Y52-F56 AromaticContact CG-CD2 3.97Å; Y52-F56 HydrophobicContact CG-CD2 3.97Å; Y52-F56 HydrophobicContact CG-CE2 4.2Å; Y52-F56 AromaticContact CZ-CD2 3.68Å; Y52-F56 AromaticContact CZ-CE2 3.64Å; Y52-F56 WeakPolarHBondContact O-CD2 3.45Å; Y52-F56 PolarHBondContact O-N 2.87Å; F56-A59 PolarHBondContact O-N 3.29Å; F56-G60 PolarHBondContact O-N 2.97Å |
| 57 | L | 95.2 | Very high | 93.2 | Very high | 6 Ų | 6 | 47.1 Ų | 47.1 | 3% | 0.031 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.2 | -43.3 | 174 | -75.6 | -177.6 | 0 | 0 | 0 | 112.1 | L37 F41 F53 A59 G60 Y61 | L37-L57 HydrophobicContact CD2-CD2 3.61Å; F41-L57 HydrophobicContact CD2-CD2 4.37Å; F41-L57 HydrophobicContact CE1-CD2 4.35Å; F41-L57 HydrophobicContact CE2-CD2 3.92Å; F41-L57 HydrophobicContact CZ-CD2 3.9Å; F53-L57 HydrophobicContact CD1-CD1 3.89Å; F53-L57 HydrophobicContact CD2-CD1 4.1Å; F53-L57 HydrophobicContact CE1-CD1 3.39Å; F53-L57 HydrophobicContact CE2-CD1 3.61Å; F53-L57 HydrophobicContact CE2-CG 4.44Å; F53-L57 HydrophobicContact CG-CD1 4.23Å; F53-L57 HydrophobicContact CZ-CD1 3.24Å; F53-L57 HydrophobicContact CZ-CG 4.46Å; F53-L57 WeakPolarHBondContact O-CB 3.29Å; F53-L57 VanDerWaalsContact O-CG 3.29Å; F53-L57 WeakPolarHBondContact O-CG 3.29Å; F53-L57 PolarHBondContact O-N 2.96Å; L57-A59 PolarHBondContact O-N 3.36Å; L57-G60 PolarHBondContact O-N 2.8Å; L57-Y61 HydrophobicContact CB-CD2 4.27Å; L57-Y61 HydrophobicContact CB-CE2 3.97Å; L57-Y61 HydrophobicContact CD2-CE2 4.16Å; L57-Y61 HydrophobicContact CG-CE2 4.48Å; L57-Y61 WeakPolarHBondContact O-CD2 3.43Å; L57-Y61 PolarHBondContact O-N 3.45Å |
| 58 | S | 95.4 | Very high | 93.3 | Very high | 6 Ų | 6 | 43.6 Ų | 43.6 | 4% | 0.042 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.6 | -48.5 | 175.7 | 178.9 | 0 | 0 | 0 | 0 | 111.3 | F54 G55 G60 Y61 L62 L89 | F54-S58 WeakPolarHBondContact O-CB 3.3Å; F54-S58 PolarHBondContact O-N 3.08Å; G55-S58 PolarHBondContact O-N 3.04Å; S58-G60 PolarHBondContact O-N 2.76Å; S58-Y61 PolarHBondContact O-N 2.91Å; S58-L62 WeakPolarHBondContact O-CB 3.43Å; S58-L62 VanDerWaalsContact O-CG 3.26Å; S58-L62 WeakPolarHBondContact O-CG 3.48Å; S58-L62 PolarHBondContact O-N 3.32Å; S58-L89 WeakPolarHBondContact OG-CD2 3.33Å; S58-L89 VanDerWaalsContact OG-CG 3.26Å; S58-L89 WeakPolarHBondContact OG-CG 3.37Å |
| 59 | A | 95.6 | Very high | 93.2 | Very high | 39 Ų | 39 | 43.2 Ų | 43.2 | 32% | 0.322 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61.2 | -43.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L36 G55 F56 L57 L62 C63 | L36-A59 HydrophobicContact CD1-CB 4.19Å; G55-A59 PolarHBondContact O-N 2.98Å; F56-A59 PolarHBondContact O-N 3.29Å; L57-A59 PolarHBondContact O-N 3.36Å; A59-L62 PolarHBondContact O-N 2.78Å; A59-C63 PolarHBondContact O-N 2.89Å; A59-C63 PolarHBondContact O-SG 3.41Å; A59-C63 VanDerWaalsContact O-SG 3.38Å |
| 60 | G | 95.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.2 | -47.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | F56 L57 S58 L62 C63 C64 | F56-G60 PolarHBondContact O-N 2.97Å; L57-G60 PolarHBondContact O-N 2.8Å; S58-G60 PolarHBondContact O-N 2.76Å; G60-L62 PolarHBondContact O-N 3.43Å; G60-C63 WeakPolarHBondContact O-CB 3.49Å; G60-C63 PolarHBondContact O-N 3.01Å; G60-C64 PolarHBondContact O-N 3.31Å; G60-C64 PolarHBondContact O-SG 2.9Å |
| 61 | Y | 95.5 | Very high | 92.2 | Very high | 38 Ų | 38 | 50.7 Ų | 50.7 | 15% | 0.149 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.8 | -33 | 177.4 | -67.3 | -53.3 | 0 | 0 | 0 | 112.8 | L37 L57 S58 C63 C64 V65 L84 | L37-Y61 HydrophobicContact CD1-CE1 4.44Å; L37-Y61 HydrophobicContact CD2-CD1 3.94Å; L37-Y61 HydrophobicContact CD2-CD2 4.36Å; L37-Y61 HydrophobicContact CD2-CE1 3.71Å; L37-Y61 HydrophobicContact CD2-CE2 4.15Å; L37-Y61 HydrophobicContact CD2-CG 4.24Å; L57-Y61 HydrophobicContact CB-CD2 4.27Å; L57-Y61 HydrophobicContact CB-CE2 3.97Å; L57-Y61 HydrophobicContact CD2-CE2 4.16Å; L57-Y61 HydrophobicContact CG-CE2 4.48Å; L57-Y61 WeakPolarHBondContact O-CD2 3.43Å; L57-Y61 PolarHBondContact O-N 3.45Å; S58-Y61 PolarHBondContact O-N 2.91Å; Y61-C63 VanDerWaalsContact C-N 3.35Å; Y61-C64 WeakPolarHBondContact O-CB 3.43Å; Y61-C64 PolarHBondContact O-N 3.15Å; Y61-V65 WeakPolarHBondContact O-CG2 3.37Å; Y61-V65 PolarHBondContact O-N 3.49Å; Y61-L84 HydrophobicContact CD1-CB 4.03Å; Y61-L84 HydrophobicContact CD1-CD1 4.18Å; Y61-L84 HydrophobicContact CD2-CB 3.81Å; Y61-L84 HydrophobicContact CE1-CB 4.11Å; Y61-L84 HydrophobicContact CE1-CD1 3.69Å; Y61-L84 HydrophobicContact CE2-CB 3.89Å; Y61-L84 HydrophobicContact CG-CB 3.9Å |
| 62 | L | 94.6 | Very high | 91.3 | Very high | 79 Ų | 79 | 50.2 Ų | 50.2 | 41% | 0.414 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.5 | -41.8 | 170.6 | -73.1 | 171.4 | 0 | 0 | 0 | 111.5 | S58 A59 G60 C64 V65 L66 A85 | S58-L62 WeakPolarHBondContact O-CB 3.43Å; S58-L62 VanDerWaalsContact O-CG 3.26Å; S58-L62 WeakPolarHBondContact O-CG 3.48Å; S58-L62 PolarHBondContact O-N 3.32Å; A59-L62 PolarHBondContact O-N 2.78Å; G60-L62 PolarHBondContact O-N 3.43Å; L62-C64 VanDerWaalsContact C-N 3.34Å; L62-C64 PolarHBondContact O-N 3.03Å; L62-V65 WeakPolarHBondContact O-CB 3.4Å; L62-V65 PolarHBondContact O-N 2.92Å; L62-L66 WeakPolarHBondContact O-CG 3.49Å; L62-L66 PolarHBondContact O-N 2.71Å; L62-A85 HydrophobicContact CD2-CB 4.22Å; L62-A85 HydrophobicContact CG-CB 4.3Å |
| 63 | C | 94.1 | Very high | 90.4 | Very high | 21 Ų | 21 | 51.6 Ų | 51.6 | 14% | 0.142 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.6 | -37.6 | 172.5 | -67.1 | 0 | 0 | 0 | 0 | 112.2 | V29 A33 A59 G60 Y61 L66 W67 | V29-C63 HydrophobicContact CG1-CB 4.32Å; V29-C63 WeakPolarHBondContact CG1-O 3.45Å; A33-C63 HydrophobicContact CB-CB 3.56Å; A59-C63 PolarHBondContact O-N 2.89Å; A59-C63 PolarHBondContact O-SG 3.41Å; A59-C63 VanDerWaalsContact O-SG 3.38Å; G60-C63 WeakPolarHBondContact O-CB 3.49Å; G60-C63 PolarHBondContact O-N 3.01Å; Y61-C63 VanDerWaalsContact C-N 3.35Å; C63-L66 PolarHBondContact O-N 3.05Å; C63-W67 PolarHBondContact O-N 2.92Å |
| 64 | C | 91.6 | Very high | 89.7 | Confident | 19 Ų | 19 | 49.5 Ų | 49.5 | 13% | 0.128 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.4 | -41.2 | 172.7 | -68.7 | 0 | 0 | 0 | 0 | 112.5 | G60 Y61 L62 W67 G68 S81 | G60-C64 PolarHBondContact O-N 3.31Å; G60-C64 PolarHBondContact O-SG 2.9Å; Y61-C64 WeakPolarHBondContact O-CB 3.43Å; Y61-C64 PolarHBondContact O-N 3.15Å; L62-C64 VanDerWaalsContact C-N 3.34Å; L62-C64 PolarHBondContact O-N 3.03Å; C64-W67 PolarHBondContact O-N 2.51Å; C64-G68 PolarHBondContact O-N 3.17Å; C64-S81 WeakPolarHBondContact CB-OG 3.07Å |
| 65 | V | 93.2 | Very high | 89.1 | Confident | 26 Ų | 26 | 54.4 Ų | 54.4 | 16% | 0.158 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.5 | -47.4 | 174.3 | 168.7 | 0 | 0 | 0 | 0 | 110.7 | Y61 L62 G68 W69 V78 F82 | Y61-V65 WeakPolarHBondContact O-CG2 3.37Å; Y61-V65 PolarHBondContact O-N 3.49Å; L62-V65 WeakPolarHBondContact O-CB 3.4Å; L62-V65 PolarHBondContact O-N 2.92Å; V65-G68 PolarHBondContact O-N 2.73Å; V65-W69 WeakPolarHBondContact O-CB 3.19Å; V65-W69 PolarHBondContact O-N 3.41Å; V65-V78 HydrophobicContact CG1-CG1 4.33Å; V65-F82 HydrophobicContact CG2-CB 3.91Å; V65-F82 VanDerWaalsContact CG2-N 3.32Å |
| 66 | L | 90.8 | Very high | 88.7 | Confident | 87 Ų | 87 | 58 Ų | 58 | 46% | 0.455 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62 | -46.6 | 179.1 | -68.5 | 171.1 | 0 | 0 | 0 | 111.7 | V29 L62 C63 W69 F70 | V29-L66 HydrophobicContact CG1-CB 4.38Å; L62-L66 WeakPolarHBondContact O-CG 3.49Å; L62-L66 PolarHBondContact O-N 2.71Å; C63-L66 PolarHBondContact O-N 3.05Å; L66-W69 PolarHBondContact O-N 2.9Å; L66-F70 HydrophobicContact CB-CD2 4.5Å; L66-F70 HydrophobicContact CD2-CD2 4.48Å; L66-F70 HydrophobicContact CD2-CE2 3.93Å; L66-F70 WeakPolarHBondContact O-CD2 3.44Å; L66-F70 PolarHBondContact O-N 3.39Å |
| 67 | W | 91.4 | Very high | 88.2 | Confident | 27 Ų | 27 | 58.3 Ų | 58.3 | 10% | 0.102 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 175.6 | 170.8 | 79.1 | 0 | 0 | 0 | 112.1 | E26 V29 Y30 C63 C64 W69 S71 A72 I77 | E26-W67 HydrophobicContact CG-CZ2 4.35Å; E26-W67 VanDerWaalsContact OE2-CZ2 3.24Å; E26-W67 WeakPolarHBondContact OE2-CZ2 3.19Å; E26-W67 PolarHBondContact OE2-NE1 3.47Å; V29-W67 HydrophobicContact CB-CB 4.34Å; V29-W67 HydrophobicContact CG1-CB 4.01Å; Y30-W67 AromaticContact CD2-CD2 3.87Å; Y30-W67 HydrophobicContact CD2-CD2 3.87Å; Y30-W67 AromaticContact CD2-CE2 3.78Å; Y30-W67 HydrophobicContact CD2-CE3 4.07Å; Y30-W67 HydrophobicContact CD2-CG 4.46Å; Y30-W67 HydrophobicContact CD2-CH2 4.11Å; Y30-W67 AromaticContact CD2-CZ2 3.92Å; Y30-W67 HydrophobicContact CD2-CZ2 3.92Å; Y30-W67 HydrophobicContact CD2-CZ3 4.16Å; Y30-W67 HydrophobicContact CE2-CH2 4.24Å; Y30-W67 HydrophobicContact CE2-CZ2 4.38Å; Y30-W67 HydrophobicContact CE2-CZ3 4.39Å; C63-W67 PolarHBondContact O-N 2.92Å; C64-W67 PolarHBondContact O-N 2.51Å; W67-W69 VanDerWaalsContact C-N 3.28Å; W67-W69 PolarHBondContact O-N 2.82Å; W67-S71 WeakPolarHBondContact O-CA 3.31Å; W67-S71 WeakPolarHBondContact O-CB 3.41Å; W67-S71 PolarHBondContact O-N 2.8Å; W67-A72 HydrophobicContact CD2-CB 4.44Å; W67-A72 HydrophobicContact CE3-CB 4.31Å; W67-A72 HydrophobicContact CH2-CB 3.79Å; W67-A72 HydrophobicContact CZ2-CB 3.9Å; W67-A72 HydrophobicContact CZ3-CB 4.01Å; W67-A72 PolarHBondContact O-N 3.24Å; W67-A72 VanDerWaalsContact O-N 3.14Å; W67-I77 HydrophobicContact CE3-CG2 4.42Å; W67-I77 HydrophobicContact CH2-CD1 4.46Å; W67-I77 HydrophobicContact CZ3-CD1 4.23Å; W67-I77 HydrophobicContact CZ3-CG2 3.96Å |
| 68 | G | 87.1 | Confident | 88 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 32% | 0.321 | C | S | . | . | I | π-helix | trans | -60 | -38.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | C64 V65 C73 | C64-G68 PolarHBondContact O-N 3.17Å; V65-G68 PolarHBondContact O-N 2.73Å; G68-C73 PolarHBondContact O-N 2.96Å |
| 69 | W | 85.8 | Confident | 87.9 | Confident | 179 Ų | 179 | 62.8 Ų | 62.8 | 68% | 0.678 | 34% | 0.34 | S | S | * | . | I | π-helix | trans | -75.4 | -46.9 | -179.7 | -170.4 | -94.9 | 0 | 0 | 0 | 113 | V65 L66 W67 V78 | V65-W69 WeakPolarHBondContact O-CB 3.19Å; V65-W69 PolarHBondContact O-N 3.41Å; L66-W69 PolarHBondContact O-N 2.9Å; W67-W69 VanDerWaalsContact C-N 3.28Å; W67-W69 PolarHBondContact O-N 2.82Å; W69-V78 HydrophobicContact CB-CG2 4.44Å; W69-V78 HydrophobicContact CE3-CG1 4.21Å |
| 70 | F | 84 | Confident | 87.8 | Confident | 151 Ų | 151 | 68 Ų | 68 | 66% | 0.662 | 35% | 0.352 | S | S | * | . | I | π-helix | trans | -90.3 | -25.9 | -172.7 | -70.5 | -66 | 0 | 0 | 0 | 114.7 | L66 | L66-F70 HydrophobicContact CB-CD2 4.5Å; L66-F70 HydrophobicContact CD2-CD2 4.48Å; L66-F70 HydrophobicContact CD2-CE2 3.93Å; L66-F70 WeakPolarHBondContact O-CD2 3.44Å; L66-F70 PolarHBondContact O-N 3.39Å |
| 71 | S | 78.5 | Confident | 87.6 | Confident | 67 Ų | 67 | 68.6 Ų | 68.6 | 47% | 0.469 | 36% | 0.356 | S | S | . | . | I | π-helix | trans | -121.9 | -45.1 | -169.9 | -56 | 0 | 0 | 0 | 0 | 113.6 | W67 | W67-S71 WeakPolarHBondContact O-CA 3.31Å; W67-S71 WeakPolarHBondContact O-CB 3.41Å; W67-S71 PolarHBondContact O-N 2.8Å |
| 72 | A | 74.4 | Confident | 87.6 | Confident | 34 Ų | 34 | 72 Ų | 72 | 28% | 0.281 | 37% | 0.372 | S | S | . | . | I | π-helix | trans | -86.1 | -21.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | W67 G74 I77 | W67-A72 HydrophobicContact CD2-CB 4.44Å; W67-A72 HydrophobicContact CE3-CB 4.31Å; W67-A72 HydrophobicContact CH2-CB 3.79Å; W67-A72 HydrophobicContact CZ2-CB 3.9Å; W67-A72 HydrophobicContact CZ3-CB 4.01Å; W67-A72 PolarHBondContact O-N 3.24Å; W67-A72 VanDerWaalsContact O-N 3.14Å; A72-G74 PolarHBondContact O-N 2.96Å; A72-I77 HydrophobicContact CB-CD1 4.47Å |
| 73 | C | 74.5 | Confident | 87.7 | Confident | 115 Ų | 115 | 72.3 Ų | 72.3 | 78% | 0.777 | 37% | 0.374 | S | S | * | . | trans | 47.5 | 32.4 | -173.7 | -72.1 | 0 | 0 | 0 | 0 | 113.4 | G68 | G68-C73 PolarHBondContact O-N 2.96Š| ||
| 74 | G | 80.2 | Confident | 87.7 | Confident | 20 Ų | 20 | 74.8 Ų | 74.8 | 21% | 0.206 | 39% | 0.385 | C | S | . | . | trans | -103.9 | 102.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | A72 D76 I77 V78 | A72-G74 PolarHBondContact O-N 2.96Å; G74-D76 PolarHBondContact O-N 3.02Å; G74-I77 PolarHBondContact O-N 3.3Å; G74-V78 WeakPolarHBondContact O-CG2 3.47Å; G74-V78 PolarHBondContact O-N 2.8Å; G74-V78 VanDerWaalsContact O-N 3.1Å | ||
| 75 | L | 82.8 | Confident | 87.9 | Confident | 140 Ų | 140 | 73.9 Ų | 73.9 | 73% | 0.733 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -58.3 | -38.3 | -178.9 | -174 | 148.6 | 0 | 0 | 0 | 112.2 | V78 L79 | L75-V78 PolarHBondContact O-N 2.99Å; L75-L79 VanDerWaalsContact O-CB 3.24Å; L75-L79 WeakPolarHBondContact O-CB 3.31Å; L75-L79 PolarHBondContact O-N 3.32Å |
| 76 | D | 86.3 | Confident | 88.1 | Confident | 103 Ų | 103 | 75.2 Ų | 75.2 | 55% | 0.551 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -62.4 | -47.5 | 178.9 | -171.5 | 56 | 0 | 0 | 0 | 111.8 | G74 V78 L79 W80 | G74-D76 PolarHBondContact O-N 3.02Å; D76-V78 VanDerWaalsContact C-N 3.34Å; D76-V78 PolarHBondContact O-N 3.28Å; D76-L79 PolarHBondContact O-N 3.21Å; D76-W80 PolarHBondContact O-N 3.01Å; D76-W80 VanDerWaalsContact OD1-CD1 3.24Å; D76-W80 PolarHBondContact OD1-NE1 3.35Å |
| 77 | I | 86.4 | Confident | 88.4 | Confident | 68 Ų | 68 | 76.5 Ų | 76.5 | 35% | 0.349 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.8 | -45 | 177.7 | -61.7 | 172.9 | 0 | 0 | 0 | 110.8 | W67 A72 G74 S81 | W67-I77 HydrophobicContact CE3-CG2 4.42Å; W67-I77 HydrophobicContact CH2-CD1 4.46Å; W67-I77 HydrophobicContact CZ3-CD1 4.23Å; W67-I77 HydrophobicContact CZ3-CG2 3.96Å; A72-I77 HydrophobicContact CB-CD1 4.47Å; G74-I77 PolarHBondContact O-N 3.3Å; I77-S81 WeakPolarHBondContact O-CB 3.43Å; I77-S81 PolarHBondContact O-N 3.28Å; I77-S81 PolarHBondContact O-OG 3.49Å |
| 78 | V | 90.8 | Very high | 88.5 | Confident | 22 Ų | 22 | 75.5 Ų | 75.5 | 13% | 0.133 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62.3 | -46.3 | 177.6 | 171.1 | 0 | 0 | 0 | 0 | 110.5 | V65 W69 G74 L75 D76 S81 F82 | V65-V78 HydrophobicContact CG1-CG1 4.33Å; W69-V78 HydrophobicContact CB-CG2 4.44Å; W69-V78 HydrophobicContact CE3-CG1 4.21Å; G74-V78 WeakPolarHBondContact O-CG2 3.47Å; G74-V78 PolarHBondContact O-N 2.8Å; G74-V78 VanDerWaalsContact O-N 3.1Å; L75-V78 PolarHBondContact O-N 2.99Å; D76-V78 VanDerWaalsContact C-N 3.34Å; D76-V78 PolarHBondContact O-N 3.28Å; V78-S81 PolarHBondContact O-N 3.12Å; V78-F82 WeakPolarHBondContact O-CB 3.47Å; V78-F82 PolarHBondContact O-N 3.29Å |
| 79 | L | 93.1 | Very high | 88.9 | Confident | 84 Ų | 84 | 79.3 Ų | 79.3 | 44% | 0.44 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.7 | -50.6 | -177.6 | -178.3 | 63.7 | 0 | 0 | 0 | 111.6 | L75 D76 F82 L83 | L75-L79 VanDerWaalsContact O-CB 3.24Å; L75-L79 WeakPolarHBondContact O-CB 3.31Å; L75-L79 PolarHBondContact O-N 3.32Å; D76-L79 PolarHBondContact O-N 3.21Å; L79-F82 PolarHBondContact O-N 2.81Å; L79-L83 HydrophobicContact CG-CD1 4.39Å; L79-L83 WeakPolarHBondContact O-CG 3.38Å; L79-L83 PolarHBondContact O-N 3.24Å |
| 80 | W | 92.8 | Very high | 89.4 | Confident | 147 Ų | 147 | 76.1 Ų | 76.1 | 56% | 0.557 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -64 | -43.8 | 178.8 | -71.9 | 114.7 | 0 | 0 | 0 | 112.2 | D76 F82 L83 L84 | D76-W80 PolarHBondContact O-N 3.01Å; D76-W80 VanDerWaalsContact OD1-CD1 3.24Å; D76-W80 PolarHBondContact OD1-NE1 3.35Å; W80-F82 VanDerWaalsContact C-N 3.31Å; W80-F82 PolarHBondContact O-N 3.44Å; W80-L83 HydrophobicContact CE3-CD1 4.37Å; W80-L83 PolarHBondContact O-N 2.79Å; W80-L84 WeakPolarHBondContact O-CG 3.01Å; W80-L84 PolarHBondContact O-N 3.1Å |
| 81 | S | 92.6 | Very high | 89.9 | Confident | 14 Ų | 14 | 72 Ų | 72 | 10% | 0.098 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63.8 | -38.6 | 178.2 | -56.7 | 0 | 0 | 0 | 0 | 111.4 | C64 I77 V78 L84 A85 | C64-S81 WeakPolarHBondContact CB-OG 3.07Å; I77-S81 WeakPolarHBondContact O-CB 3.43Å; I77-S81 PolarHBondContact O-N 3.28Å; I77-S81 PolarHBondContact O-OG 3.49Å; V78-S81 PolarHBondContact O-N 3.12Å; S81-L84 PolarHBondContact O-N 2.88Å; S81-A85 WeakPolarHBondContact O-CB 3.22Å; S81-A85 PolarHBondContact O-N 2.87Å |
| 82 | F | 94.5 | Very high | 90.6 | Very high | 108 Ų | 108 | 70.7 Ų | 70.7 | 47% | 0.474 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.6 | -46.5 | 176.6 | 175.4 | -98.9 | 0 | 0 | 0 | 111.9 | V65 V78 L79 W80 L84 A85 V86 | V65-F82 HydrophobicContact CG2-CB 3.91Å; V65-F82 VanDerWaalsContact CG2-N 3.32Å; V78-F82 WeakPolarHBondContact O-CB 3.47Å; V78-F82 PolarHBondContact O-N 3.29Å; L79-F82 PolarHBondContact O-N 2.81Å; W80-F82 VanDerWaalsContact C-N 3.31Å; W80-F82 PolarHBondContact O-N 3.44Å; F82-L84 VanDerWaalsContact C-N 3.31Å; F82-L84 PolarHBondContact O-N 3.43Å; F82-A85 PolarHBondContact O-N 2.77Å; F82-V86 HydrophobicContact CD1-CG2 4.31Å; F82-V86 HydrophobicContact CD2-CG2 4.39Å; F82-V86 HydrophobicContact CE1-CG2 3.85Å; F82-V86 HydrophobicContact CE2-CG2 3.95Å; F82-V86 HydrophobicContact CZ-CG2 3.66Å; F82-V86 WeakPolarHBondContact O-CG2 3.22Å; F82-V86 PolarHBondContact O-N 3.06Å |
| 83 | L | 96.3 | Very high | 91.5 | Very high | 87 Ų | 87 | 71.8 Ų | 71.8 | 46% | 0.455 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -59.9 | -42.5 | 177.3 | -71.2 | 173.7 | 0 | 0 | 0 | 111.8 | L79 W80 V86 F87 | L79-L83 HydrophobicContact CG-CD1 4.39Å; L79-L83 WeakPolarHBondContact O-CG 3.38Å; L79-L83 PolarHBondContact O-N 3.24Å; W80-L83 HydrophobicContact CE3-CD1 4.37Å; W80-L83 PolarHBondContact O-N 2.79Å; L83-V86 PolarHBondContact O-N 2.89Å; L83-F87 WeakPolarHBondContact O-CB 3.47Å; L83-F87 PolarHBondContact O-N 2.84Å |
| 84 | L | 94.9 | Very high | 92.4 | Very high | 72 Ų | 72 | 71.4 Ų | 71.4 | 38% | 0.377 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -66.1 | -42 | 176.1 | -69.5 | 170.6 | 0 | 0 | 0 | 111.8 | Y61 W80 S81 F82 V86 F87 C88 | Y61-L84 HydrophobicContact CD1-CB 4.03Å; Y61-L84 HydrophobicContact CD1-CD1 4.18Å; Y61-L84 HydrophobicContact CD2-CB 3.81Å; Y61-L84 HydrophobicContact CE1-CB 4.11Å; Y61-L84 HydrophobicContact CE1-CD1 3.69Å; Y61-L84 HydrophobicContact CE2-CB 3.89Å; Y61-L84 HydrophobicContact CG-CB 3.9Å; W80-L84 WeakPolarHBondContact O-CG 3.01Å; W80-L84 PolarHBondContact O-N 3.1Å; S81-L84 PolarHBondContact O-N 2.88Å; F82-L84 VanDerWaalsContact C-N 3.31Å; F82-L84 PolarHBondContact O-N 3.43Å; L84-V86 PolarHBondContact O-N 3.19Å; L84-F87 PolarHBondContact O-N 2.87Å; L84-C88 PolarHBondContact O-N 3.1Å; L84-C88 PolarHBondContact O-SG 3.31Å |
| 85 | A | 96 | Very high | 92.9 | Very high | 1 Ų | 1 | 72 Ų | 72 | 1% | 0.008 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -59.5 | -46.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | L62 S81 F82 C88 L89 | L62-A85 HydrophobicContact CD2-CB 4.22Å; L62-A85 HydrophobicContact CG-CB 4.3Å; S81-A85 WeakPolarHBondContact O-CB 3.22Å; S81-A85 PolarHBondContact O-N 2.87Å; F82-A85 PolarHBondContact O-N 2.77Å; A85-C88 PolarHBondContact O-N 3.46Å; A85-L89 WeakPolarHBondContact O-CG 3.49Å; A85-L89 PolarHBondContact O-N 3.41Å |
| 86 | V | 96.6 | Very high | 93.2 | Very high | 54 Ų | 54 | 69 Ų | 69 | 33% | 0.327 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.9 | -44.4 | 177.2 | 170.6 | 0 | 0 | 0 | 0 | 110.9 | F82 L83 L84 C88 L89 L90 | F82-V86 HydrophobicContact CD1-CG2 4.31Å; F82-V86 HydrophobicContact CD2-CG2 4.39Å; F82-V86 HydrophobicContact CE1-CG2 3.85Å; F82-V86 HydrophobicContact CE2-CG2 3.95Å; F82-V86 HydrophobicContact CZ-CG2 3.66Å; F82-V86 WeakPolarHBondContact O-CG2 3.22Å; F82-V86 PolarHBondContact O-N 3.06Å; L83-V86 PolarHBondContact O-N 2.89Å; L84-V86 PolarHBondContact O-N 3.19Å; V86-C88 PolarHBondContact O-N 3.43Å; V86-L89 PolarHBondContact O-N 3.14Å; V86-L90 HydrophobicContact CG1-CD1 4.04Å; V86-L90 HydrophobicContact CG1-CG 4.38Å; V86-L90 WeakPolarHBondContact O-CG 3.48Å; V86-L90 PolarHBondContact O-N 2.96Å |
| 87 | F | 96.7 | Very high | 93.3 | Very high | 113 Ų | 113 | 70.8 Ų | 70.8 | 50% | 0.496 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.1 | -46.2 | 176.8 | -176.6 | -97.2 | 0 | 0 | 0 | 111.6 | L83 L84 L89 L90 Q91 | L83-F87 WeakPolarHBondContact O-CB 3.47Å; L83-F87 PolarHBondContact O-N 2.84Å; L84-F87 PolarHBondContact O-N 2.87Å; F87-L89 VanDerWaalsContact C-N 3.34Å; F87-L89 PolarHBondContact O-N 2.79Å; F87-L90 PolarHBondContact O-N 2.71Å; F87-Q91 HydrophobicContact CD1-CG 4.14Å; F87-Q91 HydrophobicContact CE1-CG 3.8Å; F87-Q91 HydrophobicContact CZ-CG 4.04Å; F87-Q91 VanDerWaalsContact O-CG 3.31Å; F87-Q91 WeakPolarHBondContact O-CG 3.41Å; F87-Q91 PolarHBondContact O-N 2.87Å |
| 88 | C | 95.1 | Very high | 93.4 | Very high | 6 Ų | 6 | 72.3 Ų | 72.3 | 4% | 0.041 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.3 | -40.7 | 176 | -69.4 | 0 | 0 | 0 | 0 | 112.3 | F54 L84 A85 V86 Q91 L92 | F54-C88 HydrophobicContact CD1-CB 4.42Å; L84-C88 PolarHBondContact O-N 3.1Å; L84-C88 PolarHBondContact O-SG 3.31Å; A85-C88 PolarHBondContact O-N 3.46Å; V86-C88 PolarHBondContact O-N 3.43Å; C88-Q91 PolarHBondContact O-N 3.47Å; C88-L92 WeakPolarHBondContact O-CB 3.19Å; C88-L92 PolarHBondContact O-N 2.66Å |
| 89 | L | 94.9 | Very high | 93.1 | Very high | 80 Ų | 80 | 74.5 Ų | 74.5 | 42% | 0.419 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.8 | -42.5 | 175.7 | -74.9 | 171.4 | 0 | 0 | 0 | 112.3 | S58 A85 V86 F87 L92 A93 | S58-L89 WeakPolarHBondContact OG-CD2 3.33Å; S58-L89 VanDerWaalsContact OG-CG 3.26Å; S58-L89 WeakPolarHBondContact OG-CG 3.37Å; A85-L89 WeakPolarHBondContact O-CG 3.49Å; A85-L89 PolarHBondContact O-N 3.41Å; V86-L89 PolarHBondContact O-N 3.14Å; F87-L89 VanDerWaalsContact C-N 3.34Å; F87-L89 PolarHBondContact O-N 2.79Å; L89-L92 PolarHBondContact O-N 3.2Å; L89-A93 WeakPolarHBondContact O-CB 3.34Å; L89-A93 PolarHBondContact O-N 3.5Å |
| 90 | L | 96.1 | Very high | 92.5 | Very high | 113 Ų | 113 | 77.4 Ų | 77.4 | 59% | 0.592 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -63.6 | -42.1 | 176.8 | -72.9 | 173 | 0 | 0 | 0 | 111.6 | V86 F87 A93 H94 | V86-L90 HydrophobicContact CG1-CD1 4.04Å; V86-L90 HydrophobicContact CG1-CG 4.38Å; V86-L90 WeakPolarHBondContact O-CG 3.48Å; V86-L90 PolarHBondContact O-N 2.96Å; F87-L90 PolarHBondContact O-N 2.71Å; L90-A93 PolarHBondContact O-N 2.9Å; L90-H94 WeakPolarHBondContact O-CB 3.37Å; L90-H94 PolarHBondContact O-N 2.96Å |
| 91 | Q | 94.4 | Very high | 92 | Very high | 63 Ų | 63 | 74.4 Ų | 74.4 | 29% | 0.294 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.2 | -42.3 | 175.8 | -68.2 | -65.1 | -10.2 | 0 | 0 | 111.9 | F54 F87 C88 H94 L95 | F54-Q91 HydrophobicContact CD1-CB 3.73Å; F54-Q91 HydrophobicContact CD1-CG 4.34Å; F54-Q91 HydrophobicContact CD2-CB 4.06Å; F54-Q91 HydrophobicContact CE1-CB 3.61Å; F54-Q91 HydrophobicContact CE1-CG 3.82Å; F54-Q91 HydrophobicContact CE2-CB 3.97Å; F54-Q91 HydrophobicContact CG-CB 3.96Å; F54-Q91 HydrophobicContact CZ-CB 3.75Å; F54-Q91 HydrophobicContact CZ-CG 4.01Å; F87-Q91 HydrophobicContact CD1-CG 4.14Å; F87-Q91 HydrophobicContact CE1-CG 3.8Å; F87-Q91 HydrophobicContact CZ-CG 4.04Å; F87-Q91 VanDerWaalsContact O-CG 3.31Å; F87-Q91 WeakPolarHBondContact O-CG 3.41Å; F87-Q91 PolarHBondContact O-N 2.87Å; C88-Q91 PolarHBondContact O-N 3.47Å; Q91-H94 PolarHBondContact O-N 2.88Å; Q91-L95 WeakPolarHBondContact O-CB 3.42Å; Q91-L95 PolarHBondContact O-N 3.22Å |
| 92 | L | 93.4 | Very high | 91.3 | Very high | 40 Ų | 40 | 77.6 Ų | 77.6 | 21% | 0.209 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.4 | -47.7 | 175.1 | -170.9 | 68.1 | 0 | 0 | 0 | 110.9 | F51 F54 C88 L89 H94 L95 V96 | F51-L92 HydrophobicContact CD1-CD1 3.59Å; F51-L92 HydrophobicContact CE1-CD1 4.31Å; F54-L92 HydrophobicContact CB-CB 4.16Å; F54-L92 HydrophobicContact CB-CD1 4.13Å; C88-L92 WeakPolarHBondContact O-CB 3.19Å; C88-L92 PolarHBondContact O-N 2.66Å; L89-L92 PolarHBondContact O-N 3.2Å; L92-H94 PolarHBondContact O-N 3.41Å; L92-L95 PolarHBondContact O-N 3.13Å; L92-V96 WeakPolarHBondContact O-CG2 3.49Å; L92-V96 PolarHBondContact O-N 3.46Å |
| 93 | A | 93.3 | Very high | 90.5 | Very high | 58 Ų | 58 | 75.7 Ų | 75.7 | 48% | 0.479 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.9 | -42.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L89 L90 L95 V96 Y97 | L89-A93 WeakPolarHBondContact O-CB 3.34Å; L89-A93 PolarHBondContact O-N 3.5Å; L90-A93 PolarHBondContact O-N 2.9Å; A93-L95 VanDerWaalsContact C-N 3.34Å; A93-L95 PolarHBondContact O-N 3.46Å; A93-V96 PolarHBondContact O-N 3.28Å; A93-Y97 WeakPolarHBondContact O-CB 3.49Å; A93-Y97 PolarHBondContact O-N 3.44Å |
| 94 | H | 93.2 | Very high | 89.7 | Confident | 107 Ų | 107 | 73.2 Ų | 73.2 | 50% | 0.495 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62 | -41.1 | 175.6 | 177.8 | -103.6 | 0 | 0 | 0 | 111.9 | L90 Q91 L92 Y97 R98 | L90-H94 WeakPolarHBondContact O-CB 3.37Å; L90-H94 PolarHBondContact O-N 2.96Å; Q91-H94 PolarHBondContact O-N 2.88Å; L92-H94 PolarHBondContact O-N 3.41Å; H94-Y97 WeakPolarHBondContact O-CB 3.26Å; H94-Y97 PolarHBondContact O-N 2.99Å; H94-R98 WeakPolarHBondContact O-CG 3.46Å; H94-R98 PolarHBondContact O-N 3.32Å |
| 95 | L | 91.5 | Very high | 89.1 | Confident | 33 Ų | 33 | 72.5 Ų | 72.5 | 17% | 0.173 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66.8 | -41.3 | 177 | -169.5 | 67.2 | 0 | 0 | 0 | 112.1 | C50 F51 Q91 L92 A93 Y97 R98 L99 | C50-L95 HydrophobicContact CB-CD2 3.47Å; C50-L95 VanDerWaalsContact CB-CD2 3.47Å; F51-L95 HydrophobicContact CB-CD2 4.49Å; F51-L95 HydrophobicContact CD1-CD2 3.82Å; F51-L95 HydrophobicContact CD1-CG 4.4Å; F51-L95 HydrophobicContact CD2-CD2 3.63Å; F51-L95 HydrophobicContact CD2-CG 4.28Å; F51-L95 HydrophobicContact CE1-CB 3.99Å; F51-L95 HydrophobicContact CE1-CD2 3.77Å; F51-L95 HydrophobicContact CE1-CG 3.83Å; F51-L95 HydrophobicContact CE2-CD2 3.61Å; F51-L95 HydrophobicContact CE2-CG 3.72Å; F51-L95 HydrophobicContact CG-CD2 3.72Å; F51-L95 HydrophobicContact CZ-CB 4.04Å; F51-L95 HydrophobicContact CZ-CD2 3.68Å; F51-L95 HydrophobicContact CZ-CG 3.48Å; F51-L95 VanDerWaalsContact CZ-CG 3.48Å; Q91-L95 WeakPolarHBondContact O-CB 3.42Å; Q91-L95 PolarHBondContact O-N 3.22Å; L92-L95 PolarHBondContact O-N 3.13Å; A93-L95 VanDerWaalsContact C-N 3.34Å; A93-L95 PolarHBondContact O-N 3.46Å; L95-Y97 VanDerWaalsContact C-N 3.3Å; L95-Y97 PolarHBondContact O-N 3.42Å; L95-R98 PolarHBondContact O-N 2.93Å; L95-L99 WeakPolarHBondContact O-CB 3.3Å; L95-L99 PolarHBondContact O-N 3.42Å |
| 96 | V | 88.9 | Confident | 88.6 | Confident | 77 Ų | 77 | 79 Ų | 79 | 47% | 0.467 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -57.4 | -46.5 | 172 | 174.4 | 0 | 0 | 0 | 0 | 110.3 | F51 L92 A93 L99 R100 | F51-V96 HydrophobicContact CD1-CG2 4.48Å; F51-V96 HydrophobicContact CE1-CB 4.37Å; F51-V96 HydrophobicContact CE1-CG2 3.54Å; F51-V96 HydrophobicContact CZ-CG2 4.27Å; L92-V96 WeakPolarHBondContact O-CG2 3.49Å; L92-V96 PolarHBondContact O-N 3.46Å; A93-V96 PolarHBondContact O-N 3.28Å; V96-L99 PolarHBondContact O-N 2.98Å; V96-R100 WeakPolarHBondContact O-CB 3.37Å; V96-R100 PolarHBondContact O-N 2.9Å |
| 97 | Y | 88 | Confident | 88.2 | Confident | 140 Ų | 140 | 78.9 Ų | 78.9 | 55% | 0.549 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.3 | -48.8 | -179.7 | 176.3 | -96.5 | 0 | 0 | 0 | 111.9 | A93 H94 L95 R100 E101 | A93-Y97 WeakPolarHBondContact O-CB 3.49Å; A93-Y97 PolarHBondContact O-N 3.44Å; H94-Y97 WeakPolarHBondContact O-CB 3.26Å; H94-Y97 PolarHBondContact O-N 2.99Å; L95-Y97 VanDerWaalsContact C-N 3.3Å; L95-Y97 PolarHBondContact O-N 3.42Å; Y97-R100 PolarHBondContact O-N 3.3Å; Y97-E101 PolarHBondContact O-N 2.94Å |
| 98 | R | 87.8 | Confident | 87.9 | Confident | 99 Ų | 99 | 74.4 Ų | 74.4 | 37% | 0.374 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.6 | -47.7 | 177.8 | -75.5 | -65.7 | -54.2 | 165.5 | 12 | 112.2 | H94 L95 R100 E101 D102 | H94-R98 WeakPolarHBondContact O-CG 3.46Å; H94-R98 PolarHBondContact O-N 3.32Å; L95-R98 PolarHBondContact O-N 2.93Å; R98-R100 VanDerWaalsContact C-N 3.3Å; R98-R100 PolarHBondContact O-N 3.12Å; R98-E101 IonicContact NH1-OE2 2.9Å; R98-E101 PolarHBondContact O-N 3.35Å; R98-D102 IonicContact CZ-OD1 3.76Å; R98-D102 IonicContact NH2-OD1 3.72Å; R98-D102 PolarHBondContact NH2-OD1 3.08Å; R98-D102 VanDerWaalsContact NH2-OD1 3.13Å; R98-D102 IonicContact NH2-OD2 3.13Å; R98-D102 PolarHBondContact NH2-OD2 2.96Å; R98-D102 WeakPolarHBondContact O-CB 3.5Å; R98-D102 VanDerWaalsContact O-CG 3.27Å; R98-D102 PolarHBondContact O-N 2.63Å |
| 99 | L | 85.3 | Confident | 87.6 | Confident | 69 Ų | 69 | 77.6 Ų | 77.6 | 36% | 0.361 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.1 | -43.5 | 178.3 | -175.7 | 68.2 | 0 | 0 | 0 | 111.1 | F51 L95 V96 D102 T103 | F51-L99 HydrophobicContact CE2-CD2 3.91Å; F51-L99 HydrophobicContact CZ-CB 4.42Å; F51-L99 HydrophobicContact CZ-CD2 4.06Å; L95-L99 WeakPolarHBondContact O-CB 3.3Å; L95-L99 PolarHBondContact O-N 3.42Å; V96-L99 PolarHBondContact O-N 2.98Å; L99-D102 PolarHBondContact O-N 2.96Å; L99-T103 PolarHBondContact O-N 3.25Å; L99-T103 PolarHBondContact O-OG1 3.39Å |
| 100 | R | 81.1 | Confident | 87.4 | Confident | 144 Ų | 144 | 77.5 Ų | 77.5 | 54% | 0.543 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.4 | -42.8 | 178.2 | -172.7 | 179.3 | -170.6 | -104.6 | 1.4 | 112.1 | V96 Y97 R98 L104 | V96-R100 WeakPolarHBondContact O-CB 3.37Å; V96-R100 PolarHBondContact O-N 2.9Å; Y97-R100 PolarHBondContact O-N 3.3Å; R98-R100 VanDerWaalsContact C-N 3.3Å; R98-R100 PolarHBondContact O-N 3.12Å; R100-L104 HydrophobicContact CG-CD1 4.13Å; R100-L104 WeakPolarHBondContact O-CB 3.36Å; R100-L104 VanDerWaalsContact O-CG 3.23Å; R100-L104 WeakPolarHBondContact O-CG 3.19Å; R100-L104 PolarHBondContact O-N 3.03Å |
| 101 | E | 80.9 | Confident | 87.2 | Confident | 85 Ų | 85 | 72.5 Ų | 72.5 | 40% | 0.397 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.4 | -44.8 | 178 | -171.1 | 177.2 | -165.6 | 0 | 0 | 111.4 | Y97 R98 L104 A105 | Y97-E101 PolarHBondContact O-N 2.94Å; R98-E101 IonicContact NH1-OE2 2.9Å; R98-E101 PolarHBondContact O-N 3.35Å; E101-L104 PolarHBondContact O-N 2.85Å; E101-A105 WeakPolarHBondContact O-CB 3.35Å; E101-A105 PolarHBondContact O-N 2.9Å |
| 102 | D | 79.1 | Confident | 87.1 | Confident | 80 Ų | 80 | 71.4 Ų | 71.4 | 43% | 0.428 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.9 | -43.5 | -179.6 | -67.9 | -27.7 | 0 | 0 | 0 | 111.2 | R98 L99 A105 E106 | R98-D102 IonicContact CZ-OD1 3.76Å; R98-D102 IonicContact NH2-OD1 3.72Å; R98-D102 PolarHBondContact NH2-OD1 3.08Å; R98-D102 VanDerWaalsContact NH2-OD1 3.13Å; R98-D102 IonicContact NH2-OD2 3.13Å; R98-D102 PolarHBondContact NH2-OD2 2.96Å; R98-D102 WeakPolarHBondContact O-CB 3.5Å; R98-D102 VanDerWaalsContact O-CG 3.27Å; R98-D102 PolarHBondContact O-N 2.63Å; L99-D102 PolarHBondContact O-N 2.96Å; D102-A105 PolarHBondContact O-N 2.98Å; D102-E106 PolarHBondContact O-N 3.29Å; D102-E106 VanDerWaalsContact O-N 3.07Å |
| 103 | T | 77.3 | Confident | 87 | Confident | 69 Ų | 69 | 74.7 Ų | 74.7 | 42% | 0.423 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.7 | -42 | 175.7 | -56.8 | 0 | 0 | 0 | 0 | 112.5 | L99 A105 E106 E107 | L99-T103 PolarHBondContact O-N 3.25Å; L99-T103 PolarHBondContact O-OG1 3.39Å; T103-A105 VanDerWaalsContact C-N 3.32Å; T103-A105 PolarHBondContact O-N 3.26Å; T103-E106 PolarHBondContact O-N 3.47Å; T103-E107 PolarHBondContact O-N 3.33Å |
| 104 | L | 79.2 | Confident | 86.8 | Confident | 34 Ų | 34 | 73.2 Ų | 73.2 | 18% | 0.178 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.6 | -42.8 | 175.8 | -75.4 | 170.8 | 0 | 0 | 0 | 111 | R100 E101 E106 E107 F108 V137 | R100-L104 HydrophobicContact CG-CD1 4.13Å; R100-L104 WeakPolarHBondContact O-CB 3.36Å; R100-L104 VanDerWaalsContact O-CG 3.23Å; R100-L104 WeakPolarHBondContact O-CG 3.19Å; R100-L104 PolarHBondContact O-N 3.03Å; E101-L104 PolarHBondContact O-N 2.85Å; L104-E106 VanDerWaalsContact C-N 3.31Å; L104-E106 PolarHBondContact O-N 3.25Å; L104-E107 PolarHBondContact O-N 2.84Å; L104-F108 WeakPolarHBondContact O-CD2 3.42Å; L104-F108 PolarHBondContact O-N 2.93Å; L104-V137 HydrophobicContact CD2-CB 3.6Å; L104-V137 HydrophobicContact CD2-CG2 3.54Å |
| 105 | A | 81.4 | Confident | 86.7 | Confident | 57 Ų | 57 | 69.6 Ų | 69.6 | 47% | 0.471 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.1 | -38.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | E101 D102 T103 D109 | E101-A105 WeakPolarHBondContact O-CB 3.35Å; E101-A105 PolarHBondContact O-N 2.9Å; D102-A105 PolarHBondContact O-N 2.98Å; T103-A105 VanDerWaalsContact C-N 3.32Å; T103-A105 PolarHBondContact O-N 3.26Å; A105-D109 WeakPolarHBondContact O-CB 3.14Å; A105-D109 PolarHBondContact O-N 3.03Å |
| 106 | E | 86.8 | Confident | 86.6 | Confident | 138 Ų | 138 | 68.5 Ų | 68.5 | 65% | 0.645 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -64.6 | -44.6 | 178 | -171.2 | 173.7 | -174.4 | 0 | 0 | 112.5 | D102 T103 L104 F108 D109 L110 | D102-E106 PolarHBondContact O-N 3.29Å; D102-E106 VanDerWaalsContact O-N 3.07Å; T103-E106 PolarHBondContact O-N 3.47Å; L104-E106 VanDerWaalsContact C-N 3.31Å; L104-E106 PolarHBondContact O-N 3.25Å; E106-F108 PolarHBondContact O-N 3.46Å; E106-D109 PolarHBondContact O-N 2.87Å; E106-L110 WeakPolarHBondContact O-CB 3.32Å; E106-L110 PolarHBondContact O-N 2.67Å |
| 107 | E | 88.4 | Confident | 86.6 | Confident | 51 Ų | 51 | 69.3 Ų | 69.3 | 24% | 0.238 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.5 | -43.5 | 177.4 | -70 | -71.2 | 162.2 | 0 | 0 | 112 | T103 L104 L111 V137 L161 | T103-E107 PolarHBondContact O-N 3.33Å; L104-E107 PolarHBondContact O-N 2.84Å; E107-L111 WeakPolarHBondContact O-CB 3.28Å; E107-L111 PolarHBondContact O-N 2.93Å; E107-V137 HydrophobicContact CB-CG2 4.21Å; E107-L161 HydrophobicContact CB-CD1 4.21Å |
| 108 | F | 89.3 | Confident | 86.7 | Confident | 19 Ų | 19 | 67.1 Ų | 67.1 | 8% | 0.083 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -69.3 | -39.2 | 176.5 | -72.5 | -64.5 | 0 | 0 | 0 | 112.2 | L104 E106 L110 L111 Y112 Y126 V130 V137 I212 | L104-F108 WeakPolarHBondContact O-CD2 3.42Å; L104-F108 PolarHBondContact O-N 2.93Å; E106-F108 PolarHBondContact O-N 3.46Å; F108-L110 VanDerWaalsContact C-N 3.34Å; F108-L110 PolarHBondContact O-N 3.07Å; F108-L111 HydrophobicContact CD1-CD2 4.41Å; F108-L111 WeakPolarHBondContact O-CB 3.38Å; F108-L111 PolarHBondContact O-N 2.72Å; F108-Y112 PolarHBondContact O-N 2.68Å; F108-Y126 WeakPolarHBondContact CA-OH 3.45Å; F108-Y126 WeakPolarHBondContact CB-OH 3.27Å; F108-Y126 PolarHBondContact O-OH 3.14Å; F108-V130 HydrophobicContact CD1-CB 4.47Å; F108-V130 HydrophobicContact CD1-CG1 3.86Å; F108-V130 HydrophobicContact CD1-CG2 3.78Å; F108-V130 HydrophobicContact CD2-CG1 4.36Å; F108-V130 HydrophobicContact CE1-CG1 3.86Å; F108-V130 HydrophobicContact CE1-CG2 4.18Å; F108-V130 HydrophobicContact CE2-CG1 4.4Å; F108-V130 HydrophobicContact CG-CG1 4.15Å; F108-V130 HydrophobicContact CG-CG2 4.48Å; F108-V130 HydrophobicContact CZ-CG1 4.16Å; F108-V137 HydrophobicContact CE2-CG2 4.17Å; F108-V137 HydrophobicContact CZ-CG2 4.16Å; F108-I212 HydrophobicContact CE1-CG2 3.88Å; F108-I212 HydrophobicContact CZ-CG2 4.11Å |
| 109 | D | 89.4 | Confident | 86.8 | Confident | 74 Ų | 74 | 66.4 Ų | 66.4 | 40% | 0.396 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.1 | -41.9 | 175.4 | -178 | 60.2 | 0 | 0 | 0 | 111.8 | A105 E106 Y112 K113 | A105-D109 WeakPolarHBondContact O-CB 3.14Å; A105-D109 PolarHBondContact O-N 3.03Å; E106-D109 PolarHBondContact O-N 2.87Å; D109-Y112 PolarHBondContact O-N 2.76Å; D109-K113 WeakPolarHBondContact O-CG 3.27Å; D109-K113 PolarHBondContact O-N 2.94Å; D109-K113 IonicContact OD1-NZ 2.98Å; D109-K113 WeakPolarHBondContact OD2-CE 3.45Å; D109-K113 IonicContact OD2-NZ 3.46Å; D109-K113 PolarHBondContact OD2-NZ 2.85Å |
| 110 | L | 91.3 | Very high | 87.1 | Confident | 78 Ų | 78 | 71.2 Ų | 71.2 | 41% | 0.408 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.6 | -41.1 | 176.4 | -173.4 | 63.6 | 0 | 0 | 0 | 112 | E106 F108 Y112 K113 T114 Y180 | E106-L110 WeakPolarHBondContact O-CB 3.32Å; E106-L110 PolarHBondContact O-N 2.67Å; F108-L110 VanDerWaalsContact C-N 3.34Å; F108-L110 PolarHBondContact O-N 3.07Å; L110-Y112 VanDerWaalsContact C-N 3.35Å; L110-K113 PolarHBondContact O-N 3.42Å; L110-T114 WeakPolarHBondContact O-CB 3.23Å; L110-T114 PolarHBondContact O-N 2.82Å; L110-T114 PolarHBondContact O-OG1 3.11Å; L110-Y180 WeakPolarHBondContact CD2-OH 3.49Å; L110-Y180 VanDerWaalsContact CG-OH 3.22Å; L110-Y180 WeakPolarHBondContact CG-OH 3.4Å |
| 111 | L | 92.3 | Very high | 87.6 | Confident | 7 Ų | 7 | 64.4 Ų | 64.4 | 4% | 0.037 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58.8 | -46.1 | 172.7 | 175.5 | 64 | 0 | 0 | 0 | 111.5 | E107 F108 T114 L115 Y126 L159 L161 Y180 I212 | E107-L111 WeakPolarHBondContact O-CB 3.28Å; E107-L111 PolarHBondContact O-N 2.93Å; F108-L111 HydrophobicContact CD1-CD2 4.41Å; F108-L111 WeakPolarHBondContact O-CB 3.38Å; F108-L111 PolarHBondContact O-N 2.72Å; L111-T114 PolarHBondContact O-N 3.5Å; L111-L115 HydrophobicContact CD1-CD1 3.68Å; L111-L115 HydrophobicContact CD1-CG 4.18Å; L111-L115 PolarHBondContact O-N 3.33Å; L111-Y126 HydrophobicContact CD2-CE2 4.33Å; L111-Y126 HydrophobicContact CG-CE2 4.44Å; L111-L159 HydrophobicContact CD1-CD2 3.43Å; L111-L159 VanDerWaalsContact CD1-CD2 3.43Å; L111-L159 HydrophobicContact CD2-CD2 4.41Å; L111-L161 HydrophobicContact CB-CD2 4.3Å; L111-L161 HydrophobicContact CD1-CD2 4.11Å; L111-L161 HydrophobicContact CD2-CD2 4.19Å; L111-L161 HydrophobicContact CG-CD2 4.44Å; L111-Y180 HydrophobicContact CD1-CD1 3.99Å; L111-Y180 HydrophobicContact CD1-CE1 4.41Å; L111-I212 HydrophobicContact CD2-CD1 3.44Å; L111-I212 VanDerWaalsContact CD2-CD1 3.44Å |
| 112 | Y | 91.1 | Very high | 88.1 | Confident | 40 Ų | 40 | 63.4 Ų | 63.4 | 16% | 0.157 | 34% | 0.338 | C | S | . | . | I | π-helix | trans | -60.4 | -49.2 | 178.3 | -179.5 | -108.5 | 0 | 0 | 0 | 111.3 | F108 D109 L110 T114 C116 L117 V121 L123 Y126 | F108-Y112 PolarHBondContact O-N 2.68Å; D109-Y112 PolarHBondContact O-N 2.76Å; L110-Y112 VanDerWaalsContact C-N 3.35Å; Y112-T114 PolarHBondContact O-N 2.79Å; Y112-C116 HydrophobicContact CD2-CB 3.36Å; Y112-C116 HydrophobicContact CE2-CB 3.66Å; Y112-C116 HydrophobicContact CG-CB 4.22Å; Y112-C116 CarbonylContact O-C 3.54Å; Y112-C116 WeakPolarHBondContact O-CA 3.45Å; Y112-C116 WeakPolarHBondContact O-CB 3.47Å; Y112-C116 PolarHBondContact O-N 3.03Å; Y112-C116 VanDerWaalsContact O-N 3.08Å; Y112-L117 HydrophobicContact CE1-CD1 4.36Å; Y112-L117 WeakPolarHBondContact O-CB 3.4Å; Y112-L117 PolarHBondContact O-N 3.21Å; Y112-V121 PolarHBondContact OH-O 3.43Å; Y112-L123 HydrophobicContact CD2-CD1 4.5Å; Y112-L123 HydrophobicContact CE1-CD1 4.25Å; Y112-L123 HydrophobicContact CE2-CD1 4.25Å; Y112-Y126 AromaticContact CD2-CD1 3.67Å; Y112-Y126 HydrophobicContact CD2-CD1 3.67Å; Y112-Y126 AromaticContact CD2-CD2 3.82Å; Y112-Y126 HydrophobicContact CD2-CD2 3.82Å; Y112-Y126 HydrophobicContact CD2-CE1 4.19Å; Y112-Y126 HydrophobicContact CD2-CE2 4.31Å; Y112-Y126 AromaticContact CD2-CG 3.47Å; Y112-Y126 HydrophobicContact CD2-CG 3.47Å; Y112-Y126 VanDerWaalsContact CD2-CG 3.47Å; Y112-Y126 HydrophobicContact CE2-CD1 4.45Å; Y112-Y126 HydrophobicContact CE2-CG 4.1Å; Y112-Y126 HydrophobicContact CG-CD1 4.15Å; Y112-Y126 HydrophobicContact CG-CE1 4.29Å; Y112-Y126 HydrophobicContact CG-CG 4.35Å |
| 113 | K | 91.3 | Very high | 88.5 | Confident | 110 Ų | 110 | 63.5 Ų | 63.5 | 48% | 0.478 | 34% | 0.338 | S | S | . | . | I | π-helix | trans | -61 | -31.8 | 177.7 | -73.6 | 169.8 | 177.7 | 166.3 | 0 | 113 | D109 L110 | D109-K113 WeakPolarHBondContact O-CG 3.27Å; D109-K113 PolarHBondContact O-N 2.94Å; D109-K113 IonicContact OD1-NZ 2.98Å; D109-K113 WeakPolarHBondContact OD2-CE 3.45Å; D109-K113 IonicContact OD2-NZ 3.46Å; D109-K113 PolarHBondContact OD2-NZ 2.85Å; L110-K113 PolarHBondContact O-N 3.42Å |
| 114 | T | 90.3 | Very high | 89.1 | Confident | 26 Ų | 26 | 66.3 Ų | 66.3 | 16% | 0.16 | 35% | 0.346 | C | S | . | . | I | π-helix | trans | -84.5 | -49.4 | -173.7 | -66.7 | 0 | 0 | 0 | 0 | 113.6 | L110 L111 Y112 P118 Y180 | L110-T114 WeakPolarHBondContact O-CB 3.23Å; L110-T114 PolarHBondContact O-N 2.82Å; L110-T114 PolarHBondContact O-OG1 3.11Å; L111-T114 PolarHBondContact O-N 3.5Å; Y112-T114 PolarHBondContact O-N 2.79Å; T114-P118 WeakPolarHBondContact O-CG 3.33Å; T114-Y180 HydrophobicContact CG2-CD1 3.74Å; T114-Y180 HydrophobicContact CG2-CD2 3.69Å; T114-Y180 HydrophobicContact CG2-CE1 4.06Å; T114-Y180 HydrophobicContact CG2-CE2 4Å; T114-Y180 HydrophobicContact CG2-CG 3.55Å |
| 115 | L | 89.8 | Confident | 89.6 | Confident | 31 Ų | 31 | 65.8 Ų | 65.8 | 16% | 0.162 | 34% | 0.344 | C | S | . | . | I | π-helix | trans | -102.9 | -46.2 | -174.6 | -67.6 | -176.8 | 0 | 0 | 0 | 112.1 | L111 L119 L159 | L111-L115 HydrophobicContact CD1-CD1 3.68Å; L111-L115 HydrophobicContact CD1-CG 4.18Å; L111-L115 PolarHBondContact O-N 3.33Å; L115-L119 VanDerWaalsContact O-CD1 3.26Å; L115-L119 WeakPolarHBondContact O-CD1 3.38Å; L115-L119 WeakPolarHBondContact O-CG 3.29Å; L115-L159 HydrophobicContact CD1-CD1 4.29Å; L115-L159 HydrophobicContact CD1-CD2 3.78Å |
| 116 | C | 88.9 | Confident | 90.1 | Very high | 11 Ų | 11 | 63.8 Ų | 63.8 | 7% | 0.074 | 33% | 0.325 | C | S | . | . | I | π-helix | trans | -82.3 | -37.1 | -169.3 | -65.6 | 0 | 0 | 0 | 0 | 113.1 | Y112 L119 Q120 V121 Y126 | Y112-C116 HydrophobicContact CD2-CB 3.36Å; Y112-C116 HydrophobicContact CE2-CB 3.66Å; Y112-C116 HydrophobicContact CG-CB 4.22Å; Y112-C116 CarbonylContact O-C 3.54Å; Y112-C116 WeakPolarHBondContact O-CA 3.45Å; Y112-C116 WeakPolarHBondContact O-CB 3.47Å; Y112-C116 PolarHBondContact O-N 3.03Å; Y112-C116 VanDerWaalsContact O-N 3.08Å; C116-L119 CarbonylContact O-C 3.59Å; C116-L119 PolarHBondContact O-N 3.32Å; C116-Q120 PolarHBondContact O-N 3.42Å; C116-Q120 VanDerWaalsContact O-N 3.12Å; C116-V121 HydrophobicContact CB-CB 3.9Å; C116-V121 HydrophobicContact CB-CG1 4.43Å; C116-V121 HydrophobicContact CB-CG2 4.21Å; C116-V121 WeakPolarHBondContact O-CB 3.31Å; C116-V121 PolarHBondContact O-N 3.46Å; C116-Y126 HydrophobicContact CB-CD2 4.4Å; C116-Y126 VanDerWaalsContact SG-CD2 3.57Å |
| 117 | L | 89.9 | Confident | 90.3 | Very high | 94 Ų | 94 | 62.5 Ų | 62.5 | 49% | 0.492 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -44.5 | -178.6 | -174.5 | 71 | 0 | 0 | 0 | 112.7 | Y112 L119 Q120 | Y112-L117 HydrophobicContact CE1-CD1 4.36Å; Y112-L117 WeakPolarHBondContact O-CB 3.4Å; Y112-L117 PolarHBondContact O-N 3.21Å; L117-L119 PolarHBondContact O-N 3.32Å; L117-Q120 PolarHBondContact O-N 2.94Å |
| 118 | P | 90.6 | Very high | 90.4 | Very high | 93 Ų | 93 | 63.6 Ų | 63.6 | 60% | 0.604 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -29.3 | 174.8 | -23.8 | 36.1 | 0 | 0 | 0 | 113.3 | T114 Q120 | T114-P118 WeakPolarHBondContact O-CG 3.33Å; P118-Q120 VanDerWaalsContact C-N 3.29Å |
| 119 | L | 89.8 | Confident | 90.5 | Very high | 85 Ų | 85 | 63.1 Ų | 63.1 | 45% | 0.445 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 2 | 176 | -68.3 | 167.4 | 0 | 0 | 0 | 113.1 | L115 C116 L117 V121 L232 L236 | L115-L119 VanDerWaalsContact O-CD1 3.26Å; L115-L119 WeakPolarHBondContact O-CD1 3.38Å; L115-L119 WeakPolarHBondContact O-CG 3.29Å; C116-L119 CarbonylContact O-C 3.59Å; C116-L119 PolarHBondContact O-N 3.32Å; L117-L119 PolarHBondContact O-N 3.32Å; L119-V121 HydrophobicContact CB-CG2 3.89Å; L119-V121 PolarHBondContact O-N 3.07Å; L119-L232 HydrophobicContact CD1-CD1 3.88Å; L119-L236 HydrophobicContact CD1-CD2 3.65Å; L119-L236 HydrophobicContact CD1-CG 4.31Å |
| 120 | Q | 90.4 | Very high | 90.6 | Very high | 170 Ų | 170 | 60.3 Ų | 60.3 | 79% | 0.794 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | 36.6 | -178.8 | -56.8 | 177.4 | 25.2 | 0 | 0 | 113.5 | C116 L117 P118 | C116-Q120 PolarHBondContact O-N 3.42Å; C116-Q120 VanDerWaalsContact O-N 3.12Å; L117-Q120 PolarHBondContact O-N 2.94Å; P118-Q120 VanDerWaalsContact C-N 3.29Å |
| 121 | V | 91.9 | Very high | 90.5 | Very high | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.006 | 32% | 0.316 | C | S | . | . | trans | -70.9 | 127.1 | -179.5 | 176.8 | 0 | 0 | 0 | 0 | 110.2 | Y112 C116 L119 T125 Y228 L232 | Y112-V121 PolarHBondContact OH-O 3.43Å; C116-V121 HydrophobicContact CB-CB 3.9Å; C116-V121 HydrophobicContact CB-CG1 4.43Å; C116-V121 HydrophobicContact CB-CG2 4.21Å; C116-V121 WeakPolarHBondContact O-CB 3.31Å; C116-V121 PolarHBondContact O-N 3.46Å; L119-V121 HydrophobicContact CB-CG2 3.89Å; L119-V121 PolarHBondContact O-N 3.07Å; V121-T125 HydrophobicContact CG1-CG2 4.42Å; V121-Y228 WeakPolarHBondContact CA-OH 3.39Å; V121-Y228 HydrophobicContact CG1-CE1 4.26Å; V121-L232 HydrophobicContact CG1-CD2 4.04Å; V121-L232 HydrophobicContact CG2-CD1 3.77Å; V121-L232 HydrophobicContact CG2-CD2 3.69Å; V121-L232 HydrophobicContact CG2-CG 4.4Å | ||
| 122 | P | 90.9 | Very high | 90.5 | Very high | 63 Ų | 63 | 63.7 Ų | 63.7 | 41% | 0.409 | 32% | 0.321 | S | S | . | . | trans | -59.1 | 140.3 | 175.8 | -23.4 | 33.2 | 0 | 0 | 0 | 112.1 | Q124 T125 Y126 Y228 | P122-Q124 PolarHBondContact O-N 2.95Å; P122-T125 WeakPolarHBondContact O-CB 3.28Å; P122-T125 PolarHBondContact O-N 3.25Å; P122-Y126 PolarHBondContact O-N 3.33Å; P122-Y126 VanDerWaalsContact O-N 3.11Å; P122-Y228 WeakPolarHBondContact CD-OH 3.48Å | ||
| 123 | L | 88.6 | Confident | 90.2 | Very high | 82 Ų | 82 | 61.9 Ų | 61.9 | 43% | 0.429 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.6 | -31.5 | -178.6 | -173.3 | 66 | 0 | 0 | 0 | 112.9 | Y112 Y126 K127 | Y112-L123 HydrophobicContact CD2-CD1 4.5Å; Y112-L123 HydrophobicContact CE1-CD1 4.25Å; Y112-L123 HydrophobicContact CE2-CD1 4.25Å; L123-Y126 HydrophobicContact CD1-CD1 4.24Å; L123-Y126 PolarHBondContact O-N 3.43Å; L123-K127 WeakPolarHBondContact O-CG 3.29Å; L123-K127 PolarHBondContact O-N 3.39Å |
| 124 | Q | 89.1 | Confident | 90 | Very high | 128 Ų | 128 | 63 Ų | 63 | 60% | 0.598 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -65.5 | -45.3 | 178 | -59.4 | -59.2 | -14.6 | 0 | 0 | 111.4 | P122 Y126 K127 E128 | P122-Q124 PolarHBondContact O-N 2.95Å; Q124-Y126 VanDerWaalsContact C-N 3.32Å; Q124-Y126 PolarHBondContact O-N 3.11Å; Q124-K127 WeakPolarHBondContact O-CB 3.26Å; Q124-K127 PolarHBondContact O-N 3.13Å; Q124-E128 PolarHBondContact O-N 3.41Å |
| 125 | T | 90.9 | Very high | 89.6 | Confident | 23 Ų | 23 | 67.7 Ų | 67.7 | 14% | 0.141 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.4 | -43.3 | 174.2 | -51.1 | 0 | 0 | 0 | 0 | 111.3 | V121 P122 K127 E128 I129 Y228 I229 | V121-T125 HydrophobicContact CG1-CG2 4.42Å; P122-T125 WeakPolarHBondContact O-CB 3.28Å; P122-T125 PolarHBondContact O-N 3.25Å; T125-K127 VanDerWaalsContact C-N 3.31Å; T125-K127 PolarHBondContact O-N 2.76Å; T125-E128 WeakPolarHBondContact O-CB 3.43Å; T125-E128 PolarHBondContact O-N 2.91Å; T125-E128 VanDerWaalsContact O-N 3.14Å; T125-I129 HydrophobicContact CG2-CD1 4.36Å; T125-I129 WeakPolarHBondContact O-CG1 3.3Å; T125-I129 PolarHBondContact O-N 3.17Å; T125-I129 VanDerWaalsContact O-N 3.13Å; T125-Y228 HydrophobicContact CG2-CD1 3.64Å; T125-Y228 HydrophobicContact CG2-CE1 3.79Å; T125-I229 HydrophobicContact CG2-CD1 3.75Å; T125-I229 HydrophobicContact CG2-CG1 3.35Å |
| 126 | Y | 91.4 | Very high | 89.4 | Confident | 15 Ų | 15 | 70 Ų | 70 | 6% | 0.059 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59.6 | -41.7 | 176.7 | 177.9 | -108.7 | 0 | 0 | 0 | 112.3 | F108 L111 Y112 C116 P122 L123 Q124 E128 I129 V130 | F108-Y126 WeakPolarHBondContact CA-OH 3.45Å; F108-Y126 WeakPolarHBondContact CB-OH 3.27Å; F108-Y126 PolarHBondContact O-OH 3.14Å; L111-Y126 HydrophobicContact CD2-CE2 4.33Å; L111-Y126 HydrophobicContact CG-CE2 4.44Å; Y112-Y126 AromaticContact CD2-CD1 3.67Å; Y112-Y126 HydrophobicContact CD2-CD1 3.67Å; Y112-Y126 AromaticContact CD2-CD2 3.82Å; Y112-Y126 HydrophobicContact CD2-CD2 3.82Å; Y112-Y126 HydrophobicContact CD2-CE1 4.19Å; Y112-Y126 HydrophobicContact CD2-CE2 4.31Å; Y112-Y126 AromaticContact CD2-CG 3.47Å; Y112-Y126 HydrophobicContact CD2-CG 3.47Å; Y112-Y126 VanDerWaalsContact CD2-CG 3.47Å; Y112-Y126 HydrophobicContact CE2-CD1 4.45Å; Y112-Y126 HydrophobicContact CE2-CG 4.1Å; Y112-Y126 HydrophobicContact CG-CD1 4.15Å; Y112-Y126 HydrophobicContact CG-CE1 4.29Å; Y112-Y126 HydrophobicContact CG-CG 4.35Å; C116-Y126 HydrophobicContact CB-CD2 4.4Å; C116-Y126 VanDerWaalsContact SG-CD2 3.57Å; P122-Y126 PolarHBondContact O-N 3.33Å; P122-Y126 VanDerWaalsContact O-N 3.11Å; L123-Y126 HydrophobicContact CD1-CD1 4.24Å; L123-Y126 PolarHBondContact O-N 3.43Å; Q124-Y126 VanDerWaalsContact C-N 3.32Å; Q124-Y126 PolarHBondContact O-N 3.11Å; Y126-E128 VanDerWaalsContact C-N 3.27Å; Y126-E128 PolarHBondContact O-N 3.37Å; Y126-I129 PolarHBondContact O-N 3.13Å; Y126-I129 VanDerWaalsContact O-N 3.17Å; Y126-V130 HydrophobicContact CD1-CG2 4.09Å; Y126-V130 HydrophobicContact CD2-CG2 4.17Å; Y126-V130 HydrophobicContact CE1-CG2 3.52Å; Y126-V130 HydrophobicContact CE2-CG2 3.63Å; Y126-V130 HydrophobicContact CG-CG2 4.37Å; Y126-V130 WeakPolarHBondContact O-CG2 3.44Å; Y126-V130 PolarHBondContact O-N 3.01Å; Y126-V130 WeakPolarHBondContact OH-CG2 3.37Å |
| 127 | K | 89.8 | Confident | 89.4 | Confident | 111 Ų | 111 | 70.7 Ų | 70.7 | 48% | 0.483 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.3 | -35.6 | 175.9 | -74 | 174.9 | 178.9 | -179.2 | 0 | 112.7 | L123 Q124 T125 H131 | L123-K127 WeakPolarHBondContact O-CG 3.29Å; L123-K127 PolarHBondContact O-N 3.39Å; Q124-K127 WeakPolarHBondContact O-CB 3.26Å; Q124-K127 PolarHBondContact O-N 3.13Å; T125-K127 VanDerWaalsContact C-N 3.31Å; T125-K127 PolarHBondContact O-N 2.76Å; K127-H131 VanDerWaalsContact O-CB 3.29Å; K127-H131 WeakPolarHBondContact O-CB 3.4Å; K127-H131 PolarHBondContact O-N 3.2Å |
| 128 | E | 91.8 | Very high | 89.6 | Confident | 74 Ų | 74 | 68.4 Ų | 68.4 | 35% | 0.346 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67.3 | -42.5 | 175.2 | -66.2 | 179.9 | 178.7 | 0 | 0 | 111.7 | Q124 T125 Y126 V130 H131 C132 I229 | Q124-E128 PolarHBondContact O-N 3.41Å; T125-E128 WeakPolarHBondContact O-CB 3.43Å; T125-E128 PolarHBondContact O-N 2.91Å; T125-E128 VanDerWaalsContact O-N 3.14Å; Y126-E128 VanDerWaalsContact C-N 3.27Å; Y126-E128 PolarHBondContact O-N 3.37Å; E128-V130 PolarHBondContact O-N 3.21Å; E128-H131 PolarHBondContact O-N 3.17Å; E128-C132 PolarHBondContact O-N 3.16Å; E128-I229 HydrophobicContact CB-CD1 4.27Å |
| 129 | I | 92.1 | Very high | 89.7 | Confident | 10 Ų | 10 | 69.2 Ų | 69.2 | 5% | 0.051 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.8 | -44.7 | 175.9 | -62 | 167.7 | 0 | 0 | 0 | 110.7 | T125 Y126 H131 C132 C133 W214 I229 L232 F233 | T125-I129 HydrophobicContact CG2-CD1 4.36Å; T125-I129 WeakPolarHBondContact O-CG1 3.3Å; T125-I129 PolarHBondContact O-N 3.17Å; T125-I129 VanDerWaalsContact O-N 3.13Å; Y126-I129 PolarHBondContact O-N 3.13Å; Y126-I129 VanDerWaalsContact O-N 3.17Å; I129-H131 VanDerWaalsContact C-N 3.34Å; I129-C132 WeakPolarHBondContact O-CB 3.48Å; I129-C132 PolarHBondContact O-N 3.04Å; I129-C133 PolarHBondContact O-N 3.44Å; I129-W214 HydrophobicContact CG2-CZ2 3.78Å; I129-W214 PolarHBondContact O-NE1 3.42Å; I129-I229 HydrophobicContact CD1-CG2 4.18Å; I129-I229 HydrophobicContact CG1-CD1 4.15Å; I129-I229 HydrophobicContact CG1-CG1 4.5Å; I129-I229 HydrophobicContact CG1-CG2 3.96Å; I129-L232 HydrophobicContact CD1-CD2 3.99Å; I129-F233 HydrophobicContact CD1-CE2 4Å; I129-F233 HydrophobicContact CG1-CE2 4.08Å; I129-F233 HydrophobicContact CG2-CE2 3.94Å; I129-F233 HydrophobicContact CG2-CZ 3.89Å |
| 130 | V | 91.2 | Very high | 90 | Very high | 15 Ų | 15 | 65.4 Ų | 65.4 | 9% | 0.091 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68.5 | -33.3 | 178 | 171 | 0 | 0 | 0 | 0 | 112 | F108 Y126 E128 C132 C133 K135 | F108-V130 HydrophobicContact CD1-CB 4.47Å; F108-V130 HydrophobicContact CD1-CG1 3.86Å; F108-V130 HydrophobicContact CD1-CG2 3.78Å; F108-V130 HydrophobicContact CD2-CG1 4.36Å; F108-V130 HydrophobicContact CE1-CG1 3.86Å; F108-V130 HydrophobicContact CE1-CG2 4.18Å; F108-V130 HydrophobicContact CE2-CG1 4.4Å; F108-V130 HydrophobicContact CG-CG1 4.15Å; F108-V130 HydrophobicContact CG-CG2 4.48Å; F108-V130 HydrophobicContact CZ-CG1 4.16Å; Y126-V130 HydrophobicContact CD1-CG2 4.09Å; Y126-V130 HydrophobicContact CD2-CG2 4.17Å; Y126-V130 HydrophobicContact CE1-CG2 3.52Å; Y126-V130 HydrophobicContact CE2-CG2 3.63Å; Y126-V130 HydrophobicContact CG-CG2 4.37Å; Y126-V130 WeakPolarHBondContact O-CG2 3.44Å; Y126-V130 PolarHBondContact O-N 3.01Å; Y126-V130 WeakPolarHBondContact OH-CG2 3.37Å; E128-V130 PolarHBondContact O-N 3.21Å; V130-C132 VanDerWaalsContact C-N 3.31Å; V130-C133 PolarHBondContact O-N 3.42Å; V130-C133 PolarHBondContact O-SG 2.91Å; V130-K135 HydrophobicContact CG1-CG 4.02Å; V130-K135 PolarHBondContact O-N 3.23Å |
| 131 | H | 89.4 | Confident | 90.2 | Very high | 135 Ų | 135 | 59.9 Ų | 59.9 | 63% | 0.625 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -67.1 | -35.3 | 173.6 | -173 | 42.8 | 0 | 0 | 0 | 111.9 | K127 E128 I129 C133 E134 | K127-H131 VanDerWaalsContact O-CB 3.29Å; K127-H131 WeakPolarHBondContact O-CB 3.4Å; K127-H131 PolarHBondContact O-N 3.2Å; E128-H131 PolarHBondContact O-N 3.17Å; I129-H131 VanDerWaalsContact C-N 3.34Å; H131-C133 VanDerWaalsContact C-N 3.33Å; H131-C133 PolarHBondContact O-N 3.29Å; H131-E134 PolarHBondContact O-N 2.97Å; H131-E134 VanDerWaalsContact O-N 3.12Å |
| 132 | C | 90.4 | Very high | 90.4 | Very high | 20 Ų | 20 | 63.7 Ų | 63.7 | 14% | 0.135 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.1 | -28.9 | 177.9 | -170.4 | 0 | 0 | 0 | 0 | 113.6 | E128 I129 V130 E134 L222 | E128-C132 PolarHBondContact O-N 3.16Å; I129-C132 WeakPolarHBondContact O-CB 3.48Å; I129-C132 PolarHBondContact O-N 3.04Å; V130-C132 VanDerWaalsContact C-N 3.31Å; C132-E134 PolarHBondContact O-N 3.04Å; C132-L222 HydrophobicContact CB-CD2 3.81Å |
| 133 | C | 86.4 | Confident | 90.6 | Very high | 3 Ų | 3 | 65.6 Ų | 65.6 | 2% | 0.02 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 23.5 | 171.1 | 65.8 | 0 | 0 | 0 | 0 | 113.5 | I129 V130 H131 K135 Q136 S213 W214 | I129-C133 PolarHBondContact O-N 3.44Å; V130-C133 PolarHBondContact O-N 3.42Å; V130-C133 PolarHBondContact O-SG 2.91Å; H131-C133 VanDerWaalsContact C-N 3.33Å; H131-C133 PolarHBondContact O-N 3.29Å; C133-K135 PolarHBondContact O-N 3.09Å; C133-Q136 PolarHBondContact O-N 3.44Å; C133-S213 VanDerWaalsContact CB-O 3.31Å; C133-S213 WeakPolarHBondContact CB-O 3.17Å; C133-W214 HydrophobicContact CB-CD2 4.18Å; C133-W214 HydrophobicContact CB-CG 4Å |
| 134 | E | 85.4 | Confident | 91 | Very high | 133 Ų | 133 | 66.2 Ų | 66.2 | 62% | 0.621 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 15.7 | 177.2 | -58.1 | 179.2 | -167.1 | 0 | 0 | 114.6 | H131 C132 Q136 | H131-E134 PolarHBondContact O-N 2.97Å; H131-E134 VanDerWaalsContact O-N 3.12Å; C132-E134 PolarHBondContact O-N 3.04Å; E134-Q136 PolarHBondContact O-N 3.42Å |
| 135 | K | 83.4 | Confident | 91.3 | Very high | 125 Ų | 125 | 63.2 Ų | 63.2 | 54% | 0.543 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 30.3 | -173.7 | -49.9 | -174 | 176.4 | 175.6 | 0 | 113.5 | V130 C133 | V130-K135 HydrophobicContact CG1-CG 4.02Å; V130-K135 PolarHBondContact O-N 3.23Å; C133-K135 PolarHBondContact O-N 3.09Å |
| 136 | Q | 85.4 | Confident | 91.5 | Very high | 80 Ų | 80 | 63.4 Ų | 63.4 | 37% | 0.374 | 32% | 0.324 | S | S | . | . | trans | -107.9 | 132 | -177.9 | -169.2 | 174.5 | 32.6 | 0 | 0 | 111.3 | C133 E134 L138 | C133-Q136 PolarHBondContact O-N 3.44Å; E134-Q136 PolarHBondContact O-N 3.42Å; Q136-L138 HydrophobicContact CG-CD2 4.06Å | ||
| 137 | V | 89.6 | Confident | 91.7 | Very high | 24 Ų | 24 | 62.7 Ų | 62.7 | 15% | 0.145 | 32% | 0.322 | C | S | . | . | trans | -98.6 | 125 | 164.3 | 178.2 | 0 | 0 | 0 | 0 | 107.9 | L104 E107 F108 L161 I212 | L104-V137 HydrophobicContact CD2-CB 3.6Å; L104-V137 HydrophobicContact CD2-CG2 3.54Å; E107-V137 HydrophobicContact CB-CG2 4.21Å; F108-V137 HydrophobicContact CE2-CG2 4.17Å; F108-V137 HydrophobicContact CZ-CG2 4.16Å; V137-L161 HydrophobicContact CG1-CD1 3.96Å; V137-L161 HydrophobicContact CG2-CD1 3.88Å; V137-I212 HydrophobicContact CG2-CG2 4.04Å | ||
| 138 | L | 92.3 | Very high | 92 | Very high | 46 Ų | 46 | 59.3 Ų | 59.3 | 24% | 0.241 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 151.8 | 176.7 | -62.1 | 173.7 | 0 | 0 | 0 | 109.3 | Q136 S210 Y211 | Q136-L138 HydrophobicContact CG-CD2 4.06Å; L138-S210 CarbonylContact O-C 3.55Å; L138-S210 VanDerWaalsContact O-CA 3.31Å; L138-S210 WeakPolarHBondContact O-CA 3.34Å; L138-Y211 HydrophobicContact CB-CD1 4.02Å; L138-Y211 HydrophobicContact CB-CD2 4.27Å; L138-Y211 HydrophobicContact CB-CE1 3.56Å; L138-Y211 HydrophobicContact CB-CE2 3.86Å; L138-Y211 HydrophobicContact CB-CG 4.35Å; L138-Y211 VanDerWaalsContact CB-CZ 3.49Å; L138-Y211 HydrophobicContact CD1-CD2 4.41Å; L138-Y211 HydrophobicContact CD1-CE2 3.58Å; L138-Y211 HydrophobicContact CG-CE2 4.33Å; L138-Y211 PolarHBondContact N-O 3.33Å; L138-Y211 PolarHBondContact O-N 3.48Å |
| 139 | T | 93.9 | Very high | 92.1 | Very high | 111 Ų | 111 | 58.3 Ų | 58.3 | 68% | 0.681 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 143.2 | 179.5 | 56.6 | 0 | 0 | 0 | 0 | 109.7 | C209 | T139-C209 WeakPolarHBondContact CA-O 3.42Å |
| 140 | L | 94.6 | Very high | 92.1 | Very high | 5 Ų | 5 | 60.3 Ų | 60.3 | 3% | 0.026 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 120.2 | 178.8 | -168.9 | 70.9 | 0 | 0 | 0 | 107.6 | Q144 A205 C209 Y211 | L140-Q144 HydrophobicContact CD1-CB 3.8Å; L140-Q144 HydrophobicContact CD1-CG 3.6Å; L140-Q144 HydrophobicContact CG-CB 4.08Å; L140-Q144 HydrophobicContact CG-CG 4.43Å; L140-A205 HydrophobicContact CB-CB 4.41Å; L140-A205 HydrophobicContact CD2-CB 3.53Å; L140-A205 HydrophobicContact CG-CB 3.72Å; L140-C209 HydrophobicContact CB-CB 4.18Å; L140-C209 PolarHBondContact N-O 3.28Å; L140-C209 PolarHBondContact O-N 3.12Å; L140-Y211 HydrophobicContact CB-CD1 4.45Å; L140-Y211 HydrophobicContact CB-CE1 4.17Å |
| 141 | A | 95.6 | Very high | 92.3 | Very high | 53 Ų | 53 | 66.6 Ų | 66.6 | 44% | 0.438 | 36% | 0.357 | S | S | . | . | trans | -73 | 160.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | E143 Q144 A205 | A141-E143 PolarHBondContact O-N 3.28Å; A141-Q144 HydrophobicContact CB-CB 4.3Å; A141-Q144 WeakPolarHBondContact O-CB 3.4Å; A141-Q144 PolarHBondContact O-N 2.98Å; A141-A205 WeakPolarHBondContact O-CB 3.4Å | ||
| 142 | T | 96.1 | Very high | 92.5 | Very high | 82 Ų | 82 | 61.6 Ų | 61.6 | 50% | 0.503 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | 135.4 | 174 | -53.8 | 0 | 0 | 0 | 0 | 111.1 | Q144 E206 S208 | T142-Q144 PolarHBondContact O-N 3.4Å; T142-E206 WeakPolarHBondContact CG2-O 3.41Å; T142-S208 PolarHBondContact OG1-N 3.1Å |
| 143 | E | 95.4 | Very high | 92.7 | Very high | 103 Ų | 103 | 63.9 Ų | 63.9 | 48% | 0.481 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | 6.7 | -173.3 | -59 | -60.1 | 135 | 0 | 0 | 115.6 | A141 R166 T204 A205 | A141-E143 PolarHBondContact O-N 3.28Å; E143-R166 IonicContact OE1-NH1 2.81Å; E143-R166 PolarHBondContact OE1-NH1 2.93Å; E143-R166 IonicContact OE2-CZ 3.28Å; E143-R166 VanDerWaalsContact OE2-CZ 3.28Å; E143-R166 IonicContact OE2-NH1 3.52Å; E143-R166 PolarHBondContact OE2-NH1 2.97Å; E143-R166 IonicContact OE2-NH2 3.91Å; E143-R166 PolarHBondContact OE2-NH2 3.4Å; E143-T204 WeakPolarHBondContact O-CG2 3.48Å; E143-A205 VanDerWaalsContact CA-O 3.3Å; E143-A205 WeakPolarHBondContact CA-O 3.38Å; E143-A205 PolarHBondContact N-O 2.98Å |
| 144 | Q | 96.2 | Very high | 93 | Very high | 94 Ų | 94 | 64.3 Ų | 64.3 | 44% | 0.439 | 35% | 0.353 | S | S | . | . | trans | -78.4 | 136.3 | 173 | -167.4 | -179.9 | -4.1 | 0 | 0 | 110.8 | L140 A141 T142 A205 | L140-Q144 HydrophobicContact CD1-CB 3.8Å; L140-Q144 HydrophobicContact CD1-CG 3.6Å; L140-Q144 HydrophobicContact CG-CB 4.08Å; L140-Q144 HydrophobicContact CG-CG 4.43Å; A141-Q144 HydrophobicContact CB-CB 4.3Å; A141-Q144 WeakPolarHBondContact O-CB 3.4Å; A141-Q144 PolarHBondContact O-N 2.98Å; T142-Q144 PolarHBondContact O-N 3.4Å; Q144-A205 PolarHBondContact O-N 3.41Å | ||
| 145 | T | 95.4 | Very high | 93.3 | Very high | 66 Ų | 66 | 61.3 Ų | 61.3 | 41% | 0.405 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 125.5 | 177.4 | 51.2 | 0 | 0 | 0 | 0 | 111 | V148 T202 L203 T204 | T145-V148 HydrophobicContact CG2-CG2 4.48Å; T145-T202 HydrophobicContact CG2-CG2 4.31Å; T145-L203 CarbonylContact C-O 3.54Å; T145-L203 WeakPolarHBondContact CA-O 3.31Å; T145-T204 HydrophobicContact CG2-CG2 4.09Å |
| 146 | Y | 96.2 | Very high | 93.8 | Very high | 26 Ų | 26 | 59.8 Ų | 59.8 | 10% | 0.102 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | -43.9 | 169.7 | 168.4 | -100.4 | 0 | 0 | 0 | 111.2 | R156 S158 M183 D184 F199 L203 Y211 | Y146-R156 WeakPolarHBondContact OH-CD 3.47Å; Y146-R156 WeakPolarHBondContact OH-CG 3.5Å; Y146-S158 VanDerWaalsContact OH-CB 3.29Å; Y146-S158 WeakPolarHBondContact OH-CB 3.43Å; Y146-S158 PolarHBondContact OH-OG 3.43Å; Y146-M183 HydrophobicContact CD1-CE 3.66Å; Y146-M183 HydrophobicContact CD2-CE 3.83Å; Y146-M183 HydrophobicContact CE1-CB 4.4Å; Y146-M183 HydrophobicContact CE1-CE 4.22Å; Y146-M183 HydrophobicContact CE2-CE 4.38Å; Y146-M183 HydrophobicContact CG-CE 3.44Å; Y146-M183 VanDerWaalsContact CG-CE 3.44Å; Y146-D184 PolarHBondContact OH-OD2 3.06Å; Y146-F199 HydrophobicContact CE1-CE1 4.18Å; Y146-F199 AromaticContact CE1-CZ 3.93Å; Y146-F199 HydrophobicContact CE1-CZ 3.93Å; Y146-L203 HydrophobicContact CD1-CB 4.1Å; Y146-L203 HydrophobicContact CD1-CD1 4.4Å; Y146-L203 HydrophobicContact CD1-CD2 4.15Å; Y146-L203 HydrophobicContact CD1-CG 4.46Å; Y146-L203 PolarHBondContact N-O 3.35Å; Y146-Y211 HydrophobicContact CD2-CE2 4.12Å; Y146-Y211 AromaticContact CD2-CZ 3.98Å; Y146-Y211 HydrophobicContact CE2-CD2 4.42Å; Y146-Y211 AromaticContact CE2-CE2 3.73Å; Y146-Y211 HydrophobicContact CE2-CE2 3.73Å |
| 147 | A | 96.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 146.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | T152 F199 T202 L203 | A147-T152 WeakPolarHBondContact CA-OG1 3.5Å; A147-T152 HydrophobicContact CB-CG2 3.84Å; A147-F199 HydrophobicContact CB-CB 4.18Å; A147-F199 HydrophobicContact CB-CD1 3.61Å; A147-F199 HydrophobicContact CB-CD2 3.87Å; A147-F199 HydrophobicContact CB-CE1 3.9Å; A147-F199 HydrophobicContact CB-CE2 4.13Å; A147-F199 HydrophobicContact CB-CG 3.6Å; A147-F199 HydrophobicContact CB-CZ 4.15Å; A147-T202 CarbonylContact O-C 3.52Å; A147-T202 WeakPolarHBondContact O-CA 3.5Å; A147-T202 WeakPolarHBondContact O-CG2 3.23Å; A147-L203 HydrophobicContact CB-CD1 3.87Å; A147-L203 PolarHBondContact O-N 3.45Å |
| 148 | V | 95.6 | Very high | 94.6 | Very high | 41 Ų | 41 | 54.9 Ų | 54.9 | 25% | 0.248 | 31% | 0.307 | C | S | . | . | trans | -114 | 132.8 | 176.6 | -178.8 | 0 | 0 | 0 | 0 | 108.3 | T145 G150 E151 T152 | T145-V148 HydrophobicContact CG2-CG2 4.48Å; V148-G150 PolarHBondContact O-N 2.9Å; V148-E151 HydrophobicContact CB-CB 4.19Å; V148-E151 HydrophobicContact CG1-CB 4.23Å; V148-E151 HydrophobicContact CG1-CG 4.12Å; V148-E151 PolarHBondContact O-N 3.11Å; V148-T152 PolarHBondContact N-OG1 3.43Å; V148-T152 PolarHBondContact O-N 3.35Å; V148-T152 PolarHBondContact O-OG1 3.18Å | ||
| 149 | E | 94.1 | Very high | 94.8 | Very high | 53 Ų | 53 | 52.8 Ų | 52.8 | 25% | 0.248 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | 131.8 | 177.4 | 178.9 | 171.7 | -174.9 | 0 | 0 | 111.5 | E151 D170 F199 T202 | E149-E151 PolarHBondContact O-N 3.18Å; E149-D170 PolarHBondContact OE2-N 3.27Å; E149-F199 CarbonylContact C-O 3.51Å; E149-F199 WeakPolarHBondContact CA-O 3.48Å; E149-T202 WeakPolarHBondContact CB-OG1 3.41Å; E149-T202 PolarHBondContact N-OG1 2.97Å; E149-T202 VanDerWaalsContact N-OG1 3.1Å |
| 150 | G | 92.4 | Very high | 94.9 | Very high | 51 Ų | 51 | 47.5 Ų | 47.5 | 53% | 0.526 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.9 | -13.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | V148 F199 | V148-G150 PolarHBondContact O-N 2.9Å; G150-F199 PolarHBondContact N-O 3.21Å |
| 151 | E | 93.5 | Very high | 94.9 | Very high | 147 Ų | 147 | 47.4 Ų | 47.4 | 69% | 0.687 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.3 | -45 | -173.9 | -63 | -171.7 | 169.7 | 0 | 0 | 113.2 | V148 E149 | V148-E151 HydrophobicContact CB-CB 4.19Å; V148-E151 HydrophobicContact CG1-CB 4.23Å; V148-E151 HydrophobicContact CG1-CG 4.12Å; V148-E151 PolarHBondContact O-N 3.11Å; E149-E151 PolarHBondContact O-N 3.18Å |
| 152 | T | 94.4 | Very high | 94.9 | Very high | 30 Ų | 30 | 47 Ų | 47 | 18% | 0.184 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -78.2 | 128 | -172.8 | -58.6 | 0 | 0 | 0 | 0 | 110.1 | A147 V148 V198 F199 | A147-T152 WeakPolarHBondContact CA-OG1 3.5Å; A147-T152 HydrophobicContact CB-CG2 3.84Å; V148-T152 PolarHBondContact N-OG1 3.43Å; V148-T152 PolarHBondContact O-N 3.35Å; V148-T152 PolarHBondContact O-OG1 3.18Å; T152-V198 CarbonylContact O-C 3.59Å; T152-V198 VanDerWaalsContact O-CA 3.24Å; T152-V198 WeakPolarHBondContact O-CA 3.39Å; T152-F199 HydrophobicContact CG2-CD2 3.78Å; T152-F199 HydrophobicContact CG2-CE2 4.02Å; T152-F199 WeakPolarHBondContact O-CD2 3.47Å; T152-F199 PolarHBondContact O-N 3.41Å |
| 153 | P | 94 | Very high | 94.8 | Very high | 69 Ų | 69 | 44.2 Ų | 44.2 | 45% | 0.448 | 25% | 0.245 | S | C | . | . | B | Isolated β-bridge | trans | -77.6 | 144.8 | 177.2 | 30.6 | -34.7 | 0 | 0 | 0 | 111.9 | N155 G197 | P153-N155 PolarHBondContact O-N 3.46Å; P153-N155 VanDerWaalsContact O-N 3.07Å; P153-G197 WeakPolarHBondContact CA-O 3.13Å |
| 154 | I | 93 | Very high | 94.9 | Very high | 12 Ų | 12 | 42.7 Ų | 42.7 | 6% | 0.062 | 24% | 0.235 | C | C | . | . | trans | -83.3 | 83.6 | 177.6 | -57.5 | 164 | 0 | 0 | 0 | 109.1 | E187 L191 G197 V198 F199 | I154-E187 HydrophobicContact CD1-CB 3.75Å; I154-E187 HydrophobicContact CD1-CG 4.11Å; I154-E187 HydrophobicContact CG1-CB 4.04Å; I154-E187 HydrophobicContact CG1-CG 4.46Å; I154-E187 HydrophobicContact CG2-CB 4.08Å; I154-L191 HydrophobicContact CB-CD1 3.59Å; I154-L191 HydrophobicContact CD1-CD1 3.59Å; I154-L191 HydrophobicContact CD1-CG 4.29Å; I154-L191 HydrophobicContact CG1-CD1 4.17Å; I154-L191 HydrophobicContact CG2-CD1 3.78Å; I154-G197 PolarHBondContact N-O 2.84Å; I154-V198 VanDerWaalsContact CD1-O 3.28Å; I154-V198 WeakPolarHBondContact CD1-O 3.37Å; I154-F199 HydrophobicContact CB-CE2 4.45Å; I154-F199 HydrophobicContact CG1-CD2 3.74Å; I154-F199 HydrophobicContact CG1-CE2 3.91Å; I154-F199 HydrophobicContact CG1-CG 4.33Å | ||
| 155 | N | 92.9 | Very high | 95 | Very high | 69 Ų | 69 | 38.2 Ų | 38.2 | 37% | 0.369 | 21% | 0.214 | S | C | . | . | trans | -120.3 | 5.1 | -175.5 | 66.9 | 0.8 | 0 | 0 | 0 | 114.5 | P153 R216 | P153-N155 PolarHBondContact O-N 3.46Å; P153-N155 VanDerWaalsContact O-N 3.07Å; N155-R216 VanDerWaalsContact C-CB 3.49Å; N155-R216 WeakPolarHBondContact O-CB 3.47Å; N155-R216 PolarHBondContact O-N 3.43Å | ||
| 156 | R | 93.6 | Very high | 95 | Very high | 94 Ų | 94 | 38.9 Ų | 38.9 | 36% | 0.355 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 163.6 | -176.9 | 71.3 | -167 | 86.3 | -127 | 9.2 | 110.6 | Y146 S213 W214 | Y146-R156 WeakPolarHBondContact OH-CD 3.47Å; Y146-R156 WeakPolarHBondContact OH-CG 3.5Å; R156-S213 VanDerWaalsContact CD-OG 3.3Å; R156-S213 WeakPolarHBondContact CD-OG 3.37Å; R156-W214 CarbonylContact C-O 3.59Å; R156-W214 VanDerWaalsContact CA-O 3.27Å; R156-W214 WeakPolarHBondContact CA-O 3.21Å |
| 157 | L | 95.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 133 | 165.8 | 179.5 | 71.7 | 0 | 0 | 0 | 107.1 | F182 D184 W188 S213 W214 L219 F233 L237 | L157-F182 HydrophobicContact CD1-CD1 3.81Å; L157-F182 HydrophobicContact CD1-CE1 4.29Å; L157-F182 HydrophobicContact CD2-CD1 4.13Å; L157-F182 HydrophobicContact CD2-CE1 3.74Å; L157-F182 HydrophobicContact CG-CD1 3.88Å; L157-F182 HydrophobicContact CG-CE1 3.96Å; L157-D184 WeakPolarHBondContact CA-OD1 3.35Å; L157-D184 WeakPolarHBondContact CD1-OD1 3.37Å; L157-W188 HydrophobicContact CB-CD2 4.14Å; L157-W188 HydrophobicContact CB-CE3 3.7Å; L157-W188 HydrophobicContact CB-CZ3 4.02Å; L157-W188 HydrophobicContact CD1-CB 3.76Å; L157-W188 HydrophobicContact CD1-CD2 4.24Å; L157-W188 HydrophobicContact CD1-CE3 4.49Å; L157-W188 HydrophobicContact CD1-CG 3.9Å; L157-S213 CarbonylContact O-C 3.49Å; L157-S213 WeakPolarHBondContact O-CA 3.41Å; L157-S213 PolarHBondContact O-OG 3.4Å; L157-W214 PolarHBondContact N-O 3.47Å; L157-W214 PolarHBondContact O-N 3.41Å; L157-L219 HydrophobicContact CB-CD2 3.98Å; L157-L219 HydrophobicContact CD2-CD2 3.54Å; L157-L219 HydrophobicContact CG-CD2 4.41Å; L157-F233 HydrophobicContact CD2-CD1 4.02Å; L157-F233 HydrophobicContact CD2-CE1 3.86Å; L157-L237 HydrophobicContact CD1-CD2 3.88Å; L157-L237 HydrophobicContact CD2-CD2 4.16Å |
| 158 | S | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 142.5 | -174.8 | -60.3 | 0 | 0 | 0 | 0 | 112.4 | Y146 F182 M183 D184 I212 S213 | Y146-S158 VanDerWaalsContact OH-CB 3.29Å; Y146-S158 WeakPolarHBondContact OH-CB 3.43Å; Y146-S158 PolarHBondContact OH-OG 3.43Å; S158-F182 WeakPolarHBondContact O-CA 3.34Å; S158-M183 PolarHBondContact O-N 3Å; S158-D184 PolarHBondContact N-OD1 3.22Å; S158-D184 PolarHBondContact N-OD2 2.91Å; S158-I212 CarbonylContact C-O 3.54Å; S158-I212 WeakPolarHBondContact CA-O 3.1Å; S158-I212 WeakPolarHBondContact CB-O 3.24Å; S158-S213 VanDerWaalsContact OG-CB 3.31Å; S158-S213 WeakPolarHBondContact OG-CB 3.33Å; S158-S213 PolarHBondContact OG-OG 2.9Å |
| 159 | L | 96.3 | Very high | 94.7 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 127.2 | 178.3 | -176 | 85.5 | 0 | 0 | 0 | 109.7 | L111 L115 F182 Y211 I212 W214 | L111-L159 HydrophobicContact CD1-CD2 3.43Å; L111-L159 VanDerWaalsContact CD1-CD2 3.43Å; L111-L159 HydrophobicContact CD2-CD2 4.41Å; L115-L159 HydrophobicContact CD1-CD1 4.29Å; L115-L159 HydrophobicContact CD1-CD2 3.78Å; L159-F182 HydrophobicContact CB-CD1 4.27Å; L159-F182 HydrophobicContact CB-CE1 4.25Å; L159-F182 HydrophobicContact CD1-CD1 3.94Å; L159-F182 HydrophobicContact CD1-CD2 3.85Å; L159-F182 HydrophobicContact CD1-CE1 3.96Å; L159-F182 HydrophobicContact CD1-CE2 3.86Å; L159-F182 HydrophobicContact CD1-CG 3.89Å; L159-F182 HydrophobicContact CD1-CZ 3.93Å; L159-Y211 VanDerWaalsContact O-CA 3.28Å; L159-Y211 WeakPolarHBondContact O-CA 3.24Å; L159-Y211 VanDerWaalsContact O-CB 3.29Å; L159-Y211 WeakPolarHBondContact O-CB 3.46Å; L159-I212 HydrophobicContact CB-CD1 4.42Å; L159-I212 HydrophobicContact CB-CG1 3.91Å; L159-I212 HydrophobicContact CD2-CD1 4.23Å; L159-I212 HydrophobicContact CD2-CG1 4.48Å; L159-I212 PolarHBondContact N-O 2.89Å; L159-I212 PolarHBondContact O-N 3.47Å; L159-W214 HydrophobicContact CB-CH2 4.06Å; L159-W214 HydrophobicContact CB-CZ3 3.78Å; L159-W214 HydrophobicContact CD2-CH2 4.46Å |
| 160 | L | 96.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 129.2 | 177.8 | -169.6 | 64.2 | 0 | 0 | 0 | 109.8 | S162 V165 I177 Y180 Q181 M183 C209 | L160-S162 WeakPolarHBondContact CD1-O 3.39Å; L160-V165 HydrophobicContact CD1-CG2 4Å; L160-V165 HydrophobicContact CD2-CG2 4.1Å; L160-I177 HydrophobicContact CD2-CG2 4.23Å; L160-I177 WeakPolarHBondContact CD2-O 3.4Å; L160-Y180 WeakPolarHBondContact O-CA 3.4Å; L160-Y180 PolarHBondContact O-N 2.87Å; L160-Q181 PolarHBondContact N-O 3.42Å; L160-M183 HydrophobicContact CB-CG 4.23Å; L160-M183 HydrophobicContact CB-SD 4.46Å; L160-M183 HydrophobicContact CD1-SD 4.29Å; L160-C209 HydrophobicContact CD1-CB 3.84Å |
| 161 | L | 94.6 | Very high | 94.3 | Very high | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.016 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | -40.7 | 177.2 | -64 | 179.7 | 0 | 0 | 0 | 112 | E107 L111 V137 P179 S210 I212 | E107-L161 HydrophobicContact CB-CD1 4.21Å; L111-L161 HydrophobicContact CB-CD2 4.3Å; L111-L161 HydrophobicContact CD1-CD2 4.11Å; L111-L161 HydrophobicContact CD2-CD2 4.19Å; L111-L161 HydrophobicContact CG-CD2 4.44Å; V137-L161 HydrophobicContact CG1-CD1 3.96Å; V137-L161 HydrophobicContact CG2-CD1 3.88Å; L161-P179 WeakPolarHBondContact O-CB 3.06Å; L161-S210 WeakPolarHBondContact CA-O 3.38Å; L161-S210 WeakPolarHBondContact CB-O 3.46Å; L161-S210 PolarHBondContact N-O 3.45Å; L161-I212 HydrophobicContact CD1-CG2 3.7Å; L161-I212 HydrophobicContact CD2-CD1 4.49Å; L161-I212 HydrophobicContact CD2-CG1 4.48Å; L161-I212 HydrophobicContact CG-CG2 4.29Å |
| 162 | S | 94.7 | Very high | 94.1 | Very high | 44 Ų | 44 | 44.7 Ų | 44.7 | 31% | 0.308 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 161.3 | 177.5 | 77.3 | 0 | 0 | 0 | 0 | 111.7 | L160 C209 S210 | L160-S162 WeakPolarHBondContact CD1-O 3.39Å; S162-C209 VanDerWaalsContact O-CA 3.27Å; S162-C209 WeakPolarHBondContact O-CA 3.45Å; S162-C209 WeakPolarHBondContact O-CB 3.29Å; S162-S210 WeakPolarHBondContact CB-OG 3.33Å; S162-S210 PolarHBondContact N-O 3.44Å; S162-S210 VanDerWaalsContact N-O 3.14Å; S162-S210 PolarHBondContact N-OG 2.93Å; S162-S210 PolarHBondContact O-N 2.94Å; S162-S210 PolarHBondContact OG-N 3.19Å; S162-S210 PolarHBondContact OG-OG 3.3Å |
| 163 | G | 94.8 | Very high | 93.9 | Very high | 24 Ų | 24 | 47.8 Ų | 47.8 | 25% | 0.247 | 26% | 0.257 | C | S | . | . | S | Bend | trans | 87.2 | -161.7 | -180 | 0 | 0 | 0 | 0 | 0 | 113.5 | P179 T207 | G163-P179 VanDerWaalsContact O-CD 3.31Å; G163-P179 WeakPolarHBondContact O-CD 3.42Å; G163-P179 WeakPolarHBondContact O-CG 3.42Å; G163-T207 WeakPolarHBondContact CA-OG1 3.48Å |
| 164 | R | 96.3 | Very high | 93.7 | Very high | 72 Ų | 72 | 46.1 Ų | 46.1 | 27% | 0.272 | 24% | 0.244 | S | C | . | . | trans | -144.2 | 134.8 | 180 | -158.5 | -175.4 | -37.2 | 147.6 | -0.9 | 111 | Y176 F178 E206 T207 C209 | R164-Y176 HydrophobicContact CG-CD1 3.95Å; R164-Y176 HydrophobicContact CG-CG 4.17Å; R164-F178 HydrophobicContact CG-CD1 4.16Å; R164-F178 HydrophobicContact CG-CE1 4.06Å; R164-E206 VanDerWaalsContact CD-OE2 3.25Å; R164-E206 WeakPolarHBondContact CD-OE2 3.33Å; R164-E206 IonicContact CZ-OE2 2.8Å; R164-E206 IonicContact NE-OE2 2.63Å; R164-E206 IonicContact NH1-OE1 3.87Å; R164-E206 PolarHBondContact NH1-OE1 3.27Å; R164-E206 IonicContact NH1-OE2 3.05Å; R164-E206 PolarHBondContact NH1-OE2 2.95Å; R164-E206 PolarHBondContact O-N 3.46Å; R164-T207 PolarHBondContact N-OG1 2.94Å; R164-T207 PolarHBondContact O-N 3.29Å; R164-C209 PolarHBondContact N-SG 2.97Å; R164-C209 PolarHBondContact O-SG 3.28Å; R164-C209 VanDerWaalsContact O-SG 3.41Å | ||
| 165 | V | 97.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 131.6 | 178.3 | 176.5 | 0 | 0 | 0 | 0 | 108.9 | L160 Y176 I177 M183 L203 T204 | L160-V165 HydrophobicContact CD1-CG2 4Å; L160-V165 HydrophobicContact CD2-CG2 4.1Å; V165-Y176 CarbonylContact O-C 3.57Å; V165-Y176 WeakPolarHBondContact O-CA 3.36Å; V165-I177 HydrophobicContact CB-CB 4.32Å; V165-I177 PolarHBondContact N-O 3.32Å; V165-I177 VanDerWaalsContact N-O 3.15Å; V165-I177 PolarHBondContact O-N 2.87Å; V165-M183 HydrophobicContact CB-CE 4.47Å; V165-M183 HydrophobicContact CG1-CE 4.1Å; V165-M183 HydrophobicContact CG2-CE 3.89Å; V165-L203 HydrophobicContact CG1-CB 3.97Å; V165-L203 HydrophobicContact CG1-CD2 4.26Å; V165-T204 CarbonylContact C-O 3.55Å; V165-T204 WeakPolarHBondContact CA-O 3.49Å; V165-T204 WeakPolarHBondContact CG1-O 3.45Å |
| 166 | R | 95.9 | Very high | 93.8 | Very high | 79 Ų | 79 | 46.8 Ų | 46.8 | 30% | 0.298 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 138.4 | 170.4 | 68.9 | 174 | -173 | -133.2 | -5.3 | 109.9 | E143 F173 Y176 L203 T204 | E143-R166 IonicContact OE1-NH1 2.81Å; E143-R166 PolarHBondContact OE1-NH1 2.93Å; E143-R166 IonicContact OE2-CZ 3.28Å; E143-R166 VanDerWaalsContact OE2-CZ 3.28Å; E143-R166 IonicContact OE2-NH1 3.52Å; E143-R166 PolarHBondContact OE2-NH1 2.97Å; E143-R166 IonicContact OE2-NH2 3.91Å; E143-R166 PolarHBondContact OE2-NH2 3.4Å; R166-F173 HydrophobicContact CB-CD2 4.27Å; R166-F173 HydrophobicContact CB-CE2 4.11Å; R166-Y176 HydrophobicContact CB-CD1 3.99Å; R166-Y176 HydrophobicContact CB-CE1 3.76Å; R166-L203 WeakPolarHBondContact O-CA 3.29Å; R166-T204 WeakPolarHBondContact CG-O 3.41Å; R166-T204 PolarHBondContact N-O 2.97Å; R166-T204 PolarHBondContact O-N 3.13Å |
| 167 | V | 95.4 | Very high | 93.9 | Very high | 5 Ų | 5 | 42.4 Ų | 42.4 | 3% | 0.03 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 131.4 | 173.2 | -174.6 | 0 | 0 | 0 | 0 | 108.4 | L174 H175 I177 V201 T202 L203 | V167-L174 HydrophobicContact CB-CB 4.47Å; V167-L174 HydrophobicContact CG1-CB 4.41Å; V167-L174 PolarHBondContact O-N 3.05Å; V167-H175 PolarHBondContact N-O 3.49Å; V167-I177 HydrophobicContact CG2-CD1 3.56Å; V167-I177 HydrophobicContact CG2-CG1 3.67Å; V167-V201 HydrophobicContact CG1-CB 3.82Å; V167-V201 HydrophobicContact CG1-CG1 4.24Å; V167-V201 HydrophobicContact CG1-CG2 3.74Å; V167-T202 WeakPolarHBondContact CA-O 3.44Å; V167-L203 HydrophobicContact CG2-CD2 4.46Å; V167-L203 HydrophobicContact CG2-CG 4.4Å |
| 168 | S | 93.8 | Very high | 93.9 | Very high | 17 Ų | 17 | 47 Ų | 47 | 12% | 0.119 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 146.1 | 177.1 | 53.5 | 0 | 0 | 0 | 0 | 112.3 | Q172 T202 | S168-Q172 CarbonylContact C-O 3.46Å; S168-Q172 WeakPolarHBondContact CA-O 3.45Å; S168-Q172 WeakPolarHBondContact CB-O 3.17Å; S168-T202 PolarHBondContact N-O 2.91Å; S168-T202 PolarHBondContact O-N 3.35Å; S168-T202 PolarHBondContact OG-O 2.89Å |
| 169 | Q | 92.6 | Very high | 93.9 | Very high | 80 Ų | 80 | 49.3 Ų | 49.3 | 37% | 0.374 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 130.1 | 174.8 | -172.3 | 178.2 | 19.2 | 0 | 0 | 107.8 | G171 Q172 L174 V201 | Q169-G171 PolarHBondContact O-N 3.49Å; Q169-G171 VanDerWaalsContact O-N 3.08Å; Q169-Q172 PolarHBondContact N-O 3.01Å; Q169-Q172 WeakPolarHBondContact O-CB 3.31Å; Q169-Q172 PolarHBondContact O-N 3.25Å; Q169-L174 HydrophobicContact CB-CD1 3.44Å; Q169-L174 VanDerWaalsContact CB-CD1 3.44Å; Q169-V201 HydrophobicContact CB-CG1 4.21Å |
| 170 | D | 90.4 | Very high | 93.8 | Very high | 131 Ų | 131 | 51 Ų | 51 | 70% | 0.701 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 35.3 | -175.6 | -64.6 | -51.3 | 0 | 0 | 0 | 112.9 | E149 Q172 | E149-D170 PolarHBondContact OE2-N 3.27Å; D170-Q172 PolarHBondContact O-N 2.91Å |
| 171 | G | 87.7 | Confident | 93.7 | Very high | 73 Ų | 73 | 52.3 Ų | 52.3 | 75% | 0.753 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74 | -2.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q169 | Q169-G171 PolarHBondContact O-N 3.49Å; Q169-G171 VanDerWaalsContact O-N 3.08Å |
| 172 | Q | 89.6 | Confident | 93.8 | Very high | 134 Ų | 134 | 52.6 Ų | 52.6 | 63% | 0.626 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 135.7 | 174.3 | -60.9 | -166.9 | 5.4 | 0 | 0 | 111.2 | S168 Q169 D170 L174 | S168-Q172 CarbonylContact C-O 3.46Å; S168-Q172 WeakPolarHBondContact CA-O 3.45Å; S168-Q172 WeakPolarHBondContact CB-O 3.17Å; Q169-Q172 PolarHBondContact N-O 3.01Å; Q169-Q172 WeakPolarHBondContact O-CB 3.31Å; Q169-Q172 PolarHBondContact O-N 3.25Å; D170-Q172 PolarHBondContact O-N 2.91Å; Q172-L174 WeakPolarHBondContact O-CD1 3.37Å; Q172-L174 PolarHBondContact O-N 3.05Å |
| 173 | F | 91.1 | Very high | 93.8 | Very high | 95 Ų | 95 | 50.7 Ų | 50.7 | 42% | 0.417 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 126.4 | 177.5 | 172.2 | -106.1 | 0 | 0 | 0 | 112.1 | R166 H175 Y176 | R166-F173 HydrophobicContact CB-CD2 4.27Å; R166-F173 HydrophobicContact CB-CE2 4.11Å; F173-H175 VanDerWaalsContact CE2-C 3.47Å; F173-H175 WeakPolarHBondContact CE2-O 3.48Å; F173-H175 VanDerWaalsContact CZ-C 3.49Å; F173-Y176 HydrophobicContact CE1-CE2 4.27Å; F173-Y176 AromaticContact CE2-CD1 3.88Å; F173-Y176 HydrophobicContact CE2-CD1 3.88Å; F173-Y176 HydrophobicContact CE2-CD2 4.14Å; F173-Y176 AromaticContact CE2-CE1 3.68Å; F173-Y176 HydrophobicContact CE2-CE1 3.68Å; F173-Y176 AromaticContact CE2-CE2 3.97Å; F173-Y176 HydrophobicContact CE2-CE2 3.97Å; F173-Y176 HydrophobicContact CE2-CG 4.08Å; F173-Y176 AromaticContact CE2-CZ 3.72Å; F173-Y176 HydrophobicContact CZ-CD1 4.14Å; F173-Y176 AromaticContact CZ-CD2 3.55Å; F173-Y176 HydrophobicContact CZ-CD2 3.55Å; F173-Y176 HydrophobicContact CZ-CE1 4.03Å; F173-Y176 AromaticContact CZ-CE2 3.43Å; F173-Y176 HydrophobicContact CZ-CE2 3.43Å; F173-Y176 VanDerWaalsContact CZ-CE2 3.43Å; F173-Y176 AromaticContact CZ-CG 3.89Å; F173-Y176 HydrophobicContact CZ-CG 3.89Å; F173-Y176 AromaticContact CZ-CZ 3.69Å |
| 174 | L | 89.9 | Confident | 93.8 | Very high | 34 Ų | 34 | 49.6 Ų | 49.6 | 18% | 0.178 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | -65.3 | 176 | -85.6 | 78.1 | 0 | 0 | 0 | 111.5 | V167 Q169 Q172 L248 K251 | V167-L174 HydrophobicContact CB-CB 4.47Å; V167-L174 HydrophobicContact CG1-CB 4.41Å; V167-L174 PolarHBondContact O-N 3.05Å; Q169-L174 HydrophobicContact CB-CD1 3.44Å; Q169-L174 VanDerWaalsContact CB-CD1 3.44Å; Q172-L174 WeakPolarHBondContact O-CD1 3.37Å; Q172-L174 PolarHBondContact O-N 3.05Å; L174-L248 HydrophobicContact CB-CD2 4.18Å; L174-L248 HydrophobicContact CD2-CD2 4.29Å; L174-L248 HydrophobicContact CG-CD2 4.4Å; L174-K251 WeakPolarHBondContact O-CD 3.4Å; L174-K251 PolarHBondContact O-NZ 2.9Å |
| 175 | H | 92.6 | Very high | 93.7 | Very high | 17 Ų | 17 | 46.1 Ų | 46.1 | 8% | 0.079 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.1 | 169.3 | -176.6 | 65.8 | -73.6 | 0 | 0 | 0 | 111.8 | V167 F173 T247 | V167-H175 PolarHBondContact N-O 3.49Å; F173-H175 VanDerWaalsContact CE2-C 3.47Å; F173-H175 WeakPolarHBondContact CE2-O 3.48Å; F173-H175 VanDerWaalsContact CZ-C 3.49Å; H175-T247 HydrophobicContact CB-CG2 4.49Å |
| 176 | Y | 94.6 | Very high | 93.5 | Very high | 78 Ų | 78 | 48.5 Ų | 48.5 | 31% | 0.306 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 144 | 171 | -69.6 | -63.5 | 0 | 0 | 0 | 110.1 | R164 V165 R166 F173 E206 | R164-Y176 HydrophobicContact CG-CD1 3.95Å; R164-Y176 HydrophobicContact CG-CG 4.17Å; V165-Y176 CarbonylContact O-C 3.57Å; V165-Y176 WeakPolarHBondContact O-CA 3.36Å; R166-Y176 HydrophobicContact CB-CD1 3.99Å; R166-Y176 HydrophobicContact CB-CE1 3.76Å; F173-Y176 HydrophobicContact CE1-CE2 4.27Å; F173-Y176 AromaticContact CE2-CD1 3.88Å; F173-Y176 HydrophobicContact CE2-CD1 3.88Å; F173-Y176 HydrophobicContact CE2-CD2 4.14Å; F173-Y176 AromaticContact CE2-CE1 3.68Å; F173-Y176 HydrophobicContact CE2-CE1 3.68Å; F173-Y176 AromaticContact CE2-CE2 3.97Å; F173-Y176 HydrophobicContact CE2-CE2 3.97Å; F173-Y176 HydrophobicContact CE2-CG 4.08Å; F173-Y176 AromaticContact CE2-CZ 3.72Å; F173-Y176 HydrophobicContact CZ-CD1 4.14Å; F173-Y176 AromaticContact CZ-CD2 3.55Å; F173-Y176 HydrophobicContact CZ-CD2 3.55Å; F173-Y176 HydrophobicContact CZ-CE1 4.03Å; F173-Y176 AromaticContact CZ-CE2 3.43Å; F173-Y176 HydrophobicContact CZ-CE2 3.43Å; F173-Y176 VanDerWaalsContact CZ-CE2 3.43Å; F173-Y176 AromaticContact CZ-CG 3.89Å; F173-Y176 HydrophobicContact CZ-CG 3.89Å; F173-Y176 AromaticContact CZ-CZ 3.69Å; Y176-E206 WeakPolarHBondContact CE1-OE2 3.34Å |
| 177 | I | 96.4 | Very high | 93.3 | Very high | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 128.9 | 168.1 | -55.2 | -178.3 | 0 | 0 | 0 | 107.4 | L160 V165 V167 Q181 M183 L203 | L160-I177 HydrophobicContact CD2-CG2 4.23Å; L160-I177 WeakPolarHBondContact CD2-O 3.4Å; V165-I177 HydrophobicContact CB-CB 4.32Å; V165-I177 PolarHBondContact N-O 3.32Å; V165-I177 VanDerWaalsContact N-O 3.15Å; V165-I177 PolarHBondContact O-N 2.87Å; V167-I177 HydrophobicContact CG2-CD1 3.56Å; V167-I177 HydrophobicContact CG2-CG1 3.67Å; I177-Q181 HydrophobicContact CG2-CB 3.82Å; I177-M183 WeakPolarHBondContact CD1-O 3.4Å; I177-L203 HydrophobicContact CD1-CD2 3.87Å |
| 178 | F | 95.3 | Very high | 93.1 | Very high | 98 Ų | 98 | 45.9 Ų | 45.9 | 43% | 0.43 | 24% | 0.242 | S | C | . | . | trans | -105.5 | 165.6 | -176 | -68.7 | -75.1 | 0 | 0 | 0 | 112 | R164 Y180 Q181 | R164-F178 HydrophobicContact CG-CD1 4.16Å; R164-F178 HydrophobicContact CG-CE1 4.06Å; F178-Y180 PolarHBondContact O-N 3.4Å; F178-Q181 VanDerWaalsContact O-CB 3.31Å; F178-Q181 WeakPolarHBondContact O-CB 3.43Å; F178-Q181 PolarHBondContact O-N 2.92Å; F178-Q181 VanDerWaalsContact O-N 3.17Å | ||
| 179 | P | 95.3 | Very high | 93 | Very high | 47 Ų | 47 | 50.1 Ų | 50.1 | 31% | 0.305 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | 140.9 | 176.8 | -30.6 | 39.3 | 0 | 0 | 0 | 112.9 | L161 G163 Q181 | L161-P179 WeakPolarHBondContact O-CB 3.06Å; G163-P179 VanDerWaalsContact O-CD 3.31Å; G163-P179 WeakPolarHBondContact O-CD 3.42Å; G163-P179 WeakPolarHBondContact O-CG 3.42Å; P179-Q181 VanDerWaalsContact C-N 3.27Å; P179-Q181 PolarHBondContact O-N 2.91Å |
| 180 | Y | 94.2 | Very high | 92.7 | Very high | 39 Ų | 39 | 49.8 Ų | 49.8 | 15% | 0.153 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.2 | 21.5 | -175.5 | -43.7 | -75.6 | 0 | 0 | 0 | 115.4 | L110 L111 T114 L160 F178 | L110-Y180 WeakPolarHBondContact CD2-OH 3.49Å; L110-Y180 VanDerWaalsContact CG-OH 3.22Å; L110-Y180 WeakPolarHBondContact CG-OH 3.4Å; L111-Y180 HydrophobicContact CD1-CD1 3.99Å; L111-Y180 HydrophobicContact CD1-CE1 4.41Å; T114-Y180 HydrophobicContact CG2-CD1 3.74Å; T114-Y180 HydrophobicContact CG2-CD2 3.69Å; T114-Y180 HydrophobicContact CG2-CE1 4.06Å; T114-Y180 HydrophobicContact CG2-CE2 4Å; T114-Y180 HydrophobicContact CG2-CG 3.55Å; L160-Y180 WeakPolarHBondContact O-CA 3.4Å; L160-Y180 PolarHBondContact O-N 2.87Å; F178-Y180 PolarHBondContact O-N 3.4Å |
| 181 | Q | 95.3 | Very high | 92.5 | Very high | 27 Ų | 27 | 44.7 Ų | 44.7 | 13% | 0.126 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -108.4 | 151.8 | 167.8 | -64.4 | 179.3 | -20.1 | 0 | 0 | 110.5 | L160 I177 F178 P179 D240 E243 | L160-Q181 PolarHBondContact N-O 3.42Å; I177-Q181 HydrophobicContact CG2-CB 3.82Å; F178-Q181 VanDerWaalsContact O-CB 3.31Å; F178-Q181 WeakPolarHBondContact O-CB 3.43Å; F178-Q181 PolarHBondContact O-N 2.92Å; F178-Q181 VanDerWaalsContact O-N 3.17Å; P179-Q181 VanDerWaalsContact C-N 3.27Å; P179-Q181 PolarHBondContact O-N 2.91Å; Q181-D240 WeakPolarHBondContact CA-OD1 3.26Å; Q181-D240 WeakPolarHBondContact CB-OD1 3.46Å; Q181-E243 PolarHBondContact NE2-OE1 3.35Å |
| 182 | F | 96.8 | Very high | 92.2 | Very high | 9 Ų | 9 | 47.3 Ų | 47.3 | 4% | 0.039 | 23% | 0.232 | C | C | . | . | B | Isolated β-bridge | trans | -73.8 | 144.7 | 176.5 | -74.7 | -85.1 | 0 | 0 | 0 | 109.9 | L157 S158 L159 W214 F233 L236 L237 D240 K244 | L157-F182 HydrophobicContact CD1-CD1 3.81Å; L157-F182 HydrophobicContact CD1-CE1 4.29Å; L157-F182 HydrophobicContact CD2-CD1 4.13Å; L157-F182 HydrophobicContact CD2-CE1 3.74Å; L157-F182 HydrophobicContact CG-CD1 3.88Å; L157-F182 HydrophobicContact CG-CE1 3.96Å; S158-F182 WeakPolarHBondContact O-CA 3.34Å; L159-F182 HydrophobicContact CB-CD1 4.27Å; L159-F182 HydrophobicContact CB-CE1 4.25Å; L159-F182 HydrophobicContact CD1-CD1 3.94Å; L159-F182 HydrophobicContact CD1-CD2 3.85Å; L159-F182 HydrophobicContact CD1-CE1 3.96Å; L159-F182 HydrophobicContact CD1-CE2 3.86Å; L159-F182 HydrophobicContact CD1-CG 3.89Å; L159-F182 HydrophobicContact CD1-CZ 3.93Å; F182-W214 HydrophobicContact CE1-CZ3 4.1Å; F182-F233 HydrophobicContact CZ-CE1 4.49Å; F182-L236 HydrophobicContact CE2-CB 4.06Å; F182-L237 HydrophobicContact CD1-CD2 4.15Å; F182-L237 HydrophobicContact CD2-CD2 4.13Å; F182-L237 HydrophobicContact CE1-CD2 4.28Å; F182-L237 HydrophobicContact CE2-CD2 4.26Å; F182-L237 HydrophobicContact CG-CD2 4.07Å; F182-L237 HydrophobicContact CZ-CD2 4.33Å; F182-D240 HydrophobicContact CD2-CB 4.07Å; F182-D240 PolarHBondContact N-OD1 3.08Å; F182-K244 WeakPolarHBondContact O-CE 3.48Å; F182-K244 PolarHBondContact O-NZ 3.21Å |
| 183 | M | 95.3 | Very high | 91.7 | Very high | 3 Ų | 3 | 45.2 Ų | 45.2 | 2% | 0.015 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -83 | -40.9 | 177.8 | -65.5 | -176.7 | 62 | 0 | 0 | 111.1 | Y146 S158 L160 V165 I177 L203 Y211 | Y146-M183 HydrophobicContact CD1-CE 3.66Å; Y146-M183 HydrophobicContact CD2-CE 3.83Å; Y146-M183 HydrophobicContact CE1-CB 4.4Å; Y146-M183 HydrophobicContact CE1-CE 4.22Å; Y146-M183 HydrophobicContact CE2-CE 4.38Å; Y146-M183 HydrophobicContact CG-CE 3.44Å; Y146-M183 VanDerWaalsContact CG-CE 3.44Å; S158-M183 PolarHBondContact O-N 3Å; L160-M183 HydrophobicContact CB-CG 4.23Å; L160-M183 HydrophobicContact CB-SD 4.46Å; L160-M183 HydrophobicContact CD1-SD 4.29Å; V165-M183 HydrophobicContact CB-CE 4.47Å; V165-M183 HydrophobicContact CG1-CE 4.1Å; V165-M183 HydrophobicContact CG2-CE 3.89Å; I177-M183 WeakPolarHBondContact CD1-O 3.4Å; M183-L203 HydrophobicContact CB-CD2 4.05Å; M183-L203 HydrophobicContact CE-CD2 4.15Å; M183-L203 WeakPolarHBondContact O-CD2 3.47Å; M183-Y211 HydrophobicContact SD-CD2 4.47Å; M183-Y211 HydrophobicContact SD-CG 4.27Å |
| 184 | D | 94.2 | Very high | 91.1 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -128.5 | 29.9 | -165.2 | 49.9 | 3.4 | 0 | 0 | 0 | 112.4 | Y146 L157 S158 E187 W188 F199 | Y146-D184 PolarHBondContact OH-OD2 3.06Å; L157-D184 WeakPolarHBondContact CA-OD1 3.35Å; L157-D184 WeakPolarHBondContact CD1-OD1 3.37Å; S158-D184 PolarHBondContact N-OD1 3.22Å; S158-D184 PolarHBondContact N-OD2 2.91Å; D184-E187 VanDerWaalsContact CA-OE2 3.23Å; D184-E187 WeakPolarHBondContact CA-OE2 3.46Å; D184-E187 HydrophobicContact CB-CB 4.47Å; D184-E187 PolarHBondContact O-N 3.45Å; D184-W188 VanDerWaalsContact O-CB 3.27Å; D184-W188 WeakPolarHBondContact O-CB 3.3Å; D184-W188 PolarHBondContact O-N 3.2Å; D184-F199 HydrophobicContact CB-CE1 3.63Å; D184-F199 HydrophobicContact CB-CZ 3.61Å |
| 185 | S | 94.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.5 | -41.8 | 178.6 | 47.4 | 0 | 0 | 0 | 0 | 114.2 | W188 E189 D240 K244 | S185-W188 PolarHBondContact O-N 3.23Å; S185-E189 PolarHBondContact O-N 2.9Å; S185-D240 PolarHBondContact OG-OD2 2.93Å; S185-K244 PolarHBondContact OG-NZ 2.95Å |
| 186 | P | 92 | Very high | 90.7 | Very high | 50 Ų | 50 | 57.1 Ų | 57.1 | 33% | 0.325 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.4 | -42.8 | 174.2 | -20 | 33.7 | 0 | 0 | 0 | 112.2 | W188 E189 S190 K244 | P186-W188 VanDerWaalsContact C-N 3.32Å; P186-W188 PolarHBondContact O-N 3.18Å; P186-E189 PolarHBondContact O-N 3.16Å; P186-S190 VanDerWaalsContact O-CB 3.29Å; P186-S190 WeakPolarHBondContact O-CB 3.27Å; P186-S190 PolarHBondContact O-N 3.24Å; P186-S190 PolarHBondContact O-OG 3.39Å; P186-K244 HydrophobicContact CG-CD 4.27Å |
| 187 | E | 92.1 | Very high | 90.4 | Very high | 21 Ų | 21 | 54.4 Ų | 54.4 | 10% | 0.098 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.9 | -41.9 | 179.7 | -67.9 | 75 | -163.5 | 0 | 0 | 110.7 | I154 D184 S190 F199 V201 | I154-E187 HydrophobicContact CD1-CB 3.75Å; I154-E187 HydrophobicContact CD1-CG 4.11Å; I154-E187 HydrophobicContact CG1-CB 4.04Å; I154-E187 HydrophobicContact CG1-CG 4.46Å; I154-E187 HydrophobicContact CG2-CB 4.08Å; D184-E187 VanDerWaalsContact CA-OE2 3.23Å; D184-E187 WeakPolarHBondContact CA-OE2 3.46Å; D184-E187 HydrophobicContact CB-CB 4.47Å; D184-E187 PolarHBondContact O-N 3.45Å; E187-S190 PolarHBondContact O-N 3.41Å; E187-S190 PolarHBondContact O-OG 3.06Å; E187-F199 HydrophobicContact CB-CE1 4.37Å; E187-F199 HydrophobicContact CG-CD1 3.78Å; E187-F199 HydrophobicContact CG-CE1 3.9Å; E187-F199 HydrophobicContact CG-CG 4.4Å; E187-V201 WeakPolarHBondContact OE1-CG2 3.12Å |
| 188 | W | 91.1 | Very high | 90.3 | Very high | 8 Ų | 8 | 57.6 Ų | 57.6 | 3% | 0.03 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.6 | -51 | 176.8 | 174.9 | -92 | 0 | 0 | 0 | 113.1 | L157 D184 S185 P186 S190 R216 L219 H220 L223 | L157-W188 HydrophobicContact CB-CD2 4.14Å; L157-W188 HydrophobicContact CB-CE3 3.7Å; L157-W188 HydrophobicContact CB-CZ3 4.02Å; L157-W188 HydrophobicContact CD1-CB 3.76Å; L157-W188 HydrophobicContact CD1-CD2 4.24Å; L157-W188 HydrophobicContact CD1-CE3 4.49Å; L157-W188 HydrophobicContact CD1-CG 3.9Å; D184-W188 VanDerWaalsContact O-CB 3.27Å; D184-W188 WeakPolarHBondContact O-CB 3.3Å; D184-W188 PolarHBondContact O-N 3.2Å; S185-W188 PolarHBondContact O-N 3.23Å; P186-W188 VanDerWaalsContact C-N 3.32Å; P186-W188 PolarHBondContact O-N 3.18Å; W188-S190 VanDerWaalsContact C-N 3.34Å; W188-R216 HydrophobicContact CE3-CG 4.31Å; W188-R216 VanDerWaalsContact CE3-NH1 3.33Å; W188-R216 HydrophobicContact CH2-CB 4.1Å; W188-R216 HydrophobicContact CH2-CG 3.74Å; W188-R216 HydrophobicContact CZ3-CB 3.57Å; W188-R216 HydrophobicContact CZ3-CG 3.42Å; W188-R216 VanDerWaalsContact CZ3-CG 3.42Å; W188-R216 PolarHBondContact O-NH1 3.23Å; W188-R216 VanDerWaalsContact O-NH1 3.13Å; W188-L219 HydrophobicContact CH2-CB 4.1Å; W188-L219 HydrophobicContact CH2-CD2 3.84Å; W188-L219 HydrophobicContact CH2-CG 4.25Å; W188-L219 HydrophobicContact CZ2-CD2 3.95Å; W188-L219 HydrophobicContact CZ2-CG 4.39Å; W188-L219 HydrophobicContact CZ3-CD2 4.38Å; W188-H220 AromaticContact CH2-CD2 3.57Å; W188-H220 AromaticContact CH2-CE1 3.98Å; W188-H220 AromaticContact CH2-NE2 3.48Å; W188-H220 WeakPolarHBondContact CH2-NE2 3.42Å; W188-H220 AromaticContact CZ2-CD2 3.8Å; W188-H220 AromaticContact CZ2-CE1 3.4Å; W188-H220 WeakPolarHBondContact CZ2-CE1 3.37Å; W188-H220 AromaticContact CZ2-ND1 3.88Å; W188-H220 AromaticContact CZ2-NE2 3.36Å; W188-H220 WeakPolarHBondContact CZ2-NE2 3.06Å; W188-L223 HydrophobicContact CZ2-CD1 4.34Å |
| 189 | E | 91.2 | Very high | 90.2 | Very high | 105 Ų | 105 | 53 Ų | 53 | 49% | 0.491 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -74.3 | -23.5 | -177.6 | -73.2 | -63.9 | 128.4 | 0 | 0 | 112.8 | S185 P186 L191 L237 I241 | S185-E189 PolarHBondContact O-N 2.9Å; P186-E189 PolarHBondContact O-N 3.16Å; E189-L191 VanDerWaalsContact C-N 3.29Å; E189-L191 PolarHBondContact O-N 3.42Å; E189-L237 WeakPolarHBondContact OE1-CD1 3.18Å; E189-I241 HydrophobicContact CB-CD1 3.99Å; E189-I241 HydrophobicContact CG-CD1 3.53Å |
| 190 | S | 86.6 | Confident | 90.1 | Very high | 74 Ų | 74 | 57 Ų | 57 | 52% | 0.517 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -69.6 | -25.2 | -179.7 | 71 | 0 | 0 | 0 | 0 | 114 | P186 E187 W188 | P186-S190 VanDerWaalsContact O-CB 3.29Å; P186-S190 WeakPolarHBondContact O-CB 3.27Å; P186-S190 PolarHBondContact O-N 3.24Å; P186-S190 PolarHBondContact O-OG 3.39Å; E187-S190 PolarHBondContact O-N 3.41Å; E187-S190 PolarHBondContact O-OG 3.06Å; W188-S190 VanDerWaalsContact C-N 3.34Å |
| 191 | L | 87.4 | Confident | 90.1 | Very high | 23 Ų | 23 | 55.9 Ų | 55.9 | 12% | 0.12 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -106.7 | 140.2 | -174.4 | -68.8 | 177.9 | 0 | 0 | 0 | 111.8 | I154 E189 E195 R216 | I154-L191 HydrophobicContact CB-CD1 3.59Å; I154-L191 HydrophobicContact CD1-CD1 3.59Å; I154-L191 HydrophobicContact CD1-CG 4.29Å; I154-L191 HydrophobicContact CG1-CD1 4.17Å; I154-L191 HydrophobicContact CG2-CD1 3.78Å; E189-L191 VanDerWaalsContact C-N 3.29Å; E189-L191 PolarHBondContact O-N 3.42Å; L191-E195 HydrophobicContact CD2-CB 4.4Å; L191-E195 HydrophobicContact CD2-CG 3.98Å; L191-R216 VanDerWaalsContact C-NH2 3.33Å; L191-R216 VanDerWaalsContact CB-NH2 3.25Å; L191-R216 PolarHBondContact O-NH2 2.89Å |
| 192 | Q | 81.4 | Confident | 90.2 | Very high | 129 Ų | 129 | 55.9 Ų | 55.9 | 60% | 0.603 | 31% | 0.307 | S | S | * | . | trans | -68.9 | 157.7 | 167.2 | -63.9 | -167.8 | 32.1 | 0 | 0 | 111.5 | S194 E195 R216 | Q192-S194 PolarHBondContact O-N 3.03Å; Q192-S194 VanDerWaalsContact O-N 3.11Å; Q192-E195 HydrophobicContact CB-CB 4.17Å; Q192-E195 PolarHBondContact N-OE2 3.38Å; Q192-E195 PolarHBondContact O-N 3.15Å; Q192-R216 VanDerWaalsContact C-NH2 3.35Å; Q192-R216 PolarHBondContact O-NH2 2.87Å | ||
| 193 | P | 78.8 | Confident | 90.2 | Very high | 89 Ų | 89 | 55.5 Ų | 55.5 | 58% | 0.578 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -27.3 | -178.3 | -26.2 | 34.5 | 0 | 0 | 0 | 114.9 | ||
| 194 | S | 78.1 | Confident | 90.3 | Very high | 111 Ų | 111 | 55.6 Ų | 55.6 | 78% | 0.776 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -4.7 | 178.9 | 56.3 | 0 | 0 | 0 | 0 | 114.3 | Q192 | Q192-S194 PolarHBondContact O-N 3.03Å; Q192-S194 VanDerWaalsContact O-N 3.11Å |
| 195 | E | 86.7 | Confident | 90.5 | Very high | 97 Ų | 97 | 55.6 Ų | 55.6 | 45% | 0.453 | 31% | 0.306 | S | S | . | . | trans | -94.9 | 139.5 | -175 | -166.6 | 174.6 | -174.4 | 0 | 0 | 110.4 | L191 Q192 | L191-E195 HydrophobicContact CD2-CB 4.4Å; L191-E195 HydrophobicContact CD2-CG 3.98Å; Q192-E195 HydrophobicContact CB-CB 4.17Å; Q192-E195 PolarHBondContact N-OE2 3.38Å; Q192-E195 PolarHBondContact O-N 3.15Å | ||
| 196 | E | 87.4 | Confident | 90.5 | Very high | 188 Ų | 188 | 58.3 Ų | 58.3 | 88% | 0.879 | 32% | 0.319 | S | S | * | . | trans | -100.8 | 137.5 | 173.1 | -65.5 | -177.2 | 175.3 | 0 | 0 | 108.7 | ||||
| 197 | G | 89.1 | Confident | 90.7 | Very high | 22 Ų | 22 | 58.2 Ų | 58.2 | 23% | 0.227 | 32% | 0.318 | C | S | . | . | trans | -149.2 | 168.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | P153 I154 | P153-G197 WeakPolarHBondContact CA-O 3.13Å; I154-G197 PolarHBondContact N-O 2.84Å | ||
| 198 | V | 93.6 | Very high | 90.9 | Very high | 69 Ų | 69 | 61.2 Ų | 61.2 | 42% | 0.418 | 34% | 0.341 | S | S | . | . | B | Isolated β-bridge | trans | -114.1 | 154 | 178 | -66 | 0 | 0 | 0 | 0 | 110.2 | T152 I154 Q200 | T152-V198 CarbonylContact O-C 3.59Å; T152-V198 VanDerWaalsContact O-CA 3.24Å; T152-V198 WeakPolarHBondContact O-CA 3.39Å; I154-V198 VanDerWaalsContact CD1-O 3.28Å; I154-V198 WeakPolarHBondContact CD1-O 3.37Å; V198-Q200 PolarHBondContact O-N 3.48Å |
| 199 | F | 93.8 | Very high | 91.1 | Very high | 1 Ų | 1 | 60.9 Ų | 60.9 | 0% | 0.004 | 34% | 0.34 | C | S | . | . | trans | -59 | 133.7 | 174.7 | -85 | -99.9 | 0 | 0 | 0 | 110.3 | Y146 A147 E149 G150 T152 I154 D184 E187 L203 | Y146-F199 HydrophobicContact CE1-CE1 4.18Å; Y146-F199 AromaticContact CE1-CZ 3.93Å; Y146-F199 HydrophobicContact CE1-CZ 3.93Å; A147-F199 HydrophobicContact CB-CB 4.18Å; A147-F199 HydrophobicContact CB-CD1 3.61Å; A147-F199 HydrophobicContact CB-CD2 3.87Å; A147-F199 HydrophobicContact CB-CE1 3.9Å; A147-F199 HydrophobicContact CB-CE2 4.13Å; A147-F199 HydrophobicContact CB-CG 3.6Å; A147-F199 HydrophobicContact CB-CZ 4.15Å; E149-F199 CarbonylContact C-O 3.51Å; E149-F199 WeakPolarHBondContact CA-O 3.48Å; G150-F199 PolarHBondContact N-O 3.21Å; T152-F199 HydrophobicContact CG2-CD2 3.78Å; T152-F199 HydrophobicContact CG2-CE2 4.02Å; T152-F199 WeakPolarHBondContact O-CD2 3.47Å; T152-F199 PolarHBondContact O-N 3.41Å; I154-F199 HydrophobicContact CB-CE2 4.45Å; I154-F199 HydrophobicContact CG1-CD2 3.74Å; I154-F199 HydrophobicContact CG1-CE2 3.91Å; I154-F199 HydrophobicContact CG1-CG 4.33Å; D184-F199 HydrophobicContact CB-CE1 3.63Å; D184-F199 HydrophobicContact CB-CZ 3.61Å; E187-F199 HydrophobicContact CB-CE1 4.37Å; E187-F199 HydrophobicContact CG-CD1 3.78Å; E187-F199 HydrophobicContact CG-CE1 3.9Å; E187-F199 HydrophobicContact CG-CG 4.4Å; F199-L203 HydrophobicContact CD1-CD1 3.68Å; F199-L203 HydrophobicContact CE1-CD1 3.84Å | ||
| 200 | Q | 93.3 | Very high | 91.3 | Very high | 131 Ų | 131 | 56.4 Ų | 56.4 | 61% | 0.612 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -93.6 | -1.5 | 176.6 | -62.3 | -179.3 | 14.6 | 0 | 0 | 112.6 | V198 | V198-Q200 PolarHBondContact O-N 3.48Š|
| 201 | V | 94.1 | Very high | 91.7 | Very high | 16 Ų | 16 | 54.2 Ų | 54.2 | 10% | 0.097 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -137.8 | 151.5 | 179.1 | -62.5 | 0 | 0 | 0 | 0 | 109.3 | V167 Q169 E187 L203 | V167-V201 HydrophobicContact CG1-CB 3.82Å; V167-V201 HydrophobicContact CG1-CG1 4.24Å; V167-V201 HydrophobicContact CG1-CG2 3.74Å; Q169-V201 HydrophobicContact CB-CG1 4.21Å; E187-V201 WeakPolarHBondContact OE1-CG2 3.12Å; V201-L203 HydrophobicContact CG2-CD1 3.83Å |
| 202 | T | 96.4 | Very high | 92.1 | Very high | 26 Ų | 26 | 53.1 Ų | 53.1 | 16% | 0.16 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 128.3 | 171.7 | -61.9 | 0 | 0 | 0 | 0 | 109.5 | T145 A147 E149 V167 S168 | T145-T202 HydrophobicContact CG2-CG2 4.31Å; A147-T202 CarbonylContact O-C 3.52Å; A147-T202 WeakPolarHBondContact O-CA 3.5Å; A147-T202 WeakPolarHBondContact O-CG2 3.23Å; E149-T202 WeakPolarHBondContact CB-OG1 3.41Å; E149-T202 PolarHBondContact N-OG1 2.97Å; E149-T202 VanDerWaalsContact N-OG1 3.1Å; V167-T202 WeakPolarHBondContact CA-O 3.44Å; S168-T202 PolarHBondContact N-O 2.91Å; S168-T202 PolarHBondContact O-N 3.35Å; S168-T202 PolarHBondContact OG-O 2.89Å |
| 203 | L | 97.2 | Very high | 92.7 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 120.1 | 175.4 | -69.1 | 94.9 | 0 | 0 | 0 | 109.3 | T145 Y146 A147 V165 R166 V167 I177 M183 F199 V201 | T145-L203 CarbonylContact C-O 3.54Å; T145-L203 WeakPolarHBondContact CA-O 3.31Å; Y146-L203 HydrophobicContact CD1-CB 4.1Å; Y146-L203 HydrophobicContact CD1-CD1 4.4Å; Y146-L203 HydrophobicContact CD1-CD2 4.15Å; Y146-L203 HydrophobicContact CD1-CG 4.46Å; Y146-L203 PolarHBondContact N-O 3.35Å; A147-L203 HydrophobicContact CB-CD1 3.87Å; A147-L203 PolarHBondContact O-N 3.45Å; V165-L203 HydrophobicContact CG1-CB 3.97Å; V165-L203 HydrophobicContact CG1-CD2 4.26Å; R166-L203 WeakPolarHBondContact O-CA 3.29Å; V167-L203 HydrophobicContact CG2-CD2 4.46Å; V167-L203 HydrophobicContact CG2-CG 4.4Å; I177-L203 HydrophobicContact CD1-CD2 3.87Å; M183-L203 HydrophobicContact CB-CD2 4.05Å; M183-L203 HydrophobicContact CE-CD2 4.15Å; M183-L203 WeakPolarHBondContact O-CD2 3.47Å; F199-L203 HydrophobicContact CD1-CD1 3.68Å; F199-L203 HydrophobicContact CE1-CD1 3.84Å; V201-L203 HydrophobicContact CG2-CD1 3.83Å |
| 204 | T | 97.2 | Very high | 93.5 | Very high | 6 Ų | 6 | 43.9 Ų | 43.9 | 4% | 0.037 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 135.4 | 179.2 | -39.8 | 0 | 0 | 0 | 0 | 111.1 | E143 T145 V165 R166 E206 | E143-T204 WeakPolarHBondContact O-CG2 3.48Å; T145-T204 HydrophobicContact CG2-CG2 4.09Å; V165-T204 CarbonylContact C-O 3.55Å; V165-T204 WeakPolarHBondContact CA-O 3.49Å; V165-T204 WeakPolarHBondContact CG1-O 3.45Å; R166-T204 WeakPolarHBondContact CG-O 3.41Å; R166-T204 PolarHBondContact N-O 2.97Å; R166-T204 PolarHBondContact O-N 3.13Å; T204-E206 PolarHBondContact O-N 2.94Å |
| 205 | A | 97.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 121.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | L140 A141 E143 Q144 T207 | L140-A205 HydrophobicContact CB-CB 4.41Å; L140-A205 HydrophobicContact CD2-CB 3.53Å; L140-A205 HydrophobicContact CG-CB 3.72Å; A141-A205 WeakPolarHBondContact O-CB 3.4Å; E143-A205 VanDerWaalsContact CA-O 3.3Å; E143-A205 WeakPolarHBondContact CA-O 3.38Å; E143-A205 PolarHBondContact N-O 2.98Å; Q144-A205 PolarHBondContact O-N 3.41Å; A205-T207 WeakPolarHBondContact CB-O 3.45Å |
| 206 | E | 95.4 | Very high | 94.6 | Very high | 57 Ų | 57 | 36.7 Ų | 36.7 | 27% | 0.266 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -82.3 | -28.3 | 169.8 | -169.5 | -171.8 | -175.7 | 0 | 0 | 110.6 | T142 R164 Y176 T204 | T142-E206 WeakPolarHBondContact CG2-O 3.41Å; R164-E206 VanDerWaalsContact CD-OE2 3.25Å; R164-E206 WeakPolarHBondContact CD-OE2 3.33Å; R164-E206 IonicContact CZ-OE2 2.8Å; R164-E206 IonicContact NE-OE2 2.63Å; R164-E206 IonicContact NH1-OE1 3.87Å; R164-E206 PolarHBondContact NH1-OE1 3.27Å; R164-E206 IonicContact NH1-OE2 3.05Å; R164-E206 PolarHBondContact NH1-OE2 2.95Å; R164-E206 PolarHBondContact O-N 3.46Å; Y176-E206 WeakPolarHBondContact CE1-OE2 3.34Å; T204-E206 PolarHBondContact O-N 2.94Å |
| 207 | T | 96.4 | Very high | 94.8 | Very high | 49 Ų | 49 | 36.8 Ų | 36.8 | 30% | 0.301 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -128.2 | 171 | 174.8 | 68.5 | 0 | 0 | 0 | 0 | 110.3 | G163 R164 A205 C209 | G163-T207 WeakPolarHBondContact CA-OG1 3.48Å; R164-T207 PolarHBondContact N-OG1 2.94Å; R164-T207 PolarHBondContact O-N 3.29Å; A205-T207 WeakPolarHBondContact CB-O 3.45Å; T207-C209 PolarHBondContact O-N 3.09Å; T207-C209 PolarHBondContact O-SG 3.27Å |
| 208 | S | 95.9 | Very high | 94.9 | Very high | 83 Ų | 83 | 38.5 Ų | 38.5 | 58% | 0.58 | 21% | 0.209 | S | C | * | . | trans | -54.9 | 125.6 | 163.1 | -175.9 | 0 | 0 | 0 | 0 | 108.9 | T142 | T142-S208 PolarHBondContact OG1-N 3.1Š| ||
| 209 | C | 96 | Very high | 95 | Very high | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.014 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 148.8 | -176.9 | -63.1 | 0 | 0 | 0 | 0 | 110.9 | T139 L140 L160 S162 R164 T207 | T139-C209 WeakPolarHBondContact CA-O 3.42Å; L140-C209 HydrophobicContact CB-CB 4.18Å; L140-C209 PolarHBondContact N-O 3.28Å; L140-C209 PolarHBondContact O-N 3.12Å; L160-C209 HydrophobicContact CD1-CB 3.84Å; S162-C209 VanDerWaalsContact O-CA 3.27Å; S162-C209 WeakPolarHBondContact O-CA 3.45Å; S162-C209 WeakPolarHBondContact O-CB 3.29Å; R164-C209 PolarHBondContact N-SG 2.97Å; R164-C209 PolarHBondContact O-SG 3.28Å; R164-C209 VanDerWaalsContact O-SG 3.41Å; T207-C209 PolarHBondContact O-N 3.09Å; T207-C209 PolarHBondContact O-SG 3.27Å |
| 210 | S | 94.9 | Very high | 95 | Very high | 10 Ų | 10 | 37.1 Ų | 37.1 | 7% | 0.07 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 141.6 | 165.4 | 62.4 | 0 | 0 | 0 | 0 | 109.3 | L138 L161 S162 | L138-S210 CarbonylContact O-C 3.55Å; L138-S210 VanDerWaalsContact O-CA 3.31Å; L138-S210 WeakPolarHBondContact O-CA 3.34Å; L161-S210 WeakPolarHBondContact CA-O 3.38Å; L161-S210 WeakPolarHBondContact CB-O 3.46Å; L161-S210 PolarHBondContact N-O 3.45Å; S162-S210 WeakPolarHBondContact CB-OG 3.33Å; S162-S210 PolarHBondContact N-O 3.44Å; S162-S210 VanDerWaalsContact N-O 3.14Å; S162-S210 PolarHBondContact N-OG 2.93Å; S162-S210 PolarHBondContact O-N 2.94Å; S162-S210 PolarHBondContact OG-N 3.19Å; S162-S210 PolarHBondContact OG-OG 3.3Å |
| 211 | Y | 95.3 | Very high | 95 | Very high | 29 Ų | 29 | 36.4 Ų | 36.4 | 11% | 0.114 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 159.3 | -178.7 | 70.9 | -83 | 0 | 0 | 0 | 111.3 | L138 L140 Y146 L159 M183 | L138-Y211 HydrophobicContact CB-CD1 4.02Å; L138-Y211 HydrophobicContact CB-CD2 4.27Å; L138-Y211 HydrophobicContact CB-CE1 3.56Å; L138-Y211 HydrophobicContact CB-CE2 3.86Å; L138-Y211 HydrophobicContact CB-CG 4.35Å; L138-Y211 VanDerWaalsContact CB-CZ 3.49Å; L138-Y211 HydrophobicContact CD1-CD2 4.41Å; L138-Y211 HydrophobicContact CD1-CE2 3.58Å; L138-Y211 HydrophobicContact CG-CE2 4.33Å; L138-Y211 PolarHBondContact N-O 3.33Å; L138-Y211 PolarHBondContact O-N 3.48Å; L140-Y211 HydrophobicContact CB-CD1 4.45Å; L140-Y211 HydrophobicContact CB-CE1 4.17Å; Y146-Y211 HydrophobicContact CD2-CE2 4.12Å; Y146-Y211 AromaticContact CD2-CZ 3.98Å; Y146-Y211 HydrophobicContact CE2-CD2 4.42Å; Y146-Y211 AromaticContact CE2-CE2 3.73Å; Y146-Y211 HydrophobicContact CE2-CE2 3.73Å; L159-Y211 VanDerWaalsContact O-CA 3.28Å; L159-Y211 WeakPolarHBondContact O-CA 3.24Å; L159-Y211 VanDerWaalsContact O-CB 3.29Å; L159-Y211 WeakPolarHBondContact O-CB 3.46Å; M183-Y211 HydrophobicContact SD-CD2 4.47Å; M183-Y211 HydrophobicContact SD-CG 4.27Å |
| 212 | I | 95.4 | Very high | 95 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 151.3 | 170.3 | 57.3 | 177.4 | 0 | 0 | 0 | 109.5 | F108 L111 V137 S158 L159 L161 W214 | F108-I212 HydrophobicContact CE1-CG2 3.88Å; F108-I212 HydrophobicContact CZ-CG2 4.11Å; L111-I212 HydrophobicContact CD2-CD1 3.44Å; L111-I212 VanDerWaalsContact CD2-CD1 3.44Å; V137-I212 HydrophobicContact CG2-CG2 4.04Å; S158-I212 CarbonylContact C-O 3.54Å; S158-I212 WeakPolarHBondContact CA-O 3.1Å; S158-I212 WeakPolarHBondContact CB-O 3.24Å; L159-I212 HydrophobicContact CB-CD1 4.42Å; L159-I212 HydrophobicContact CB-CG1 3.91Å; L159-I212 HydrophobicContact CD2-CD1 4.23Å; L159-I212 HydrophobicContact CD2-CG1 4.48Å; L159-I212 PolarHBondContact N-O 2.89Å; L159-I212 PolarHBondContact O-N 3.47Å; L161-I212 HydrophobicContact CD1-CG2 3.7Å; L161-I212 HydrophobicContact CD2-CD1 4.49Å; L161-I212 HydrophobicContact CD2-CG1 4.48Å; L161-I212 HydrophobicContact CG-CG2 4.29Å; I212-W214 HydrophobicContact CD1-CH2 3.23Å; I212-W214 HydrophobicContact CD1-CZ2 3.49Å; I212-W214 VanDerWaalsContact CD1-CZ2 3.49Å; I212-W214 HydrophobicContact CD1-CZ3 4.03Å; I212-W214 HydrophobicContact CG1-CH2 3.69Å; I212-W214 HydrophobicContact CG1-CZ2 4.24Å; I212-W214 HydrophobicContact CG1-CZ3 3.98Å |
| 213 | S | 95 | Very high | 94.9 | Very high | 15 Ų | 15 | 36.2 Ų | 36.2 | 11% | 0.105 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 135.8 | -177.8 | -161.7 | 0 | 0 | 0 | 0 | 111 | C133 R156 L157 S158 | C133-S213 VanDerWaalsContact CB-O 3.31Å; C133-S213 WeakPolarHBondContact CB-O 3.17Å; R156-S213 VanDerWaalsContact CD-OG 3.3Å; R156-S213 WeakPolarHBondContact CD-OG 3.37Å; L157-S213 CarbonylContact O-C 3.49Å; L157-S213 WeakPolarHBondContact O-CA 3.41Å; L157-S213 PolarHBondContact O-OG 3.4Å; S158-S213 VanDerWaalsContact OG-CB 3.31Å; S158-S213 WeakPolarHBondContact OG-CB 3.33Å; S158-S213 PolarHBondContact OG-OG 2.9Å |
| 214 | W | 95.7 | Very high | 94.7 | Very high | 8 Ų | 8 | 41.8 Ų | 41.8 | 3% | 0.03 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 123.5 | 174.3 | -64.9 | -90.1 | 0 | 0 | 0 | 109.4 | I129 C133 R156 L157 L159 F182 I212 R216 L219 F233 | I129-W214 HydrophobicContact CG2-CZ2 3.78Å; I129-W214 PolarHBondContact O-NE1 3.42Å; C133-W214 HydrophobicContact CB-CD2 4.18Å; C133-W214 HydrophobicContact CB-CG 4Å; R156-W214 CarbonylContact C-O 3.59Å; R156-W214 VanDerWaalsContact CA-O 3.27Å; R156-W214 WeakPolarHBondContact CA-O 3.21Å; L157-W214 PolarHBondContact N-O 3.47Å; L157-W214 PolarHBondContact O-N 3.41Å; L159-W214 HydrophobicContact CB-CH2 4.06Å; L159-W214 HydrophobicContact CB-CZ3 3.78Å; L159-W214 HydrophobicContact CD2-CH2 4.46Å; F182-W214 HydrophobicContact CE1-CZ3 4.1Å; I212-W214 HydrophobicContact CD1-CH2 3.23Å; I212-W214 HydrophobicContact CD1-CZ2 3.49Å; I212-W214 VanDerWaalsContact CD1-CZ2 3.49Å; I212-W214 HydrophobicContact CD1-CZ3 4.03Å; I212-W214 HydrophobicContact CG1-CH2 3.69Å; I212-W214 HydrophobicContact CG1-CZ2 4.24Å; I212-W214 HydrophobicContact CG1-CZ3 3.98Å; W214-R216 PolarHBondContact O-N 3.24Å; W214-L219 HydrophobicContact CB-CB 4.05Å; W214-L219 HydrophobicContact CB-CD1 4.28Å; W214-L219 HydrophobicContact CB-CD2 3.87Å; W214-L219 HydrophobicContact CB-CG 4.28Å; W214-L219 HydrophobicContact CG-CD1 4.2Å; W214-L219 HydrophobicContact CG-CD2 4.34Å; W214-F233 HydrophobicContact CZ2-CZ 4.37Å |
| 215 | P | 94 | Very high | 94.6 | Very high | 42 Ų | 42 | 48 Ų | 48 | 27% | 0.273 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 134.1 | 172.2 | -22.1 | 32.8 | 0 | 0 | 0 | 111 | K217 S218 L219 | P215-K217 PolarHBondContact O-N 3.04Å; P215-S218 PolarHBondContact O-N 2.85Å; P215-L219 WeakPolarHBondContact O-CB 3.47Å; P215-L219 PolarHBondContact O-N 3.4Å |
| 216 | R | 92.2 | Very high | 94.4 | Very high | 16 Ų | 16 | 51 Ų | 51 | 6% | 0.06 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -56 | -46.5 | -172.8 | 177.8 | 164.8 | -177.1 | 98.9 | -3.2 | 113.6 | N155 W188 L191 Q192 W214 L219 H220 | N155-R216 VanDerWaalsContact C-CB 3.49Å; N155-R216 WeakPolarHBondContact O-CB 3.47Å; N155-R216 PolarHBondContact O-N 3.43Å; W188-R216 HydrophobicContact CE3-CG 4.31Å; W188-R216 VanDerWaalsContact CE3-NH1 3.33Å; W188-R216 HydrophobicContact CH2-CB 4.1Å; W188-R216 HydrophobicContact CH2-CG 3.74Å; W188-R216 HydrophobicContact CZ3-CB 3.57Å; W188-R216 HydrophobicContact CZ3-CG 3.42Å; W188-R216 VanDerWaalsContact CZ3-CG 3.42Å; W188-R216 PolarHBondContact O-NH1 3.23Å; W188-R216 VanDerWaalsContact O-NH1 3.13Å; L191-R216 VanDerWaalsContact C-NH2 3.33Å; L191-R216 VanDerWaalsContact CB-NH2 3.25Å; L191-R216 PolarHBondContact O-NH2 2.89Å; Q192-R216 VanDerWaalsContact C-NH2 3.35Å; Q192-R216 PolarHBondContact O-NH2 2.87Å; W214-R216 PolarHBondContact O-N 3.24Å; R216-L219 PolarHBondContact O-N 2.95Å; R216-H220 WeakPolarHBondContact O-CB 3.29Å; R216-H220 PolarHBondContact O-CD2 3.41Å; R216-H220 VanDerWaalsContact O-CD2 3.3Å; R216-H220 PolarHBondContact O-N 2.98Å |
| 217 | K | 91.6 | Very high | 94.4 | Very high | 189 Ų | 189 | 58.4 Ų | 58.4 | 82% | 0.822 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -62.7 | -46.5 | 179.7 | -65 | -178 | 179.4 | 178.2 | 0 | 111.8 | P215 L221 | P215-K217 PolarHBondContact O-N 3.04Å; K217-L221 WeakPolarHBondContact O-CB 3.38Å; K217-L221 PolarHBondContact O-N 3.48Å; K217-L221 VanDerWaalsContact O-N 3.09Å |
| 218 | S | 92.8 | Very high | 94.3 | Very high | 59 Ų | 59 | 60.8 Ų | 60.8 | 41% | 0.413 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.6 | -42.1 | 179.9 | -55.3 | 0 | 0 | 0 | 0 | 111.8 | P215 L221 L222 | P215-S218 PolarHBondContact O-N 2.85Å; S218-L221 PolarHBondContact O-N 3Å; S218-L222 PolarHBondContact O-N 2.87Å |
| 219 | L | 94.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.4 | -46.8 | 179.1 | -173.1 | 60.5 | 0 | 0 | 0 | 111.5 | L157 W188 W214 P215 R216 L221 L222 L223 F233 | L157-L219 HydrophobicContact CB-CD2 3.98Å; L157-L219 HydrophobicContact CD2-CD2 3.54Å; L157-L219 HydrophobicContact CG-CD2 4.41Å; W188-L219 HydrophobicContact CH2-CB 4.1Å; W188-L219 HydrophobicContact CH2-CD2 3.84Å; W188-L219 HydrophobicContact CH2-CG 4.25Å; W188-L219 HydrophobicContact CZ2-CD2 3.95Å; W188-L219 HydrophobicContact CZ2-CG 4.39Å; W188-L219 HydrophobicContact CZ3-CD2 4.38Å; W214-L219 HydrophobicContact CB-CB 4.05Å; W214-L219 HydrophobicContact CB-CD1 4.28Å; W214-L219 HydrophobicContact CB-CD2 3.87Å; W214-L219 HydrophobicContact CB-CG 4.28Å; W214-L219 HydrophobicContact CG-CD1 4.2Å; W214-L219 HydrophobicContact CG-CD2 4.34Å; P215-L219 WeakPolarHBondContact O-CB 3.47Å; P215-L219 PolarHBondContact O-N 3.4Å; R216-L219 PolarHBondContact O-N 2.95Å; L219-L221 VanDerWaalsContact C-N 3.27Å; L219-L221 PolarHBondContact O-N 3.02Å; L219-L222 WeakPolarHBondContact O-CB 3.33Å; L219-L222 PolarHBondContact O-N 3.37Å; L219-L223 HydrophobicContact CD1-CG 4.35Å; L219-L223 HydrophobicContact CG-CD1 4.01Å; L219-L223 HydrophobicContact CG-CG 4.26Å; L219-L223 VanDerWaalsContact O-CG 3.26Å; L219-L223 WeakPolarHBondContact O-CG 3.36Å; L219-L223 PolarHBondContact O-N 3.48Å; L219-F233 HydrophobicContact CD1-CE1 4.15Å; L219-F233 HydrophobicContact CD1-CE2 4.42Å; L219-F233 HydrophobicContact CD1-CZ 4Å; L219-F233 HydrophobicContact CD2-CD1 4.45Å; L219-F233 HydrophobicContact CD2-CE1 4.11Å |
| 220 | H | 93.5 | Very high | 94.2 | Very high | 41 Ų | 41 | 58.7 Ų | 58.7 | 19% | 0.19 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.2 | -38.4 | 175.4 | -83.7 | -59.8 | 0 | 0 | 0 | 112.6 | W188 R216 L222 L223 T224 | W188-H220 AromaticContact CH2-CD2 3.57Å; W188-H220 AromaticContact CH2-CE1 3.98Å; W188-H220 AromaticContact CH2-NE2 3.48Å; W188-H220 WeakPolarHBondContact CH2-NE2 3.42Å; W188-H220 AromaticContact CZ2-CD2 3.8Å; W188-H220 AromaticContact CZ2-CE1 3.4Å; W188-H220 WeakPolarHBondContact CZ2-CE1 3.37Å; W188-H220 AromaticContact CZ2-ND1 3.88Å; W188-H220 AromaticContact CZ2-NE2 3.36Å; W188-H220 WeakPolarHBondContact CZ2-NE2 3.06Å; R216-H220 WeakPolarHBondContact O-CB 3.29Å; R216-H220 PolarHBondContact O-CD2 3.41Å; R216-H220 VanDerWaalsContact O-CD2 3.3Å; R216-H220 PolarHBondContact O-N 2.98Å; H220-L222 VanDerWaalsContact C-N 3.33Å; H220-L222 PolarHBondContact O-N 2.96Å; H220-L223 PolarHBondContact O-N 3.37Å; H220-T224 WeakPolarHBondContact O-CB 3.43Å; H220-T224 WeakPolarHBondContact O-CG2 3.36Å; H220-T224 PolarHBondContact O-N 3.48Å; H220-T224 PolarHBondContact O-OG1 3.48Å |
| 221 | L | 93.9 | Very high | 94.2 | Very high | 115 Ų | 115 | 62 Ų | 62 | 60% | 0.602 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -61.6 | -41.7 | 173.9 | -173 | 149.2 | 0 | 0 | 0 | 111.7 | K217 S218 L219 T224 K225 | K217-L221 WeakPolarHBondContact O-CB 3.38Å; K217-L221 PolarHBondContact O-N 3.48Å; K217-L221 VanDerWaalsContact O-N 3.09Å; S218-L221 PolarHBondContact O-N 3Å; L219-L221 VanDerWaalsContact C-N 3.27Å; L219-L221 PolarHBondContact O-N 3.02Å; L221-T224 WeakPolarHBondContact CA-OG1 3.36Å; L221-T224 PolarHBondContact O-OG1 2.87Å; L221-K225 WeakPolarHBondContact O-CB 3.29Å; L221-K225 PolarHBondContact O-N 2.93Å; L221-K225 VanDerWaalsContact O-N 3.08Å |
| 222 | L | 93.9 | Very high | 94.1 | Very high | 17 Ų | 17 | 61.3 Ų | 61.3 | 9% | 0.089 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.1 | -44.9 | 175.3 | -177.2 | 63.7 | 0 | 0 | 0 | 112 | C132 S218 L219 H220 T224 K225 E226 I229 | C132-L222 HydrophobicContact CB-CD2 3.81Å; S218-L222 PolarHBondContact O-N 2.87Å; L219-L222 WeakPolarHBondContact O-CB 3.33Å; L219-L222 PolarHBondContact O-N 3.37Å; H220-L222 VanDerWaalsContact C-N 3.33Å; H220-L222 PolarHBondContact O-N 2.96Å; L222-T224 VanDerWaalsContact C-N 3.31Å; L222-T224 PolarHBondContact O-N 3.25Å; L222-K225 PolarHBondContact O-N 3.43Å; L222-E226 HydrophobicContact CD1-CG 4.21Å; L222-E226 PolarHBondContact O-N 3.48Å; L222-I229 HydrophobicContact CD1-CD1 3.93Å; L222-I229 HydrophobicContact CD2-CD1 4.08Å; L222-I229 HydrophobicContact CD2-CG2 4.26Å; L222-I229 HydrophobicContact CG-CD1 4.01Å; L222-I229 HydrophobicContact CG-CG2 4.37Å |
| 223 | L | 94.3 | Very high | 94.1 | Very high | 22 Ų | 22 | 61.7 Ų | 61.7 | 12% | 0.115 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.3 | -33.5 | -179.8 | -62.8 | 172.6 | 0 | 0 | 0 | 112.2 | W188 L219 H220 I229 S230 F233 | W188-L223 HydrophobicContact CZ2-CD1 4.34Å; L219-L223 HydrophobicContact CD1-CG 4.35Å; L219-L223 HydrophobicContact CG-CD1 4.01Å; L219-L223 HydrophobicContact CG-CG 4.26Å; L219-L223 VanDerWaalsContact O-CG 3.26Å; L219-L223 WeakPolarHBondContact O-CG 3.36Å; L219-L223 PolarHBondContact O-N 3.48Å; H220-L223 PolarHBondContact O-N 3.37Å; L223-I229 HydrophobicContact CD2-CG2 3.9Å; L223-S230 WeakPolarHBondContact O-CB 3.36Å; L223-F233 HydrophobicContact CD2-CB 3.74Å; L223-F233 HydrophobicContact CD2-CD2 3.85Å; L223-F233 HydrophobicContact CD2-CG 3.84Å |
| 224 | T | 94 | Very high | 94.1 | Very high | 118 Ų | 118 | 64.3 Ų | 64.3 | 72% | 0.724 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -75.2 | -32.1 | 175.3 | 48.2 | 0 | 0 | 0 | 0 | 112.5 | H220 L221 L222 | H220-T224 WeakPolarHBondContact O-CB 3.43Å; H220-T224 WeakPolarHBondContact O-CG2 3.36Å; H220-T224 PolarHBondContact O-N 3.48Å; H220-T224 PolarHBondContact O-OG1 3.48Å; L221-T224 WeakPolarHBondContact CA-OG1 3.36Å; L221-T224 PolarHBondContact O-OG1 2.87Å; L222-T224 VanDerWaalsContact C-N 3.31Å; L222-T224 PolarHBondContact O-N 3.25Å |
| 225 | K | 94.6 | Very high | 94.1 | Very high | 137 Ų | 137 | 66.9 Ų | 66.9 | 60% | 0.596 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -73.6 | -48.1 | 177.3 | -175.7 | -169.7 | 170.4 | -157.1 | 0 | 112.3 | L221 L222 | L221-K225 WeakPolarHBondContact O-CB 3.29Å; L221-K225 PolarHBondContact O-N 2.93Å; L221-K225 VanDerWaalsContact O-N 3.08Å; L222-K225 PolarHBondContact O-N 3.43Å |
| 226 | E | 94.3 | Very high | 94.1 | Very high | 63 Ų | 63 | 66.3 Ų | 66.3 | 29% | 0.294 | 34% | 0.342 | S | S | . | . | trans | -112.4 | 100.9 | -170.1 | -65.9 | -62.3 | 155.8 | 0 | 0 | 111.5 | L222 Y228 I229 S230 | L222-E226 HydrophobicContact CD1-CG 4.21Å; L222-E226 PolarHBondContact O-N 3.48Å; E226-Y228 VanDerWaalsContact C-N 3.26Å; E226-Y228 PolarHBondContact O-N 3.05Å; E226-I229 HydrophobicContact CB-CB 4.03Å; E226-I229 HydrophobicContact CB-CD1 3.75Å; E226-I229 HydrophobicContact CB-CG1 3.82Å; E226-I229 HydrophobicContact CG-CD1 4.01Å; E226-I229 PolarHBondContact O-N 3.43Å; E226-I229 VanDerWaalsContact O-N 3.13Å; E226-S230 PolarHBondContact O-N 3.48Å | ||
| 227 | R | 94.2 | Very high | 94.2 | Very high | 211 Ų | 211 | 65.7 Ų | 65.7 | 80% | 0.796 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -59.1 | -35.4 | -176.3 | -166.5 | -179.3 | -171.3 | 158.7 | 4.2 | 113.3 | S230 C231 | R227-S230 WeakPolarHBondContact O-CB 3.47Å; R227-S230 PolarHBondContact O-N 2.93Å; R227-C231 PolarHBondContact O-N 2.93Å; R227-C231 PolarHBondContact O-SG 3.5Å; R227-C231 VanDerWaalsContact O-SG 3.39Å |
| 228 | Y | 94 | Very high | 94.3 | Very high | 100 Ų | 100 | 58.7 Ų | 58.7 | 39% | 0.392 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.8 | -44.2 | 178.1 | 176.5 | -96.3 | 0 | 0 | 0 | 111.8 | V121 P122 T125 E226 S230 C231 L232 | V121-Y228 WeakPolarHBondContact CA-OH 3.39Å; V121-Y228 HydrophobicContact CG1-CE1 4.26Å; P122-Y228 WeakPolarHBondContact CD-OH 3.48Å; T125-Y228 HydrophobicContact CG2-CD1 3.64Å; T125-Y228 HydrophobicContact CG2-CE1 3.79Å; E226-Y228 VanDerWaalsContact C-N 3.26Å; E226-Y228 PolarHBondContact O-N 3.05Å; Y228-S230 VanDerWaalsContact C-N 3.3Å; Y228-S230 PolarHBondContact O-N 2.92Å; Y228-C231 PolarHBondContact O-N 3.32Å; Y228-L232 WeakPolarHBondContact O-CB 3.31Å; Y228-L232 PolarHBondContact O-N 2.8Å |
| 229 | I | 94.6 | Very high | 94.4 | Very high | 2 Ų | 2 | 62.2 Ų | 62.2 | 1% | 0.01 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.6 | -40.9 | 176.3 | -59.1 | -178.5 | 0 | 0 | 0 | 110 | T125 E128 I129 L222 L223 E226 L232 F233 | T125-I229 HydrophobicContact CG2-CD1 3.75Å; T125-I229 HydrophobicContact CG2-CG1 3.35Å; E128-I229 HydrophobicContact CB-CD1 4.27Å; I129-I229 HydrophobicContact CD1-CG2 4.18Å; I129-I229 HydrophobicContact CG1-CD1 4.15Å; I129-I229 HydrophobicContact CG1-CG1 4.5Å; I129-I229 HydrophobicContact CG1-CG2 3.96Å; L222-I229 HydrophobicContact CD1-CD1 3.93Å; L222-I229 HydrophobicContact CD2-CD1 4.08Å; L222-I229 HydrophobicContact CD2-CG2 4.26Å; L222-I229 HydrophobicContact CG-CD1 4.01Å; L222-I229 HydrophobicContact CG-CG2 4.37Å; L223-I229 HydrophobicContact CD2-CG2 3.9Å; E226-I229 HydrophobicContact CB-CB 4.03Å; E226-I229 HydrophobicContact CB-CD1 3.75Å; E226-I229 HydrophobicContact CB-CG1 3.82Å; E226-I229 HydrophobicContact CG-CD1 4.01Å; E226-I229 PolarHBondContact O-N 3.43Å; E226-I229 VanDerWaalsContact O-N 3.13Å; I229-L232 PolarHBondContact O-N 3.08Å; I229-F233 HydrophobicContact CG2-CD2 3.67Å; I229-F233 HydrophobicContact CG2-CE2 3.83Å; I229-F233 WeakPolarHBondContact O-CD2 3.5Å; I229-F233 PolarHBondContact O-N 3.38Å |
| 230 | S | 95 | Very high | 94.4 | Very high | 39 Ų | 39 | 62.6 Ų | 62.6 | 27% | 0.273 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -53.1 | -55.5 | 173.2 | -168.6 | 0 | 0 | 0 | 0 | 112.1 | L223 E226 R227 Y228 L232 F233 S234 | L223-S230 WeakPolarHBondContact O-CB 3.36Å; E226-S230 PolarHBondContact O-N 3.48Å; R227-S230 WeakPolarHBondContact O-CB 3.47Å; R227-S230 PolarHBondContact O-N 2.93Å; Y228-S230 VanDerWaalsContact C-N 3.3Å; Y228-S230 PolarHBondContact O-N 2.92Å; S230-L232 VanDerWaalsContact C-N 3.31Å; S230-L232 PolarHBondContact O-N 3.3Å; S230-F233 PolarHBondContact O-N 3.19Å; S230-S234 PolarHBondContact O-N 3.02Å; S230-S234 PolarHBondContact O-OG 3.43Å; S230-S234 VanDerWaalsContact O-OG 3.12Å |
| 231 | C | 95 | Very high | 94.4 | Very high | 78 Ų | 78 | 62.3 Ų | 62.3 | 53% | 0.527 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.5 | -38.7 | 179 | -67.5 | 0 | 0 | 0 | 0 | 112.7 | R227 Y228 A235 | R227-C231 PolarHBondContact O-N 2.93Å; R227-C231 PolarHBondContact O-SG 3.5Å; R227-C231 VanDerWaalsContact O-SG 3.39Å; Y228-C231 PolarHBondContact O-N 3.32Å; C231-A235 WeakPolarHBondContact O-CB 3.37Å; C231-A235 PolarHBondContact O-N 2.88Å |
| 232 | L | 94.9 | Very high | 94.3 | Very high | 16 Ų | 16 | 58.8 Ų | 58.8 | 8% | 0.084 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.8 | -49.9 | 177 | 177.2 | 64 | 0 | 0 | 0 | 111.4 | L119 V121 I129 Y228 I229 S230 A235 L236 | L119-L232 HydrophobicContact CD1-CD1 3.88Å; V121-L232 HydrophobicContact CG1-CD2 4.04Å; V121-L232 HydrophobicContact CG2-CD1 3.77Å; V121-L232 HydrophobicContact CG2-CD2 3.69Å; V121-L232 HydrophobicContact CG2-CG 4.4Å; I129-L232 HydrophobicContact CD1-CD2 3.99Å; Y228-L232 WeakPolarHBondContact O-CB 3.31Å; Y228-L232 PolarHBondContact O-N 2.8Å; I229-L232 PolarHBondContact O-N 3.08Å; S230-L232 VanDerWaalsContact C-N 3.31Å; S230-L232 PolarHBondContact O-N 3.3Å; L232-A235 PolarHBondContact O-N 3.42Å; L232-L236 HydrophobicContact CD1-CD1 4.13Å; L232-L236 HydrophobicContact CD1-CG 4.35Å; L232-L236 HydrophobicContact CG-CD1 4.05Å; L232-L236 WeakPolarHBondContact O-CB 3.45Å; L232-L236 WeakPolarHBondContact O-CG 3.28Å; L232-L236 PolarHBondContact O-N 3.47Å |
| 233 | F | 95.1 | Very high | 94.2 | Very high | 7 Ų | 7 | 61.2 Ų | 61.2 | 3% | 0.031 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65 | -42.2 | 178.5 | -92.7 | -97.6 | 0 | 0 | 0 | 111.8 | I129 L157 F182 W214 L219 L223 I229 S230 A235 L236 L237 | I129-F233 HydrophobicContact CD1-CE2 4Å; I129-F233 HydrophobicContact CG1-CE2 4.08Å; I129-F233 HydrophobicContact CG2-CE2 3.94Å; I129-F233 HydrophobicContact CG2-CZ 3.89Å; L157-F233 HydrophobicContact CD2-CD1 4.02Å; L157-F233 HydrophobicContact CD2-CE1 3.86Å; F182-F233 HydrophobicContact CZ-CE1 4.49Å; W214-F233 HydrophobicContact CZ2-CZ 4.37Å; L219-F233 HydrophobicContact CD1-CE1 4.15Å; L219-F233 HydrophobicContact CD1-CE2 4.42Å; L219-F233 HydrophobicContact CD1-CZ 4Å; L219-F233 HydrophobicContact CD2-CD1 4.45Å; L219-F233 HydrophobicContact CD2-CE1 4.11Å; L223-F233 HydrophobicContact CD2-CB 3.74Å; L223-F233 HydrophobicContact CD2-CD2 3.85Å; L223-F233 HydrophobicContact CD2-CG 3.84Å; I229-F233 HydrophobicContact CG2-CD2 3.67Å; I229-F233 HydrophobicContact CG2-CE2 3.83Å; I229-F233 WeakPolarHBondContact O-CD2 3.5Å; I229-F233 PolarHBondContact O-N 3.38Å; S230-F233 PolarHBondContact O-N 3.19Å; F233-A235 VanDerWaalsContact C-N 3.28Å; F233-A235 PolarHBondContact O-N 3.48Å; F233-L236 PolarHBondContact O-N 3.29Å; F233-L237 VanDerWaalsContact O-CB 3.3Å; F233-L237 WeakPolarHBondContact O-CB 3.26Å; F233-L237 VanDerWaalsContact O-CG 3.26Å; F233-L237 WeakPolarHBondContact O-CG 3.48Å; F233-L237 PolarHBondContact O-N 2.97Å |
| 234 | S | 94.5 | Very high | 94.1 | Very high | 70 Ų | 70 | 60.8 Ų | 60.8 | 49% | 0.49 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.3 | -39.5 | 175.2 | -61.4 | 0 | 0 | 0 | 0 | 112.3 | S230 G238 | S230-S234 PolarHBondContact O-N 3.02Å; S230-S234 PolarHBondContact O-OG 3.43Å; S230-S234 VanDerWaalsContact O-OG 3.12Å; S234-G238 PolarHBondContact O-N 2.92Å |
| 235 | A | 94.6 | Very high | 93.8 | Very high | 62 Ų | 62 | 59.1 Ų | 59.1 | 51% | 0.512 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -68.3 | -43.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | C231 L232 F233 Y239 | C231-A235 WeakPolarHBondContact O-CB 3.37Å; C231-A235 PolarHBondContact O-N 2.88Å; L232-A235 PolarHBondContact O-N 3.42Å; F233-A235 VanDerWaalsContact C-N 3.28Å; F233-A235 PolarHBondContact O-N 3.48Å; A235-Y239 VanDerWaalsContact O-CB 3.3Å; A235-Y239 WeakPolarHBondContact O-CB 3Å; A235-Y239 PolarHBondContact O-N 3.47Å |
| 236 | L | 94.6 | Very high | 93.5 | Very high | 30 Ų | 30 | 57.5 Ų | 57.5 | 16% | 0.157 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65 | -47.4 | 178.4 | -74.6 | 173.5 | 0 | 0 | 0 | 112.2 | L119 F182 L232 F233 Y239 D240 | L119-L236 HydrophobicContact CD1-CD2 3.65Å; L119-L236 HydrophobicContact CD1-CG 4.31Å; F182-L236 HydrophobicContact CE2-CB 4.06Å; L232-L236 HydrophobicContact CD1-CD1 4.13Å; L232-L236 HydrophobicContact CD1-CG 4.35Å; L232-L236 HydrophobicContact CG-CD1 4.05Å; L232-L236 WeakPolarHBondContact O-CB 3.45Å; L232-L236 WeakPolarHBondContact O-CG 3.28Å; L232-L236 PolarHBondContact O-N 3.47Å; F233-L236 PolarHBondContact O-N 3.29Å; L236-Y239 PolarHBondContact O-N 3.36Å; L236-D240 WeakPolarHBondContact O-CB 3.17Å; L236-D240 PolarHBondContact O-N 3.31Å |
| 237 | L | 95.2 | Very high | 93.1 | Very high | 4 Ų | 4 | 57 Ų | 57 | 2% | 0.021 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.2 | -44.9 | 178.1 | -69.4 | 170.1 | 0 | 0 | 0 | 111.1 | L157 F182 E189 F233 Y239 D240 I241 | L157-L237 HydrophobicContact CD1-CD2 3.88Å; L157-L237 HydrophobicContact CD2-CD2 4.16Å; F182-L237 HydrophobicContact CD1-CD2 4.15Å; F182-L237 HydrophobicContact CD2-CD2 4.13Å; F182-L237 HydrophobicContact CE1-CD2 4.28Å; F182-L237 HydrophobicContact CE2-CD2 4.26Å; F182-L237 HydrophobicContact CG-CD2 4.07Å; F182-L237 HydrophobicContact CZ-CD2 4.33Å; E189-L237 WeakPolarHBondContact OE1-CD1 3.18Å; F233-L237 VanDerWaalsContact O-CB 3.3Å; F233-L237 WeakPolarHBondContact O-CB 3.26Å; F233-L237 VanDerWaalsContact O-CG 3.26Å; F233-L237 WeakPolarHBondContact O-CG 3.48Å; F233-L237 PolarHBondContact O-N 2.97Å; L237-Y239 VanDerWaalsContact C-N 3.32Å; L237-Y239 PolarHBondContact O-N 3.32Å; L237-D240 PolarHBondContact O-N 2.9Å; L237-I241 WeakPolarHBondContact O-CB 3.26Å; L237-I241 WeakPolarHBondContact O-CD1 3.31Å; L237-I241 WeakPolarHBondContact O-CG1 3.37Å; L237-I241 PolarHBondContact O-N 3.44Å |
| 238 | G | 94.1 | Very high | 92.7 | Very high | 41 Ų | 41 | 49.4 Ų | 49.4 | 42% | 0.423 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.8 | -40.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S234 S242 | S234-G238 PolarHBondContact O-N 2.92Å; G238-S242 VanDerWaalsContact O-CB 3.29Å; G238-S242 WeakPolarHBondContact O-CB 3.46Å; G238-S242 PolarHBondContact O-N 3.36Å; G238-S242 PolarHBondContact O-OG 3.49Å |
| 239 | Y | 93.1 | Very high | 92.2 | Very high | 133 Ų | 133 | 45 Ų | 45 | 52% | 0.522 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.4 | -51.3 | 174.3 | 178 | -91.5 | 0 | 0 | 0 | 111.5 | A235 L236 L237 S242 E243 | A235-Y239 VanDerWaalsContact O-CB 3.3Å; A235-Y239 WeakPolarHBondContact O-CB 3Å; A235-Y239 PolarHBondContact O-N 3.47Å; L236-Y239 PolarHBondContact O-N 3.36Å; L237-Y239 VanDerWaalsContact C-N 3.32Å; L237-Y239 PolarHBondContact O-N 3.32Å; Y239-S242 PolarHBondContact O-N 3.35Å; Y239-S242 PolarHBondContact O-OG 2.94Å; Y239-E243 WeakPolarHBondContact CE1-OE2 3.36Å; Y239-E243 PolarHBondContact O-N 3.35Å |
| 240 | D | 94.9 | Very high | 91.8 | Very high | 8 Ų | 8 | 48.8 Ų | 48.8 | 4% | 0.043 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.9 | -46.6 | -178.2 | -176.3 | 98.1 | 0 | 0 | 0 | 112.4 | Q181 F182 S185 L236 L237 S242 E243 K244 | Q181-D240 WeakPolarHBondContact CA-OD1 3.26Å; Q181-D240 WeakPolarHBondContact CB-OD1 3.46Å; F182-D240 HydrophobicContact CD2-CB 4.07Å; F182-D240 PolarHBondContact N-OD1 3.08Å; S185-D240 PolarHBondContact OG-OD2 2.93Å; L236-D240 WeakPolarHBondContact O-CB 3.17Å; L236-D240 PolarHBondContact O-N 3.31Å; L237-D240 PolarHBondContact O-N 2.9Å; D240-S242 VanDerWaalsContact C-N 3.31Å; D240-S242 PolarHBondContact O-N 3.28Å; D240-E243 PolarHBondContact O-N 3.25Å; D240-K244 WeakPolarHBondContact O-CG 3.49Å; D240-K244 PolarHBondContact O-N 3.01Å; D240-K244 WeakPolarHBondContact OD2-CE 3.21Å; D240-K244 IonicContact OD2-NZ 3.68Å; D240-K244 PolarHBondContact OD2-NZ 3.49Å |
| 241 | I | 93.6 | Very high | 91.1 | Very high | 36 Ų | 36 | 51 Ų | 51 | 19% | 0.185 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.6 | -43.3 | 176.1 | -67.4 | 165.2 | 0 | 0 | 0 | 110.3 | E189 L237 E243 K244 L245 | E189-I241 HydrophobicContact CB-CD1 3.99Å; E189-I241 HydrophobicContact CG-CD1 3.53Å; L237-I241 WeakPolarHBondContact O-CB 3.26Å; L237-I241 WeakPolarHBondContact O-CD1 3.31Å; L237-I241 WeakPolarHBondContact O-CG1 3.37Å; L237-I241 PolarHBondContact O-N 3.44Å; I241-E243 VanDerWaalsContact C-N 3.33Å; I241-E243 PolarHBondContact O-N 3.47Å; I241-K244 PolarHBondContact O-N 2.84Å; I241-L245 HydrophobicContact CG2-CD1 3.91Å; I241-L245 HydrophobicContact CG2-CG 4.25Å; I241-L245 WeakPolarHBondContact O-CB 3.4Å; I241-L245 VanDerWaalsContact O-CG 3.29Å; I241-L245 WeakPolarHBondContact O-CG 3.33Å; I241-L245 PolarHBondContact O-N 3.27Å |
| 242 | S | 92.4 | Very high | 90.4 | Very high | 40 Ų | 40 | 50.3 Ų | 50.3 | 28% | 0.28 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.5 | -42.5 | 177.9 | 77.6 | 0 | 0 | 0 | 0 | 111.7 | G238 Y239 D240 K244 L245 Y246 | G238-S242 VanDerWaalsContact O-CB 3.29Å; G238-S242 WeakPolarHBondContact O-CB 3.46Å; G238-S242 PolarHBondContact O-N 3.36Å; G238-S242 PolarHBondContact O-OG 3.49Å; Y239-S242 PolarHBondContact O-N 3.35Å; Y239-S242 PolarHBondContact O-OG 2.94Å; D240-S242 VanDerWaalsContact C-N 3.31Å; D240-S242 PolarHBondContact O-N 3.28Å; S242-K244 PolarHBondContact O-N 2.98Å; S242-L245 PolarHBondContact O-N 3.01Å; S242-Y246 WeakPolarHBondContact O-CD2 3.28Å; S242-Y246 PolarHBondContact O-N 2.71Å |
| 243 | E | 91.1 | Very high | 89.7 | Confident | 68 Ų | 68 | 54.2 Ų | 54.2 | 32% | 0.318 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.5 | -44.3 | 178.4 | -165.8 | -174.1 | 151.7 | 0 | 0 | 111.4 | Q181 Y239 D240 I241 Y246 T247 | Q181-E243 PolarHBondContact NE2-OE1 3.35Å; Y239-E243 WeakPolarHBondContact CE1-OE2 3.36Å; Y239-E243 PolarHBondContact O-N 3.35Å; D240-E243 PolarHBondContact O-N 3.25Å; I241-E243 VanDerWaalsContact C-N 3.33Å; I241-E243 PolarHBondContact O-N 3.47Å; E243-Y246 PolarHBondContact O-N 2.89Å; E243-T247 WeakPolarHBondContact O-CB 3.38Å; E243-T247 PolarHBondContact O-N 3.36Å; E243-T247 PolarHBondContact O-OG1 3.43Å |
| 244 | K | 92.1 | Very high | 88.9 | Confident | 14 Ų | 14 | 58.1 Ų | 58.1 | 6% | 0.061 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.8 | -46 | 175.3 | -71.1 | 175.1 | 177.6 | 174.1 | 0 | 111.8 | F182 S185 P186 D240 I241 S242 T247 L248 | F182-K244 WeakPolarHBondContact O-CE 3.48Å; F182-K244 PolarHBondContact O-NZ 3.21Å; S185-K244 PolarHBondContact OG-NZ 2.95Å; P186-K244 HydrophobicContact CG-CD 4.27Å; D240-K244 WeakPolarHBondContact O-CG 3.49Å; D240-K244 PolarHBondContact O-N 3.01Å; D240-K244 WeakPolarHBondContact OD2-CE 3.21Å; D240-K244 IonicContact OD2-NZ 3.68Å; D240-K244 PolarHBondContact OD2-NZ 3.49Å; I241-K244 PolarHBondContact O-N 2.84Å; S242-K244 PolarHBondContact O-N 2.98Å; K244-T247 PolarHBondContact O-N 3.02Å; K244-L248 WeakPolarHBondContact O-CG 3.35Å; K244-L248 PolarHBondContact O-N 3.23Å |
| 245 | L | 89 | Confident | 88.2 | Confident | 82 Ų | 82 | 61.8 Ų | 61.8 | 43% | 0.429 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.8 | -43.5 | 178 | -72.1 | 176.3 | 0 | 0 | 0 | 112.2 | I241 S242 T247 L248 N249 I262 | I241-L245 HydrophobicContact CG2-CD1 3.91Å; I241-L245 HydrophobicContact CG2-CG 4.25Å; I241-L245 WeakPolarHBondContact O-CB 3.4Å; I241-L245 VanDerWaalsContact O-CG 3.29Å; I241-L245 WeakPolarHBondContact O-CG 3.33Å; I241-L245 PolarHBondContact O-N 3.27Å; S242-L245 PolarHBondContact O-N 3.01Å; L245-T247 VanDerWaalsContact C-N 3.35Å; L245-L248 PolarHBondContact O-N 2.89Å; L245-N249 VanDerWaalsContact O-CB 3.32Å; L245-N249 WeakPolarHBondContact O-CB 3.32Å; L245-N249 PolarHBondContact O-N 3.49Å; L245-I262 HydrophobicContact CB-CD1 4.36Å |
| 246 | Y | 87.9 | Confident | 87.4 | Confident | 104 Ų | 104 | 64.6 Ų | 64.6 | 41% | 0.408 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.2 | -42.1 | 175.1 | -79.1 | -63.5 | 0 | 0 | 0 | 111.6 | S242 E243 L248 N249 D250 I262 | S242-Y246 WeakPolarHBondContact O-CD2 3.28Å; S242-Y246 PolarHBondContact O-N 2.71Å; E243-Y246 PolarHBondContact O-N 2.89Å; Y246-L248 VanDerWaalsContact C-N 3.34Å; Y246-L248 PolarHBondContact O-N 3.41Å; Y246-N249 PolarHBondContact O-N 2.93Å; Y246-D250 PolarHBondContact O-N 3.45Å; Y246-I262 HydrophobicContact CD1-CD1 3.91Å; Y246-I262 HydrophobicContact CD2-CD1 3.98Å; Y246-I262 HydrophobicContact CE1-CD1 3.49Å; Y246-I262 VanDerWaalsContact CE1-CD1 3.49Å; Y246-I262 HydrophobicContact CE1-CG1 3.98Å; Y246-I262 HydrophobicContact CE2-CD1 3.56Å; Y246-I262 HydrophobicContact CG-CD1 4.13Å |
| 247 | T | 86.1 | Confident | 86.6 | Confident | 53 Ų | 53 | 65.6 Ų | 65.6 | 33% | 0.325 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.4 | -41.8 | 177.2 | -59 | 0 | 0 | 0 | 0 | 111.9 | H175 E243 K244 L245 K251 | H175-T247 HydrophobicContact CB-CG2 4.49Å; E243-T247 WeakPolarHBondContact O-CB 3.38Å; E243-T247 PolarHBondContact O-N 3.36Å; E243-T247 PolarHBondContact O-OG1 3.43Å; K244-T247 PolarHBondContact O-N 3.02Å; L245-T247 VanDerWaalsContact C-N 3.35Å; T247-K251 WeakPolarHBondContact O-CG 3.38Å; T247-K251 PolarHBondContact O-N 3.35Å |
| 248 | L | 84.3 | Confident | 85.7 | Confident | 50 Ų | 50 | 69.9 Ų | 69.9 | 26% | 0.262 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -67.1 | -41.7 | 175.4 | -70.2 | 174.6 | 0 | 0 | 0 | 111.8 | L174 K244 L245 Y246 D250 K251 L252 | L174-L248 HydrophobicContact CB-CD2 4.18Å; L174-L248 HydrophobicContact CD2-CD2 4.29Å; L174-L248 HydrophobicContact CG-CD2 4.4Å; K244-L248 WeakPolarHBondContact O-CG 3.35Å; K244-L248 PolarHBondContact O-N 3.23Å; L245-L248 PolarHBondContact O-N 2.89Å; Y246-L248 VanDerWaalsContact C-N 3.34Å; Y246-L248 PolarHBondContact O-N 3.41Å; L248-D250 PolarHBondContact O-N 2.91Å; L248-K251 WeakPolarHBondContact O-CB 3.45Å; L248-K251 PolarHBondContact O-N 3.37Å; L248-L252 WeakPolarHBondContact O-CG 3.22Å; L248-L252 PolarHBondContact O-N 2.96Å |
| 249 | N | 85.1 | Confident | 84.9 | Confident | 7 Ų | 7 | 76.1 Ų | 76.1 | 4% | 0.037 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62.9 | -40.8 | 178 | -167.9 | 16.4 | 0 | 0 | 0 | 111.9 | L245 Y246 K251 L252 F253 F260 | L245-N249 VanDerWaalsContact O-CB 3.32Å; L245-N249 WeakPolarHBondContact O-CB 3.32Å; L245-N249 PolarHBondContact O-N 3.49Å; Y246-N249 PolarHBondContact O-N 2.93Å; N249-K251 VanDerWaalsContact C-N 3.28Å; N249-K251 PolarHBondContact O-N 2.9Å; N249-L252 PolarHBondContact O-N 3.34Å; N249-F253 WeakPolarHBondContact O-CB 3.33Å; N249-F253 PolarHBondContact O-N 3.49Å; N249-F260 PolarHBondContact ND2-O 3.24Å; N249-F260 PolarHBondContact OD1-N 3.02Å |
| 250 | D | 84.7 | Confident | 84.1 | Confident | 83 Ų | 83 | 73 Ų | 73 | 44% | 0.444 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.4 | -34.9 | 175.3 | -73.7 | -17 | 0 | 0 | 0 | 111.7 | Y246 L248 F253 A254 | Y246-D250 PolarHBondContact O-N 3.45Å; L248-D250 PolarHBondContact O-N 2.91Å; D250-F253 PolarHBondContact O-N 3.14Å; D250-A254 WeakPolarHBondContact O-CB 3.24Å; D250-A254 PolarHBondContact O-N 2.9Å |
| 251 | K | 81.8 | Confident | 83.3 | Confident | 85 Ų | 85 | 75.7 Ų | 75.7 | 37% | 0.37 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -69.5 | -40.5 | 173 | -71.3 | -176 | 179.8 | -166.6 | 0 | 112.9 | L174 T247 L248 N249 F253 A254 K255 | L174-K251 WeakPolarHBondContact O-CD 3.4Å; L174-K251 PolarHBondContact O-NZ 2.9Å; T247-K251 WeakPolarHBondContact O-CG 3.38Å; T247-K251 PolarHBondContact O-N 3.35Å; L248-K251 WeakPolarHBondContact O-CB 3.45Å; L248-K251 PolarHBondContact O-N 3.37Å; N249-K251 VanDerWaalsContact C-N 3.28Å; N249-K251 PolarHBondContact O-N 2.9Å; K251-F253 VanDerWaalsContact C-N 3.3Å; K251-A254 PolarHBondContact O-N 3.02Å; K251-K255 WeakPolarHBondContact O-CB 3.11Å; K251-K255 PolarHBondContact O-N 3.31Å |
| 252 | L | 78.5 | Confident | 82.5 | Confident | 64 Ų | 64 | 76.9 Ų | 76.9 | 34% | 0.335 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.9 | -40 | 173.8 | -71 | 174.3 | 0 | 0 | 0 | 111 | L248 N249 K255 F256 F260 | L248-L252 WeakPolarHBondContact O-CG 3.22Å; L248-L252 PolarHBondContact O-N 2.96Å; N249-L252 PolarHBondContact O-N 3.34Å; L252-K255 PolarHBondContact O-N 2.86Å; L252-F256 HydrophobicContact CD2-CD2 3.97Å; L252-F256 HydrophobicContact CD2-CE2 3.95Å; L252-F256 WeakPolarHBondContact O-CB 3.48Å; L252-F256 PolarHBondContact O-N 3.41Å; L252-F260 HydrophobicContact CD1-CD2 4.18Å; L252-F260 HydrophobicContact CD1-CE2 3.98Å |
| 253 | F | 80.3 | Confident | 81.8 | Confident | 98 Ų | 98 | 84.2 Ų | 84.2 | 43% | 0.43 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.1 | -44.9 | 174.2 | -178 | -103.4 | 0 | 0 | 0 | 111.8 | N249 D250 K251 K255 G257 L258 R259 | N249-F253 WeakPolarHBondContact O-CB 3.33Å; N249-F253 PolarHBondContact O-N 3.49Å; D250-F253 PolarHBondContact O-N 3.14Å; K251-F253 VanDerWaalsContact C-N 3.3Å; F253-K255 VanDerWaalsContact C-N 3.29Å; F253-K255 PolarHBondContact O-N 3.24Å; F253-G257 WeakPolarHBondContact CE2-O 3.35Å; F253-G257 WeakPolarHBondContact O-CA 3.19Å; F253-G257 PolarHBondContact O-N 3.37Å; F253-L258 WeakPolarHBondContact CA-O 3.24Å; F253-L258 WeakPolarHBondContact CB-O 3.45Å; F253-L258 PolarHBondContact N-O 3.42Å; F253-R259 HydrophobicContact CD2-CB 3.81Å; F253-R259 HydrophobicContact CE2-CB 4.41Å |
| 254 | A | 78.6 | Confident | 80.8 | Confident | 88 Ų | 88 | 86.3 Ų | 86.3 | 73% | 0.727 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -63 | -34.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | D250 K251 | D250-A254 WeakPolarHBondContact O-CB 3.24Å; D250-A254 PolarHBondContact O-N 2.9Å; K251-A254 PolarHBondContact O-N 3.02Å |
| 255 | K | 79.7 | Confident | 79.1 | Confident | 147 Ų | 147 | 91.4 Ų | 91.4 | 64% | 0.639 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -86.5 | -37.7 | -176.6 | -171.2 | 172.7 | 176 | -175.8 | 0 | 113.6 | K251 L252 F253 | K251-K255 WeakPolarHBondContact O-CB 3.11Å; K251-K255 PolarHBondContact O-N 3.31Å; L252-K255 PolarHBondContact O-N 2.86Å; F253-K255 VanDerWaalsContact C-N 3.29Å; F253-K255 PolarHBondContact O-N 3.24Å |
| 256 | F | 78.4 | Confident | 77.5 | Confident | 121 Ų | 121 | 90 Ų | 90 | 53% | 0.531 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -124.3 | -4.5 | -170 | -58.2 | -73.1 | 0 | 0 | 0 | 114.1 | L252 L258 | L252-F256 HydrophobicContact CD2-CD2 3.97Å; L252-F256 HydrophobicContact CD2-CE2 3.95Å; L252-F256 WeakPolarHBondContact O-CB 3.48Å; L252-F256 PolarHBondContact O-N 3.41Å; F256-L258 HydrophobicContact CB-CB 4.46Å; F256-L258 HydrophobicContact CB-CD1 4.06Å; F256-L258 HydrophobicContact CB-CG 4.23Å; F256-L258 PolarHBondContact O-N 3.1Å |
| 257 | G | 78.7 | Confident | 75.5 | Confident | 52 Ų | 52 | 91.5 Ų | 91.5 | 54% | 0.536 | 47% | 0.472 | S | S | . | . | S | Bend | trans | 70.3 | 7.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | F253 | F253-G257 WeakPolarHBondContact CE2-O 3.35Å; F253-G257 WeakPolarHBondContact O-CA 3.19Å; F253-G257 PolarHBondContact O-N 3.37Å |
| 258 | L | 75.8 | Confident | 73.6 | Confident | 94 Ų | 94 | 96.2 Ų | 96.2 | 49% | 0.492 | 49% | 0.485 | S | S | . | . | trans | -96.7 | 125.2 | -177 | -66.6 | 168.9 | 0 | 0 | 0 | 110.4 | F253 F256 F260 | F253-L258 WeakPolarHBondContact CA-O 3.24Å; F253-L258 WeakPolarHBondContact CB-O 3.45Å; F253-L258 PolarHBondContact N-O 3.42Å; F256-L258 HydrophobicContact CB-CB 4.46Å; F256-L258 HydrophobicContact CB-CD1 4.06Å; F256-L258 HydrophobicContact CB-CG 4.23Å; F256-L258 PolarHBondContact O-N 3.1Å; L258-F260 HydrophobicContact CB-CE2 4.17Å; L258-F260 HydrophobicContact CB-CZ 4.28Å; L258-F260 HydrophobicContact CD1-CZ 4.41Å | ||
| 259 | R | 76.6 | Confident | 71.9 | Confident | 172 Ų | 172 | 103.1 Ų | 103.1 | 65% | 0.649 | 52% | 0.515 | S | S | * | . | trans | -115.6 | 112.1 | 173.7 | -167.8 | 173.8 | -169.2 | 152.4 | 9.2 | 109.1 | F253 | F253-R259 HydrophobicContact CD2-CB 3.81Å; F253-R259 HydrophobicContact CE2-CB 4.41Å | ||
| 260 | F | 75.8 | Confident | 69.9 | Low | 67 Ų | 67 | 108 Ų | 108 | 29% | 0.294 | 55% | 0.545 | S | S | . | . | trans | -82.2 | 139.5 | 178 | -62 | -80 | 0 | 0 | 0 | 110 | N249 L252 L258 I262 | N249-F260 PolarHBondContact ND2-O 3.24Å; N249-F260 PolarHBondContact OD1-N 3.02Å; L252-F260 HydrophobicContact CD1-CD2 4.18Å; L252-F260 HydrophobicContact CD1-CE2 3.98Å; L258-F260 HydrophobicContact CB-CE2 4.17Å; L258-F260 HydrophobicContact CB-CZ 4.28Å; L258-F260 HydrophobicContact CD1-CZ 4.41Å; F260-I262 PolarHBondContact O-N 2.87Å | ||
| 261 | D | 78.9 | Confident | 67.8 | Low | 64 Ų | 64 | 110.5 Ų | 110.5 | 34% | 0.342 | 56% | 0.558 | S | S | . | * | trans | -84.6 | 100 | 163.6 | -171.1 | -15.8 | 0 | 0 | 0 | 107.8 | R263 L264 | D261-R263 PolarHBondContact O-N 3.49Å; D261-R263 WeakPolarHBondContact OD1-CB 3.49Å; D261-R263 WeakPolarHBondContact OD1-CG 3.28Å; D261-R263 IonicContact OD1-CZ 3.73Å; D261-R263 PolarHBondContact OD1-N 2.99Å; D261-R263 VanDerWaalsContact OD1-N 3.11Å; D261-R263 IonicContact OD1-NE 2.93Å; D261-R263 PolarHBondContact OD1-NE 3.05Å; D261-R263 IonicContact OD1-NH2 3.63Å; D261-R263 IonicContact OD2-CZ 3.56Å; D261-R263 IonicContact OD2-NE 3.5Å; D261-R263 PolarHBondContact OD2-NE 3.28Å; D261-R263 IonicContact OD2-NH2 2.77Å; D261-R263 PolarHBondContact OD2-NH2 2.83Å; D261-L264 HydrophobicContact CB-CD1 3.61Å; D261-L264 PolarHBondContact O-N 2.97Å; D261-L264 VanDerWaalsContact O-N 3.08Å | ||
| 262 | I | 75.9 | Confident | 65.5 | Low | 61 Ų | 61 | 108.7 Ų | 108.7 | 31% | 0.313 | 56% | 0.563 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.7 | -9.4 | -176.6 | 62.6 | 168.9 | 0 | 0 | 0 | 113.8 | L245 Y246 F260 | L245-I262 HydrophobicContact CB-CD1 4.36Å; Y246-I262 HydrophobicContact CD1-CD1 3.91Å; Y246-I262 HydrophobicContact CD2-CD1 3.98Å; Y246-I262 HydrophobicContact CE1-CD1 3.49Å; Y246-I262 VanDerWaalsContact CE1-CD1 3.49Å; Y246-I262 HydrophobicContact CE1-CG1 3.98Å; Y246-I262 HydrophobicContact CE2-CD1 3.56Å; Y246-I262 HydrophobicContact CG-CD1 4.13Å; F260-I262 PolarHBondContact O-N 2.87Å |
| 263 | R | 77.9 | Confident | 63.6 | Low | 195 Ų | 195 | 112 Ų | 112 | 74% | 0.736 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | -20.7 | 177.4 | -57 | 172.7 | -64.3 | 171.6 | 5 | 112.7 | D261 | D261-R263 PolarHBondContact O-N 3.49Å; D261-R263 WeakPolarHBondContact OD1-CB 3.49Å; D261-R263 WeakPolarHBondContact OD1-CG 3.28Å; D261-R263 IonicContact OD1-CZ 3.73Å; D261-R263 PolarHBondContact OD1-N 2.99Å; D261-R263 VanDerWaalsContact OD1-N 3.11Å; D261-R263 IonicContact OD1-NE 2.93Å; D261-R263 PolarHBondContact OD1-NE 3.05Å; D261-R263 IonicContact OD1-NH2 3.63Å; D261-R263 IonicContact OD2-CZ 3.56Å; D261-R263 IonicContact OD2-NE 3.5Å; D261-R263 PolarHBondContact OD2-NE 3.28Å; D261-R263 IonicContact OD2-NH2 2.77Å; D261-R263 PolarHBondContact OD2-NH2 2.83Å |
| 264 | L | 70 | Confident | 61.5 | Low | 112 Ų | 112 | 113.9 Ų | 113.9 | 59% | 0.586 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -84.4 | 140.2 | 175.2 | -79.9 | 129.3 | 0 | 0 | 0 | 108.7 | D261 S266 | D261-L264 HydrophobicContact CB-CD1 3.61Å; D261-L264 PolarHBondContact O-N 2.97Å; D261-L264 VanDerWaalsContact O-N 3.08Å; L264-S266 PolarHBondContact O-N 2.9Å |
| 265 | P | 57.2 | Low | 59.4 | Low | 121 Ų | 121 | 114.2 Ų | 114.2 | 79% | 0.786 | 61% | 0.611 | S | S | * | * | trans | -51.9 | 114.3 | 167 | -21.5 | 31.6 | 0 | 0 | 0 | 108.1 | L267 | P265-L267 PolarHBondContact O-N 3.36Š| ||
| 266 | S | 55.4 | Low | 57.3 | Low | 53 Ų | 53 | 112 Ų | 112 | 37% | 0.371 | 62% | 0.619 | S | S | . | * | trans | -65.8 | 133.6 | -173.6 | 179.1 | 0 | 0 | 0 | 0 | 110.4 | L264 Y268 | L264-S266 PolarHBondContact O-N 2.9Å; S266-Y268 PolarHBondContact O-N 2.88Å; S266-Y268 WeakPolarHBondContact OG-CD2 3.47Å; S266-Y268 WeakPolarHBondContact OG-CE2 3.49Å | ||
| 267 | L | 45.1 | Very low | 55.2 | Low | 134 Ų | 134 | 113.9 Ų | 113.9 | 70% | 0.702 | 64% | 0.635 | S | S | * | * | trans | -68.1 | 29.2 | 175.7 | -73.7 | 158.6 | 0 | 0 | 0 | 113.2 | P265 H269 V270 | P265-L267 PolarHBondContact O-N 3.36Å; L267-H269 PolarHBondContact O-N 3.44Å; L267-V270 HydrophobicContact CB-CB 4.47Å; L267-V270 HydrophobicContact CB-CG2 4.27Å; L267-V270 HydrophobicContact CD2-CG2 3.9Å; L267-V270 WeakPolarHBondContact O-CB 3.38Å; L267-V270 PolarHBondContact O-N 3.26Å | ||
| 268 | Y | 46.9 | Very low | 53.2 | Low | 153 Ų | 153 | 116.6 Ų | 116.6 | 60% | 0.6 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.9 | -18.7 | -177.3 | -73.8 | -61.6 | 0 | 0 | 0 | 113.6 | S266 V270 | S266-Y268 PolarHBondContact O-N 2.88Å; S266-Y268 WeakPolarHBondContact OG-CD2 3.47Å; S266-Y268 WeakPolarHBondContact OG-CE2 3.49Å; Y268-V270 VanDerWaalsContact C-N 3.26Å; Y268-V270 PolarHBondContact O-N 3.07Å |
| 269 | H | 48.3 | Very low | 50.9 | Low | 195 Ų | 195 | 115.1 Ų | 115.1 | 90% | 0.903 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | -13.5 | 170.5 | -70.5 | -62.5 | 0 | 0 | 0 | 114.9 | L267 | L267-H269 PolarHBondContact O-N 3.44Š|
| 270 | V | 43.4 | Very low | 49 | Very low | 108 Ų | 108 | 113.2 Ų | 113.2 | 66% | 0.655 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | -21.8 | -177 | -176.5 | 0 | 0 | 0 | 0 | 112.2 | L267 Y268 | L267-V270 HydrophobicContact CB-CB 4.47Å; L267-V270 HydrophobicContact CB-CG2 4.27Å; L267-V270 HydrophobicContact CD2-CG2 3.9Å; L267-V270 WeakPolarHBondContact O-CB 3.38Å; L267-V270 PolarHBondContact O-N 3.26Å; Y268-V270 VanDerWaalsContact C-N 3.26Å; Y268-V270 PolarHBondContact O-N 3.07Å |
| 271 | L | 40.3 | Very low | 47 | Very low | 137 Ų | 137 | 119.1 Ų | 119.1 | 72% | 0.717 | 70% | 0.699 | S | S | * | * | trans | -106.7 | 43.3 | 177.4 | -64.8 | 171.8 | 0 | 0 | 0 | 111.6 | ||||
| 272 | G | 33.8 | Very low | 44.6 | Very low | 46 Ų | 46 | 122 Ų | 122 | 47% | 0.474 | 72% | 0.724 | S | S | . | * | trans | -57.3 | 153.6 | 162.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | T274 | G272-T274 PolarHBondContact O-N 3.44Š| ||
| 273 | P | 37.7 | Very low | 42.4 | Very low | 133 Ų | 133 | 127.7 Ų | 127.7 | 86% | 0.864 | 75% | 0.749 | S | S | * | * | trans | -55.3 | 120.7 | -172.9 | 19.7 | -27.6 | 0 | 0 | 0 | 109.4 | A275 | P273-A275 PolarHBondContact O-N 3.45Š| ||
| 274 | T | 36 | Very low | 40.1 | Very low | 138 Ų | 138 | 128.7 Ų | 128.7 | 85% | 0.847 | 76% | 0.759 | S | S | * | * | trans | -54.9 | 112.4 | 169 | 31.6 | 0 | 0 | 0 | 0 | 107.1 | G272 A276 | G272-T274 PolarHBondContact O-N 3.44Å; T274-A276 PolarHBondContact O-N 3.33Å | ||
| 275 | A | 35.9 | Very low | 38 | Very low | 96 Ų | 96 | 126.3 Ų | 126.3 | 79% | 0.793 | 76% | 0.761 | S | S | * | * | trans | -43.8 | 125.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | P273 D277 | P273-A275 PolarHBondContact O-N 3.45Å; A275-D277 PolarHBondContact O-N 3.16Å | ||
| 276 | A | 36 | Very low | 36.7 | Very low | 99 Ų | 99 | 128.1 Ų | 128.1 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -58.1 | 129.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | T274 | T274-A276 PolarHBondContact O-N 3.33Š|
| 277 | D | 33.9 | Very low | 35.6 | Very low | 162 Ų | 162 | 133.9 Ų | 133.9 | 87% | 0.866 | 79% | 0.785 | S | S | * | * | trans | 53 | 97.5 | 151.7 | -112.2 | -2.3 | 0 | 0 | 0 | 118.1 | A275 | A275-D277 PolarHBondContact O-N 3.16Š| ||
| 278 | A | 35.9 | Very low | 34.9 | Very low | 108 Ų | 108 | 137 Ų | 137 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | trans | -88.5 | 116 | 150.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 279 | G | 27.7 | Very low | 33.9 | Very low | 64 Ų | 64 | 134.2 Ų | 134.2 | 66% | 0.66 | 81% | 0.805 | S | S | * | * | trans | -151.6 | 154.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 280 | P | 37.6 | Very low | 32.8 | Very low | 131 Ų | 131 | 131 Ų | 131 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | -98.5 | 170.9 | -117.5 | 35.5 | -36.4 | 0 | 0 | 0 | 116.4 | |||||
| 281 | E | 33 | Very low | 32 | Very low | 192 Ų | 192 | 133.9 Ų | 133.9 | 90% | 0.897 | 81% | 0.809 | S | S | * | * | trans | -41.9 | 145.2 | 178.9 | -60.4 | 169.8 | 137.5 | 0 | 0 | 116.7 | ||||
| 282 | S | 28.4 | Very low | 32 | Very low | 124 Ų | 124 | 132.1 Ų | 132.1 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | trans | -149 | 119.8 | 147.2 | -175 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 283 | E | 30.9 | Very low | 31.6 | Very low | 180 Ų | 180 | 134.4 Ų | 134.4 | 84% | 0.841 | 82% | 0.82 | S | S | * | * | trans | -70 | 168.7 | 176 | -66.8 | 177.9 | 108.2 | 0 | 0 | 114.3 | ||||
| 284 | K | 29.5 | Very low | 31.1 | Very low | 216 Ų | 216 | 132.9 Ų | 132.9 | 94% | 0.939 | 82% | 0.819 | S | S | * | * | trans | 104 | 124.5 | 169.1 | -68.1 | -174.5 | 172.7 | -176.7 | 0 | 114.6 | ||||
| 285 | G | 25.6 | Very low | 30.7 | Very low | 62 Ų | 62 | 132 Ų | 132 | 64% | 0.639 | 82% | 0.818 | S | S | * | * | cis | 170.1 | 153.3 | 3.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 286 | D | 30.5 | Very low | 30.9 | Very low | 159 Ų | 159 | 132.8 Ų | 132.8 | 85% | 0.85 | 82% | 0.815 | S | S | * | * | trans | 60.4 | 144.6 | 156.8 | -47 | -23.8 | 0 | 0 | 0 | 118.9 | ||||
| 287 | E | 31.4 | Very low | 30.9 | Very low | 175 Ų | 175 | 134.2 Ų | 134.2 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | cis | -176.9 | 134 | -13.7 | -111.1 | -172.3 | 135.4 | 0 | 0 | 102.4 | ||||
| 288 | E | 29.7 | Very low | 30.6 | Very low | 199 Ų | 199 | 135.5 Ų | 135.5 | 93% | 0.93 | 82% | 0.817 | S | S | * | * | -171.1 | 134.1 | 129.8 | -115.5 | 177.1 | 154.3 | 0 | 0 | 112.9 | |||||
| 289 | A | 26.5 | Very low | 30.2 | Very low | 94 Ų | 94 | 135.3 Ų | 135.3 | 78% | 0.777 | 82% | 0.816 | S | S | * | * | trans | -45.6 | 166.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 290 | C | 25.9 | Very low | 30.3 | Very low | 127 Ų | 127 | 138.8 Ų | 138.8 | 86% | 0.858 | 82% | 0.824 | S | S | * | * | cis | -166.8 | 146.4 | 25.8 | -151.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 291 | E | 26.4 | Very low | 30.3 | Very low | 170 Ų | 170 | 138 Ų | 138 | 79% | 0.794 | 82% | 0.819 | S | S | * | * | trans | -54.4 | -173.8 | 171 | -85.2 | -108.6 | 108.2 | 0 | 0 | 117.1 | ||||
| 292 | P | 40 | Very low | 30 | Very low | 100 Ų | 100 | 136 Ų | 136 | 65% | 0.649 | 82% | 0.82 | S | S | * | * | cis | -140.4 | -178.3 | -23.9 | 27.2 | -4.5 | 0 | 0 | 0 | 116.2 | ||||
| 293 | A | 25 | Very low | 30 | Very low | 93 Ų | 93 | 134.5 Ų | 134.5 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | trans | 104.5 | 109 | 137.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 294 | A | 26.9 | Very low | 29.9 | Very low | 102 Ų | 102 | 134.3 Ų | 134.3 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | 162.3 | 126.2 | 107.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 295 | S | 28.2 | Very low | 30 | Very low | 119 Ų | 119 | 131.6 Ų | 131.6 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | trans | -90.8 | -177.5 | 171.3 | -38.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 296 | P | 40.4 | Very low | 30 | Very low | 113 Ų | 113 | 138.1 Ų | 138.1 | 73% | 0.734 | 82% | 0.818 | S | S | * | * | -109.8 | -164.1 | -104.6 | 37.6 | -19.1 | 0 | 0 | 0 | 112.7 | |||||
| 297 | P | 34.8 | Very low | 29.8 | Very low | 128 Ų | 128 | 136.4 Ų | 136.4 | 83% | 0.831 | 81% | 0.813 | S | S | * | * | trans | -131.7 | 141.1 | 133.1 | 34.2 | -22.4 | 0 | 0 | 0 | 114.6 | ||||
| 298 | Q | 29.1 | Very low | 29.9 | Very low | 189 Ų | 189 | 133.4 Ų | 133.4 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | trans | -71.4 | 148.7 | 161.6 | -72.7 | 176.2 | -28.4 | 0 | 0 | 111.2 | ||||
| 299 | A | 26.9 | Very low | 30.1 | Very low | 105 Ų | 105 | 129.9 Ų | 129.9 | 87% | 0.868 | 80% | 0.804 | S | S | * | * | trans | -155.8 | 119.2 | 144.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 300 | T | 28.8 | Very low | 30.1 | Very low | 136 Ų | 136 | 131.9 Ų | 131.9 | 83% | 0.834 | 81% | 0.81 | S | S | * | * | trans | -104.6 | -176.8 | 161.8 | 43 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 301 | P | 39.5 | Very low | 30.5 | Very low | 116 Ų | 116 | 131.1 Ų | 131.1 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | -123.7 | 167.2 | -65.3 | 36.1 | -20.5 | 0 | 0 | 0 | 111.4 | |||||
| 302 | T | 26.2 | Very low | 31.1 | Very low | 149 Ų | 149 | 128.6 Ų | 128.6 | 91% | 0.914 | 81% | 0.805 | S | S | * | * | trans | -130.7 | 124.6 | 163.7 | -51.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 303 | S | 28 | Very low | 31.1 | Very low | 92 Ų | 92 | 129.5 Ų | 129.5 | 64% | 0.643 | 81% | 0.811 | S | S | * | * | trans | -64.3 | 147.5 | 176.1 | 178.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 304 | L | 29.7 | Very low | 31.5 | Very low | 177 Ų | 177 | 131.3 Ų | 131.3 | 93% | 0.927 | 81% | 0.814 | S | S | * | * | -163.7 | 133.9 | 117 | -97.1 | 174 | 0 | 0 | 0 | 111.4 | |||||
| 305 | Q | 30.3 | Very low | 31.7 | Very low | 158 Ų | 158 | 130.8 Ų | 130.8 | 74% | 0.738 | 81% | 0.81 | S | S | * | * | trans | -95.2 | 141.3 | -170.7 | 177.6 | 178.2 | 21.6 | 0 | 0 | 110.2 | ||||
| 306 | Q | 26.2 | Very low | 31.9 | Very low | 199 Ų | 199 | 129.7 Ų | 129.7 | 93% | 0.93 | 81% | 0.809 | S | S | * | * | trans | -168.4 | 115.3 | 141.3 | -108.2 | 166.3 | 10.3 | 0 | 0 | 113.1 | ||||
| 307 | T | 25.1 | Very low | 31.5 | Very low | 123 Ų | 123 | 130 Ų | 130 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 151.4 | 168.6 | -1.6 | 0 | 0 | 0 | 0 | 110.8 | ||
| 308 | P | 33.4 | Very low | 31.5 | Very low | 113 Ų | 113 | 131.3 Ų | 131.3 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -99 | 157.7 | 151.7 | 16.1 | 1.4 | 0 | 0 | 0 | 112.2 | ||
| 309 | P | 34.7 | Very low | 31.6 | Very low | 125 Ų | 125 | 131 Ų | 131 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 147 | -161.4 | 32 | -34.5 | 0 | 0 | 0 | 115.2 | ||
| 310 | C | 27.5 | Very low | 32 | Very low | 136 Ų | 136 | 131.9 Ų | 131.9 | 92% | 0.919 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 132.7 | 169.9 | -73.3 | 0 | 0 | 0 | 0 | 112.6 | ||
| 311 | S | 32.8 | Very low | 32.2 | Very low | 111 Ų | 111 | 129.9 Ų | 129.9 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 143.3 | 165.5 | -37.4 | 0 | 0 | 0 | 0 | 110.2 | ||
| 312 | P | 40.5 | Very low | 32 | Very low | 116 Ų | 116 | 129.9 Ų | 129.9 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 153.9 | 177.2 | 30.5 | -32.7 | 0 | 0 | 0 | 112.3 | ||
| 313 | P | 38.2 | Very low | 32.4 | Very low | 120 Ų | 120 | 128.8 Ų | 128.8 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 143.4 | -177.6 | 32.1 | -32.8 | 0 | 0 | 0 | 111.4 | ||
| 314 | P | 35.2 | Very low | 32.6 | Very low | 130 Ų | 130 | 130.2 Ų | 130.2 | 84% | 0.844 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 147.5 | 171.4 | 30.5 | -30.1 | 0 | 0 | 0 | 111.5 | ||
| 315 | A | 29.8 | Very low | 32.8 | Very low | 92 Ų | 92 | 133.4 Ų | 133.4 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -58 | 146.9 | -175 | 0 | 0 | 0 | 0 | 0 | 114.2 | T317 | A315-T317 PolarHBondContact O-N 3.06Š|
| 316 | A | 32.9 | Very low | 33 | Very low | 96 Ų | 96 | 130.5 Ų | 130.5 | 79% | 0.793 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 118.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 317 | T | 31.8 | Very low | 33.6 | Very low | 118 Ų | 118 | 131.4 Ų | 131.4 | 72% | 0.724 | 80% | 0.802 | S | S | * | * | trans | -114.2 | 106.9 | 162.2 | -4.6 | 0 | 0 | 0 | 0 | 108 | A315 F319 | A315-T317 PolarHBondContact O-N 3.06Å; T317-F319 HydrophobicContact CG2-CE2 4.48Å; T317-F319 PolarHBondContact O-N 3.34Å | ||
| 318 | N | 34 | Very low | 34 | Very low | 157 Ų | 157 | 133.4 Ų | 133.4 | 84% | 0.84 | 81% | 0.807 | S | S | * | * | trans | -65.2 | 117.5 | 174.7 | -71.8 | -49.4 | 0 | 0 | 0 | 110.3 | ||||
| 319 | F | 31.4 | Very low | 34.2 | Very low | 181 Ų | 181 | 132.9 Ų | 132.9 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | trans | -124 | 128.4 | 159.5 | -77.1 | -78.3 | 0 | 0 | 0 | 108.8 | T317 | T317-F319 HydrophobicContact CG2-CE2 4.48Å; T317-F319 PolarHBondContact O-N 3.34Å | ||
| 320 | P | 35.1 | Very low | 34.7 | Very low | 125 Ų | 125 | 133.4 Ų | 133.4 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 137.1 | -179.2 | 26.8 | -30.5 | 0 | 0 | 0 | 111.5 | ||
| 321 | A | 33.8 | Very low | 35 | Very low | 93 Ų | 93 | 131.8 Ų | 131.8 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 140.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 322 | P | 35.3 | Very low | 35.1 | Very low | 117 Ų | 117 | 133 Ų | 133 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 150.3 | 172.9 | 29.7 | -31.5 | 0 | 0 | 0 | 110.9 | ||
| 323 | P | 34.8 | Very low | 35.1 | Very low | 125 Ų | 125 | 132.5 Ų | 132.5 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 144.6 | -175.1 | 26.1 | -32.7 | 0 | 0 | 0 | 112.1 | R325 | P323-R325 PolarHBondContact O-N 3.49Š|
| 324 | S | 31.8 | Very low | 34.8 | Very low | 122 Ų | 122 | 129.8 Ų | 129.8 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | trans | -59.2 | 114 | 178 | 41.9 | 0 | 0 | 0 | 0 | 111.2 | A326 | S324-A326 PolarHBondContact O-N 2.95Š| ||
| 325 | R | 34.8 | Very low | 34.8 | Very low | 244 Ų | 244 | 130.4 Ų | 130.4 | 92% | 0.921 | 77% | 0.765 | S | S | * | * | trans | -69.9 | 115.4 | 169.3 | -158.1 | 175.7 | -161.2 | 158.9 | 3.7 | 107.9 | P323 R327 | P323-R325 PolarHBondContact O-N 3.49Å; R325-R327 PolarHBondContact O-N 2.85Å | ||
| 326 | A | 34.8 | Very low | 34.9 | Very low | 97 Ų | 97 | 133.7 Ų | 133.7 | 80% | 0.802 | 77% | 0.769 | S | S | * | * | trans | -49.8 | 122.2 | 172 | 0 | 0 | 0 | 0 | 0 | 109.6 | S324 L328 | S324-A326 PolarHBondContact O-N 2.95Å; A326-L328 PolarHBondContact O-N 3.38Å | ||
| 327 | R | 38.6 | Very low | 34.9 | Very low | 218 Ų | 218 | 133.4 Ų | 133.4 | 82% | 0.823 | 77% | 0.767 | S | S | * | * | trans | -72.9 | 119.5 | 179.3 | -173.5 | -179 | -71.6 | -132.6 | 0.8 | 107.9 | R325 S329 | R325-R327 PolarHBondContact O-N 2.85Å; R327-S329 PolarHBondContact O-N 3.03Å | ||
| 328 | L | 33.2 | Very low | 34.9 | Very low | 166 Ų | 166 | 132.9 Ų | 132.9 | 87% | 0.869 | 77% | 0.768 | S | S | * | * | trans | -68.9 | 113.1 | 176.2 | -154.5 | 77 | 0 | 0 | 0 | 108.4 | A326 | A326-L328 PolarHBondContact O-N 3.38Š| ||
| 329 | S | 38.2 | Very low | 34.6 | Very low | 101 Ų | 101 | 137.2 Ų | 137.2 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 145 | 167 | 2.6 | 0 | 0 | 0 | 0 | 109.5 | R327 | R327-S329 PolarHBondContact O-N 3.03Š|
| 330 | R | 45.2 | Very low | 34.6 | Very low | 137 Ų | 137 | 136.3 Ų | 136.3 | 52% | 0.517 | 77% | 0.774 | S | S | . | * | P | Polyproline II helix | trans | -51.5 | 129.3 | 172.8 | -171.7 | 172.6 | 176.7 | -179.3 | -9 | 109.2 | D332 | R330-D332 PolarHBondContact O-N 3.38Š|
| 331 | P | 32.1 | Very low | 34.5 | Very low | 102 Ų | 102 | 136.2 Ų | 136.2 | 66% | 0.662 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | 131.2 | 176.5 | 27.3 | -29.4 | 0 | 0 | 0 | 107.5 | ||
| 332 | D | 37 | Very low | 34.2 | Very low | 136 Ų | 136 | 140.3 Ų | 140.3 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 119.6 | -5.5 | 167.8 | -55.6 | -23.8 | 0 | 0 | 0 | 117.2 | R330 G334 | R330-D332 PolarHBondContact O-N 3.38Å; D332-G334 PolarHBondContact O-N 3.14Å |
| 333 | S | 39.4 | Very low | 33.8 | Very low | 105 Ų | 105 | 143.2 Ų | 143.2 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | -6.2 | 173.5 | -41.5 | 0 | 0 | 0 | 0 | 114.4 | ||
| 334 | G | 32.5 | Very low | 33.5 | Very low | 63 Ų | 63 | 141.8 Ų | 141.8 | 65% | 0.649 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102 | -14.2 | -170.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | D332 | D332-G334 PolarHBondContact O-N 3.14Š|
| 335 | I | 33.8 | Very low | 33.3 | Very low | 144 Ų | 144 | 146.8 Ų | 146.8 | 74% | 0.738 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -95.3 | -15.2 | -166.5 | -64.6 | 176.9 | 0 | 0 | 0 | 113.4 | ||
| 336 | L | 33 | Very low | 33.2 | Very low | 160 Ų | 160 | 140.8 Ų | 140.8 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -95 | -5.6 | 178.1 | -111.4 | 87.2 | 0 | 0 | 0 | 115.1 | ||
| 337 | A | 33.3 | Very low | 33.1 | Very low | 91 Ų | 91 | 142.1 Ų | 142.1 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -90.9 | 5.8 | -169.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 338 | S | 31.5 | Very low | 32.7 | Very low | 106 Ų | 106 | 138.2 Ų | 138.2 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | trans | -141.4 | 81.1 | 178.1 | -174.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 339 | R | 27.9 | Very low | 32.6 | Very low | 248 Ų | 248 | 138 Ų | 138 | 94% | 0.936 | 77% | 0.774 | S | S | * | * | trans | -147.7 | 95.2 | 149 | -73.3 | -160.6 | -171.6 | -161.4 | 2.3 | 110 | ||||
| 340 | I | 30.4 | Very low | 32.2 | Very low | 162 Ų | 162 | 138.6 Ų | 138.6 | 83% | 0.831 | 78% | 0.778 | S | S | * | * | trans | -111.7 | 136.9 | 152.1 | -65.3 | 179.4 | 0 | 0 | 0 | 105.9 | ||||
| 341 | P | 32.6 | Very low | 31.9 | Very low | 123 Ų | 123 | 143.7 Ų | 143.7 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 126.4 | -159.1 | 31.7 | -31 | 0 | 0 | 0 | 111.6 | ||
| 342 | L | 27.9 | Very low | 31.9 | Very low | 180 Ų | 180 | 142.7 Ų | 142.7 | 94% | 0.942 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -99.9 | 136.9 | 163.8 | -88.8 | 166.3 | 0 | 0 | 0 | 110.6 | ||
| 343 | Q | 26.9 | Very low | 31.7 | Very low | 178 Ų | 178 | 145.6 Ų | 145.6 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 142.7 | -167.8 | -166.7 | 170 | 3.4 | 0 | 0 | 112.2 | ||
| 344 | S | 28 | Very low | 31.5 | Very low | 94 Ų | 94 | 145 Ų | 145 | 66% | 0.657 | 82% | 0.816 | S | S | * | * | trans | 52.8 | 124.6 | 158.7 | 68 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 345 | Y | 27.3 | Very low | 31.9 | Very low | 228 Ų | 228 | 148.2 Ų | 148.2 | 89% | 0.894 | 83% | 0.825 | S | S | * | * | -173.6 | 117.8 | 125 | -103.9 | -76.4 | 0 | 0 | 0 | 109.3 | |||||
| 346 | S | 33.2 | Very low | 32 | Very low | 118 Ų | 118 | 149.9 Ų | 149.9 | 83% | 0.825 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 133.8 | 170.2 | -55.4 | 0 | 0 | 0 | 0 | 109.9 | ||
| 347 | P | 32.4 | Very low | 32.3 | Very low | 125 Ų | 125 | 146.8 Ų | 146.8 | 81% | 0.812 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -99.7 | 128.5 | 164.5 | 30.7 | -20.1 | 0 | 0 | 0 | 111.1 | ||
| 348 | V | 31 | Very low | 32.7 | Very low | 136 Ų | 136 | 148.6 Ų | 148.6 | 82% | 0.824 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 135.8 | 173.8 | 169.9 | 0 | 0 | 0 | 0 | 111.3 | ||
| 349 | I | 31.8 | Very low | 33.2 | Very low | 162 Ų | 162 | 149.7 Ų | 149.7 | 83% | 0.831 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -70 | 122.9 | 169.6 | -68.2 | 166.2 | 0 | 0 | 0 | 108.7 | ||
| 350 | S | 29.7 | Very low | 33.9 | Very low | 113 Ų | 113 | 147.1 Ų | 147.1 | 79% | 0.79 | 84% | 0.836 | S | S | * | * | trans | -124.4 | 121.4 | 166 | -167.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 351 | R | 37.4 | Very low | 34.7 | Very low | 244 Ų | 244 | 145.5 Ų | 145.5 | 92% | 0.921 | 84% | 0.835 | S | S | * | * | trans | -73.3 | 133 | 172.8 | -86 | 175.6 | 162.2 | 173.3 | -5.4 | 109.6 | ||||
| 352 | G | 32.8 | Very low | 35.6 | Very low | 81 Ų | 81 | 145.7 Ų | 145.7 | 84% | 0.835 | 84% | 0.836 | S | S | * | * | trans | -154.7 | 128 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 353 | Q | 32.7 | Very low | 36.3 | Very low | 197 Ų | 197 | 145.8 Ų | 145.8 | 92% | 0.921 | 83% | 0.831 | S | S | * | * | trans | -85.1 | 155.3 | -162.3 | -158.3 | 160.8 | -43.6 | 0 | 0 | 113.4 | ||||
| 354 | A | 35.9 | Very low | 36.7 | Very low | 92 Ų | 92 | 149.1 Ų | 149.1 | 76% | 0.76 | 85% | 0.853 | S | S | * | * | trans | -75.2 | 163 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 355 | P | 40.3 | Very low | 37.2 | Very low | 130 Ų | 130 | 151.9 Ų | 151.9 | 84% | 0.844 | 86% | 0.863 | S | S | * | * | trans | -123.9 | 148.4 | 149 | 29.2 | -12.4 | 0 | 0 | 0 | 114.3 | ||||
| 356 | L | 35.2 | Very low | 37.7 | Very low | 180 Ų | 180 | 147.8 Ų | 147.8 | 94% | 0.942 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 151.5 | -174.5 | -67.1 | 140.8 | 0 | 0 | 0 | 113.7 | ||
| 357 | A | 39.3 | Very low | 37.9 | Very low | 94 Ų | 94 | 149.5 Ų | 149.5 | 78% | 0.777 | 86% | 0.864 | S | S | * | * | P | Polyproline II helix | trans | -102.6 | 143.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 358 | P | 42.8 | Very low | 38.3 | Very low | 129 Ų | 129 | 150.9 Ų | 150.9 | 84% | 0.838 | 87% | 0.867 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 137.9 | 180 | 13.2 | 3.5 | 0 | 0 | 0 | 112.8 | ||
| 359 | T | 42.6 | Very low | 38.7 | Very low | 129 Ų | 129 | 151.9 Ų | 151.9 | 79% | 0.791 | 87% | 0.869 | S | S | * | * | P | Polyproline II helix | trans | -74 | 132.9 | 167.5 | 38.9 | 0 | 0 | 0 | 0 | 111.9 | ||
| 360 | H | 42 | Very low | 39.2 | Very low | 194 Ų | 194 | 151.2 Ų | 151.2 | 90% | 0.898 | 87% | 0.872 | S | S | * | * | trans | -157.2 | 112.8 | 147.8 | -106 | -73 | 0 | 0 | 0 | 110.8 | ||||
| 361 | T | 46.4 | Very low | 39.9 | Very low | 129 Ų | 129 | 153.9 Ų | 153.9 | 79% | 0.791 | 88% | 0.878 | S | S | * | * | trans | -84 | 161.1 | 161.5 | 34.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 362 | P | 51.1 | Low | 40 | Very low | 127 Ų | 127 | 147 Ų | 147 | 83% | 0.825 | 87% | 0.874 | S | S | * | * | trans | -125.2 | 143 | 139.3 | 33 | -21.2 | 0 | 0 | 0 | 112.1 | ||||
| 363 | E | 43.3 | Very low | 40.6 | Very low | 182 Ų | 182 | 152.5 Ų | 152.5 | 85% | 0.85 | 88% | 0.878 | S | S | * | * | trans | -75.5 | 142.6 | 174.1 | -65.2 | -173 | 141.3 | 0 | 0 | 112.3 | ||||
| 364 | L | 36.1 | Very low | 41.4 | Very low | 247 Ų | 247 | 148.5 Ų | 148.5 | 100% | 1.293 | 87% | 0.874 | S | S | * | * | -165.8 | 0 | 120.9 | -108.9 | 147.8 | 0 | 0 | 0 | 110.3 |
Retrieved 364 of 364 residues in 1422 ms
(Link to these results)