| 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 | 48.2 | Very low | 54.5 | Low | 255 Ų | 255 | 136.5 Ų | 136.5 | 100% | 1.256 | 85% | 0.854 | S | S | * | * | 0 | 136 | 0 | -72.2 | 167 | 168.1 | 0 | 0 | 107.6 | |||||
| 2 | A | 41.6 | Very low | 54.8 | Low | 107 Ų | 107 | 136.1 Ų | 136.1 | 88% | 0.884 | 85% | 0.854 | S | S | * | * | trans | -146.8 | 146.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 3 | E | 43.3 | Very low | 55 | Low | 198 Ų | 198 | 131.4 Ų | 131.4 | 93% | 0.925 | 85% | 0.848 | S | S | * | * | trans | -91.9 | 144.5 | -163 | -163.7 | 175.1 | 120.6 | 0 | 0 | 112.3 | ||||
| 4 | A | 45.6 | Very low | 54.9 | Low | 97 Ų | 97 | 131.7 Ų | 131.7 | 80% | 0.802 | 85% | 0.847 | S | S | * | * | trans | -109.2 | 111.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 5 | G | 53.6 | Low | 55 | Low | 66 Ų | 66 | 128.1 Ų | 128.1 | 68% | 0.68 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 153.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 6 | P | 59.5 | Low | 55.4 | Low | 137 Ų | 137 | 123.9 Ų | 123.9 | 89% | 0.89 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 134.5 | -176.2 | 29.4 | -34.8 | 0 | 0 | 0 | 112.4 | ||
| 7 | Q | 54.4 | Low | 55.9 | Low | 198 Ų | 198 | 130.2 Ų | 130.2 | 93% | 0.925 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 140.8 | 176 | -158.6 | 171.8 | 39 | 0 | 0 | 111 | ||
| 8 | A | 62.7 | Low | 56.6 | Low | 86 Ų | 86 | 130.6 Ų | 130.6 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 152.6 | -176 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 9 | P | 66.7 | Low | 57.1 | Low | 120 Ų | 120 | 129.8 Ų | 129.8 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 151.1 | -178 | 29.5 | -36 | 0 | 0 | 0 | 113.3 | ||
| 10 | P | 63.2 | Low | 57.9 | Low | 117 Ų | 117 | 130.4 Ų | 130.4 | 76% | 0.76 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 153.2 | 179.2 | 31.2 | -35.7 | 0 | 0 | 0 | 112.9 | ||
| 11 | P | 60.5 | Low | 59.1 | Low | 121 Ų | 121 | 126.6 Ų | 126.6 | 79% | 0.786 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 150.2 | -178.5 | 31 | -35.8 | 0 | 0 | 0 | 113.1 | ||
| 12 | P | 58.2 | Low | 61 | Low | 131 Ų | 131 | 117.8 Ų | 117.8 | 85% | 0.851 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 156.4 | -179.1 | 33.7 | -35.9 | 0 | 0 | 0 | 113.2 | ||
| 13 | G | 57.3 | Low | 63.2 | Low | 75 Ų | 75 | 114.6 Ų | 114.6 | 77% | 0.773 | 69% | 0.687 | S | S | * | * | trans | 105.1 | 35.1 | 154.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | P15 | G13-P15 WeakPolarHBondContact O-CD 3.2Š| ||
| 14 | T | 53.8 | Low | 65.2 | Low | 136 Ų | 136 | 108 Ų | 108 | 83% | 0.834 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -82 | 117.1 | 162.3 | 54 | 0 | 0 | 0 | 0 | 110.8 | S16 | T14-S16 PolarHBondContact O-N 3.31Š|
| 15 | P | 56.2 | Low | 67.3 | Low | 78 Ų | 78 | 104.8 Ų | 104.8 | 51% | 0.506 | 63% | 0.627 | S | S | . | * | P | Polyproline II helix | trans | -65.4 | 130.5 | -179.3 | 22.9 | -32.8 | 0 | 0 | 0 | 111.9 | G13 K20 | G13-P15 WeakPolarHBondContact O-CD 3.2Å; P15-K20 PolarHBondContact O-NZ 3.32Å |
| 16 | S | 61.7 | Low | 69.1 | Low | 60 Ų | 60 | 103.8 Ų | 103.8 | 42% | 0.42 | 61% | 0.608 | S | S | . | * | P | Polyproline II helix | trans | -59.8 | 140.4 | -162.9 | -178.6 | 0 | 0 | 0 | 0 | 112.7 | T14 H18 E19 | T14-S16 PolarHBondContact O-N 3.31Å; S16-H18 PolarHBondContact O-N 3.35Å; S16-H18 VanDerWaalsContact O-N 3.09Å; S16-H18 PolarHBondContact OG-N 3.48Å; S16-E19 WeakPolarHBondContact CB-OE1 3.49Å; S16-E19 PolarHBondContact N-OE1 2.9Å; S16-E19 PolarHBondContact N-OE2 2.99Å; S16-E19 WeakPolarHBondContact O-CB 3.39Å; S16-E19 PolarHBondContact O-N 3.37Å; S16-E19 VanDerWaalsContact O-N 3.12Å |
| 17 | R | 64.4 | Low | 70.5 | Confident | 232 Ų | 232 | 101.5 Ų | 101.5 | 88% | 0.875 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -56.3 | -28.3 | 176.8 | -175.7 | 175.6 | 178.4 | -112.9 | 2.3 | 112.2 | K20 | R17-K20 PolarHBondContact O-N 2.97Š|
| 18 | H | 67.6 | Low | 72 | Confident | 136 Ų | 136 | 97.5 Ų | 97.5 | 63% | 0.63 | 57% | 0.571 | S | S | * | * | G | 310 helix | trans | -65 | -39.4 | 178.8 | -173.3 | 88.6 | 0 | 0 | 0 | 113 | S16 K20 S21 | S16-H18 PolarHBondContact O-N 3.35Å; S16-H18 VanDerWaalsContact O-N 3.09Å; S16-H18 PolarHBondContact OG-N 3.48Å; H18-K20 PolarHBondContact O-N 3.42Å; H18-K20 VanDerWaalsContact O-N 3.08Å; H18-S21 WeakPolarHBondContact O-CB 3.35Å; H18-S21 PolarHBondContact O-N 3.33Å |
| 19 | E | 67.1 | Low | 73.3 | Confident | 117 Ų | 117 | 93.4 Ų | 93.4 | 55% | 0.547 | 54% | 0.538 | S | S | . | . | G | 310 helix | trans | -63.1 | -18.5 | -178.7 | -63.8 | 159.4 | -162.9 | 0 | 0 | 113.3 | S16 | S16-E19 WeakPolarHBondContact CB-OE1 3.49Å; S16-E19 PolarHBondContact N-OE1 2.9Å; S16-E19 PolarHBondContact N-OE2 2.99Å; S16-E19 WeakPolarHBondContact O-CB 3.39Å; S16-E19 PolarHBondContact O-N 3.37Å; S16-E19 VanDerWaalsContact O-N 3.12Å |
| 20 | K | 72.6 | Confident | 74.3 | Confident | 140 Ų | 140 | 89.2 Ų | 89.2 | 61% | 0.609 | 51% | 0.51 | S | S | * | . | G | 310 helix | trans | -109.9 | 11.5 | -179.2 | -59.9 | 164.6 | -171.4 | 157.2 | 0 | 112.2 | P15 R17 H18 | P15-K20 PolarHBondContact O-NZ 3.32Å; R17-K20 PolarHBondContact O-N 2.97Å; H18-K20 PolarHBondContact O-N 3.42Å; H18-K20 VanDerWaalsContact O-N 3.08Å |
| 21 | S | 83.4 | Confident | 75.5 | Confident | 51 Ų | 51 | 86.5 Ų | 86.5 | 36% | 0.357 | 49% | 0.493 | S | S | . | . | trans | -65.8 | 138.2 | 180 | -176.7 | 0 | 0 | 0 | 0 | 111.2 | H18 G23 L24 L25 | H18-S21 WeakPolarHBondContact O-CB 3.35Å; H18-S21 PolarHBondContact O-N 3.33Å; S21-G23 PolarHBondContact O-N 3.41Å; S21-G23 PolarHBondContact OG-N 2.86Å; S21-L24 PolarHBondContact O-N 2.7Å; S21-L25 PolarHBondContact O-N 2.78Å | ||
| 22 | L | 87 | Confident | 76.8 | Confident | 71 Ų | 71 | 82.6 Ų | 82.6 | 37% | 0.372 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -57.4 | -39.2 | 173.6 | -174.3 | 65.6 | 0 | 0 | 0 | 111 | L24 L25 T26 R57 D60 I61 | L22-L24 VanDerWaalsContact C-N 3.32Å; L22-L24 PolarHBondContact O-N 3.16Å; L22-L25 CarbonylContact O-C 3.57Å; L22-L25 WeakPolarHBondContact O-CA 3.12Å; L22-L25 WeakPolarHBondContact O-CB 3.27Å; L22-L25 PolarHBondContact O-N 3.25Å; L22-L25 VanDerWaalsContact O-N 3.09Å; L22-T26 PolarHBondContact O-N 3.26Å; L22-T26 PolarHBondContact O-OG1 3.45Å; L22-T26 VanDerWaalsContact O-OG1 3.05Å; L22-R57 HydrophobicContact CD1-CB 4.36Å; L22-D60 HydrophobicContact CD1-CB 4.05Å; L22-D60 HydrophobicContact CD2-CB 4.04Å; L22-I61 HydrophobicContact CD1-CD1 4.23Å; L22-I61 HydrophobicContact CD1-CG1 3.91Å |
| 23 | G | 87.6 | Confident | 78.1 | Confident | 39 Ų | 39 | 76.4 Ų | 76.4 | 40% | 0.402 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60.7 | -37 | 179 | 0 | 0 | 0 | 0 | 0 | 113.7 | S21 L25 T26 T27 | S21-G23 PolarHBondContact O-N 3.41Å; S21-G23 PolarHBondContact OG-N 2.86Å; G23-L25 VanDerWaalsContact C-N 3.34Å; G23-T26 WeakPolarHBondContact O-CB 3.19Å; G23-T26 PolarHBondContact O-N 3.05Å; G23-T27 PolarHBondContact O-N 3.38Å; G23-T27 PolarHBondContact O-OG1 2.99Å; G23-T27 VanDerWaalsContact O-OG1 3.11Å |
| 24 | L | 87.1 | Confident | 79.2 | Confident | 61 Ų | 61 | 77 Ų | 77 | 32% | 0.319 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -69.9 | -32.9 | 176.4 | -176.6 | 62.8 | 0 | 0 | 0 | 111.8 | S21 L22 K28 | S21-L24 PolarHBondContact O-N 2.7Å; L22-L24 VanDerWaalsContact C-N 3.32Å; L22-L24 PolarHBondContact O-N 3.16Å; L24-K28 WeakPolarHBondContact O-CG 3.21Å; L24-K28 PolarHBondContact O-N 3.4Å |
| 25 | L | 89.3 | Confident | 80.5 | Confident | 29 Ų | 29 | 78.1 Ų | 78.1 | 15% | 0.152 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -68.5 | -42.3 | 169.7 | -63.8 | 176.1 | 0 | 0 | 0 | 110.9 | S21 L22 G23 K28 F29 V52 R57 I61 | S21-L25 PolarHBondContact O-N 2.78Å; L22-L25 CarbonylContact O-C 3.57Å; L22-L25 WeakPolarHBondContact O-CA 3.12Å; L22-L25 WeakPolarHBondContact O-CB 3.27Å; L22-L25 PolarHBondContact O-N 3.25Å; L22-L25 VanDerWaalsContact O-N 3.09Å; G23-L25 VanDerWaalsContact C-N 3.34Å; L25-K28 PolarHBondContact O-N 3.38Å; L25-F29 WeakPolarHBondContact O-CB 3.35Å; L25-F29 PolarHBondContact O-N 2.77Å; L25-V52 HydrophobicContact CD1-CG1 4.27Å; L25-V52 HydrophobicContact CD2-CG2 4.25Å; L25-R57 HydrophobicContact CD1-CB 4.08Å; L25-R57 HydrophobicContact CD1-CG 4.38Å; L25-I61 HydrophobicContact CB-CD1 3.88Å |
| 26 | T | 90.8 | Very high | 81.6 | Confident | 45 Ų | 45 | 75.1 Ų | 75.1 | 28% | 0.276 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.1 | -48.2 | 176.3 | -53.1 | 0 | 0 | 0 | 0 | 111.7 | L22 G23 K28 F29 V30 I61 | L22-T26 PolarHBondContact O-N 3.26Å; L22-T26 PolarHBondContact O-OG1 3.45Å; L22-T26 VanDerWaalsContact O-OG1 3.05Å; G23-T26 WeakPolarHBondContact O-CB 3.19Å; G23-T26 PolarHBondContact O-N 3.05Å; T26-K28 PolarHBondContact O-N 3.34Å; T26-F29 PolarHBondContact O-N 3.23Å; T26-V30 HydrophobicContact CG2-CG2 4.34Å; T26-V30 WeakPolarHBondContact O-CB 3.41Å; T26-V30 WeakPolarHBondContact O-CG2 3.26Å; T26-V30 PolarHBondContact O-N 3.49Å; T26-I61 HydrophobicContact CG2-CG2 4.31Å |
| 27 | T | 88.2 | Confident | 82.1 | Confident | 89 Ų | 89 | 80.6 Ų | 80.6 | 55% | 0.546 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -57 | -49.9 | 178.4 | -54.4 | 0 | 0 | 0 | 0 | 111.2 | G23 F29 V30 S31 | G23-T27 PolarHBondContact O-N 3.38Å; G23-T27 PolarHBondContact O-OG1 2.99Å; G23-T27 VanDerWaalsContact O-OG1 3.11Å; T27-F29 PolarHBondContact O-N 3.24Å; T27-V30 PolarHBondContact O-N 3.26Å; T27-S31 PolarHBondContact O-N 3.11Å; T27-S31 PolarHBondContact O-OG 2.85Å |
| 28 | K | 87.8 | Confident | 82.5 | Confident | 114 Ų | 114 | 74.2 Ų | 74.2 | 50% | 0.496 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -67.4 | -35.7 | 179.2 | -66.7 | -177.8 | 176.9 | -170.8 | 0 | 112.9 | L24 L25 T26 S31 L32 L50 | L24-K28 WeakPolarHBondContact O-CG 3.21Å; L24-K28 PolarHBondContact O-N 3.4Å; L25-K28 PolarHBondContact O-N 3.38Å; T26-K28 PolarHBondContact O-N 3.34Å; K28-S31 PolarHBondContact O-N 3.3Å; K28-L32 WeakPolarHBondContact O-CG 3.28Å; K28-L32 PolarHBondContact O-N 3.16Å; K28-L50 HydrophobicContact CB-CD2 3.27Å; K28-L50 HydrophobicContact CD-CD2 4.19Å; K28-L50 HydrophobicContact CG-CD2 4.38Å |
| 29 | F | 89.6 | Confident | 83 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.5 | -42.3 | 175.5 | -175.3 | -87.8 | 0 | 0 | 0 | 111.3 | L25 T26 T27 L32 L33 L41 L43 A46 L50 I58 I61 T62 L65 I79 | L25-F29 WeakPolarHBondContact O-CB 3.35Å; L25-F29 PolarHBondContact O-N 2.77Å; T26-F29 PolarHBondContact O-N 3.23Å; T27-F29 PolarHBondContact O-N 3.24Å; F29-L32 PolarHBondContact O-N 3.32Å; F29-L33 HydrophobicContact CD1-CD2 4.49Å; F29-L33 HydrophobicContact CE1-CD2 4.04Å; F29-L33 VanDerWaalsContact O-CB 3.29Å; F29-L33 WeakPolarHBondContact O-CB 3.45Å; F29-L33 PolarHBondContact O-N 2.85Å; F29-L41 HydrophobicContact CD2-CD2 4.47Å; F29-L41 HydrophobicContact CE1-CD2 4.45Å; F29-L41 HydrophobicContact CE2-CD2 4.08Å; F29-L41 HydrophobicContact CZ-CD2 4.07Å; F29-L43 HydrophobicContact CE2-CD2 4.03Å; F29-L43 HydrophobicContact CZ-CD2 3.9Å; F29-A46 HydrophobicContact CD2-CB 4.38Å; F29-A46 HydrophobicContact CE2-CB 4.2Å; F29-L50 HydrophobicContact CB-CD1 3.91Å; F29-L50 HydrophobicContact CD2-CD1 3.74Å; F29-L50 HydrophobicContact CG-CD1 4.33Å; F29-I58 HydrophobicContact CD2-CD1 4.15Å; F29-I58 HydrophobicContact CE2-CD1 4.27Å; F29-I58 HydrophobicContact CE2-CG2 4.03Å; F29-I61 HydrophobicContact CB-CD1 4.27Å; F29-I61 HydrophobicContact CB-CG2 4.37Å; F29-I61 HydrophobicContact CD1-CG2 3.54Å; F29-I61 HydrophobicContact CE1-CG2 3.91Å; F29-I61 HydrophobicContact CG-CD1 4.48Å; F29-I61 HydrophobicContact CG-CG2 3.95Å; F29-T62 HydrophobicContact CE1-CG2 4.45Å; F29-T62 HydrophobicContact CZ-CG2 3.81Å; F29-L65 HydrophobicContact CD1-CD1 4.25Å; F29-L65 HydrophobicContact CE1-CD1 4.07Å; F29-I79 HydrophobicContact CE1-CD1 3.87Å; F29-I79 HydrophobicContact CZ-CD1 3.6Å |
| 30 | V | 87.8 | Confident | 83.9 | Confident | 32 Ų | 32 | 64.2 Ų | 64.2 | 19% | 0.194 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.6 | -40.3 | 174.7 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | T26 T27 L33 Q34 | T26-V30 HydrophobicContact CG2-CG2 4.34Å; T26-V30 WeakPolarHBondContact O-CB 3.41Å; T26-V30 WeakPolarHBondContact O-CG2 3.26Å; T26-V30 PolarHBondContact O-N 3.49Å; T27-V30 PolarHBondContact O-N 3.26Å; V30-L33 PolarHBondContact O-N 3Å; V30-Q34 HydrophobicContact CG1-CG 4.34Å; V30-Q34 WeakPolarHBondContact O-CB 3.41Å; V30-Q34 VanDerWaalsContact O-CG 3.31Å; V30-Q34 WeakPolarHBondContact O-CG 3.3Å; V30-Q34 PolarHBondContact O-N 2.59Å |
| 31 | S | 86.8 | Confident | 84.7 | Confident | 59 Ų | 59 | 58.1 Ų | 58.1 | 41% | 0.413 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.1 | -47.9 | 172.8 | -58.3 | 0 | 0 | 0 | 0 | 112.2 | T27 K28 L33 Q34 E35 | T27-S31 PolarHBondContact O-N 3.11Å; T27-S31 PolarHBondContact O-OG 2.85Å; K28-S31 PolarHBondContact O-N 3.3Å; S31-L33 PolarHBondContact O-N 2.74Å; S31-Q34 PolarHBondContact O-N 3.48Å; S31-E35 WeakPolarHBondContact O-CB 3.21Å; S31-E35 PolarHBondContact O-N 3.01Å |
| 32 | L | 87.9 | Confident | 85 | Confident | 39 Ų | 39 | 58.8 Ų | 58.8 | 20% | 0.204 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.3 | -31.4 | 176.1 | -69.2 | 173.7 | 0 | 0 | 0 | 112.9 | K28 F29 A36 L41 T49 L50 | K28-L32 WeakPolarHBondContact O-CG 3.28Å; K28-L32 PolarHBondContact O-N 3.16Å; F29-L32 PolarHBondContact O-N 3.32Å; L32-A36 VanDerWaalsContact O-CB 3.26Å; L32-A36 WeakPolarHBondContact O-CB 3.11Å; L32-A36 PolarHBondContact O-N 3.45Å; L32-L41 HydrophobicContact CB-CD1 4.27Å; L32-L41 HydrophobicContact CB-CD2 4.41Å; L32-T49 HydrophobicContact CD1-CG2 3.91Å; L32-T49 HydrophobicContact CD2-CG2 4.03Å; L32-L50 HydrophobicContact CD1-CD1 4.28Å; L32-L50 HydrophobicContact CD1-CD2 3.91Å; L32-L50 HydrophobicContact CD1-CG 3.82Å |
| 33 | L | 86.1 | Confident | 85.2 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -79.1 | -23.3 | 178.8 | -172.9 | 53.5 | 0 | 0 | 0 | 113.2 | F29 V30 S31 L41 I71 I79 W81 | F29-L33 HydrophobicContact CD1-CD2 4.49Å; F29-L33 HydrophobicContact CE1-CD2 4.04Å; F29-L33 VanDerWaalsContact O-CB 3.29Å; F29-L33 WeakPolarHBondContact O-CB 3.45Å; F29-L33 PolarHBondContact O-N 2.85Å; V30-L33 PolarHBondContact O-N 3Å; S31-L33 PolarHBondContact O-N 2.74Å; L33-L41 HydrophobicContact CB-CD2 4Å; L33-L41 HydrophobicContact CD1-CB 3.58Å; L33-L41 HydrophobicContact CD1-CD2 4.13Å; L33-I71 HydrophobicContact CD2-CG2 3.75Å; L33-I79 HydrophobicContact CD1-CD1 4.14Å; L33-I79 HydrophobicContact CD1-CG1 4.39Å; L33-I79 HydrophobicContact CD2-CD1 4.02Å; L33-W81 HydrophobicContact CD1-CB 4.07Å; L33-W81 HydrophobicContact CD2-CD2 4.42Å; L33-W81 HydrophobicContact CD2-CE3 3.51Å; L33-W81 HydrophobicContact CD2-CZ3 4.13Å; L33-W81 HydrophobicContact CG-CB 4.1Å; L33-W81 HydrophobicContact CG-CD2 4.38Å; L33-W81 HydrophobicContact CG-CE3 3.91Å |
| 34 | Q | 80.6 | Confident | 85.1 | Confident | 88 Ų | 88 | 60 Ų | 60 | 41% | 0.411 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -86.3 | -32.8 | 172.7 | -71.6 | 171.5 | -15 | 0 | 0 | 112.3 | V30 S31 A36 | V30-Q34 HydrophobicContact CG1-CG 4.34Å; V30-Q34 WeakPolarHBondContact O-CB 3.41Å; V30-Q34 VanDerWaalsContact O-CG 3.31Å; V30-Q34 WeakPolarHBondContact O-CG 3.3Å; V30-Q34 PolarHBondContact O-N 2.59Å; S31-Q34 PolarHBondContact O-N 3.48Å; Q34-A36 VanDerWaalsContact C-N 3.34Å |
| 35 | E | 80.6 | Confident | 85.1 | Confident | 159 Ų | 159 | 62.2 Ų | 62.2 | 74% | 0.743 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -78.4 | -19.4 | 174 | -169.5 | 172.9 | -166.9 | 0 | 0 | 112.4 | S31 K37 | S31-E35 WeakPolarHBondContact O-CB 3.21Å; S31-E35 PolarHBondContact O-N 3.01Å; E35-K37 PolarHBondContact O-N 3.15Å |
| 36 | A | 80.9 | Confident | 85 | Confident | 15 Ų | 15 | 60.9 Ų | 60.9 | 12% | 0.124 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -64.6 | 125.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | L32 Q34 G39 L41 | L32-A36 VanDerWaalsContact O-CB 3.26Å; L32-A36 WeakPolarHBondContact O-CB 3.11Å; L32-A36 PolarHBondContact O-N 3.45Å; Q34-A36 VanDerWaalsContact C-N 3.34Å; A36-G39 PolarHBondContact O-N 3.37Å; A36-L41 HydrophobicContact CB-CB 4.42Å; A36-L41 HydrophobicContact CB-CD1 4.45Å |
| 37 | K | 71.9 | Confident | 84.8 | Confident | 175 Ų | 175 | 59 Ų | 59 | 76% | 0.761 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -58.9 | 145.1 | 173.9 | -63.3 | -174.6 | 179.3 | -175.9 | 0 | 110.8 | E35 G39 V40 | E35-K37 PolarHBondContact O-N 3.15Å; K37-G39 PolarHBondContact O-N 3.39Å; K37-V40 PolarHBondContact O-N 3.14Å |
| 38 | D | 72.2 | Confident | 84.7 | Confident | 98 Ų | 98 | 59.8 Ų | 59.8 | 52% | 0.524 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | 58.1 | 15.7 | 178.2 | -33.1 | -32.2 | 0 | 0 | 0 | 113.2 | V40 | D38-V40 HydrophobicContact CB-CG2 4.32Å; D38-V40 PolarHBondContact O-N 3.37Å |
| 39 | G | 78.3 | Confident | 84.6 | Confident | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | 66.6 | 13.5 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | A36 K37 Q80 W81 | A36-G39 PolarHBondContact O-N 3.37Å; K37-G39 PolarHBondContact O-N 3.39Å; G39-Q80 CarbonylContact O-C 3.55Å; G39-Q80 WeakPolarHBondContact O-CA 3.28Å; G39-W81 PolarHBondContact O-N 3.39Å |
| 40 | V | 86.2 | Confident | 84.2 | Confident | 43 Ų | 43 | 59.2 Ų | 59.2 | 26% | 0.261 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 116.3 | -171.6 | -176.1 | 0 | 0 | 0 | 0 | 112.3 | K37 D38 K74 S78 I79 Q80 | K37-V40 PolarHBondContact O-N 3.14Å; D38-V40 HydrophobicContact CB-CG2 4.32Å; D38-V40 PolarHBondContact O-N 3.37Å; V40-K74 HydrophobicContact CG1-CD 4.05Å; V40-K74 HydrophobicContact CG2-CD 3.89Å; V40-S78 VanDerWaalsContact CG1-OG 3.28Å; V40-S78 WeakPolarHBondContact CG1-OG 3.49Å; V40-I79 WeakPolarHBondContact CA-O 3.43Å; V40-Q80 HydrophobicContact CG2-CB 4.31Å; V40-Q80 HydrophobicContact CG2-CG 4.05Å |
| 41 | L | 89.1 | Confident | 83.7 | Confident | 11 Ų | 11 | 61.5 Ų | 61.5 | 6% | 0.058 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 129.8 | -179.7 | -175.3 | 64.5 | 0 | 0 | 0 | 112.3 | F29 L32 L33 A36 A46 I79 | F29-L41 HydrophobicContact CD2-CD2 4.47Å; F29-L41 HydrophobicContact CE1-CD2 4.45Å; F29-L41 HydrophobicContact CE2-CD2 4.08Å; F29-L41 HydrophobicContact CZ-CD2 4.07Å; L32-L41 HydrophobicContact CB-CD1 4.27Å; L32-L41 HydrophobicContact CB-CD2 4.41Å; L33-L41 HydrophobicContact CB-CD2 4Å; L33-L41 HydrophobicContact CD1-CB 3.58Å; L33-L41 HydrophobicContact CD1-CD2 4.13Å; A36-L41 HydrophobicContact CB-CB 4.42Å; A36-L41 HydrophobicContact CB-CD1 4.45Å; L41-A46 HydrophobicContact CD1-CB 4.23Å; L41-A46 HydrophobicContact CD2-CB 3.94Å; L41-A46 HydrophobicContact CG-CB 4.1Å; L41-I79 HydrophobicContact CB-CG1 4.11Å; L41-I79 PolarHBondContact N-O 2.76Å; L41-I79 PolarHBondContact O-N 3.35Å; L41-I79 VanDerWaalsContact O-N 3.09Å |
| 42 | D | 90.1 | Very high | 82.9 | Confident | 66 Ų | 66 | 59.7 Ų | 59.7 | 35% | 0.353 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 119.3 | 166.5 | -177.7 | -2.9 | 0 | 0 | 0 | 110 | K44 L45 A46 N77 | D42-K44 PolarHBondContact O-N 3.27Å; D42-K44 WeakPolarHBondContact OD1-CB 3.13Å; D42-K44 PolarHBondContact OD1-N 2.72Å; D42-L45 HydrophobicContact CB-CB 4.18Å; D42-L45 PolarHBondContact O-N 2.91Å; D42-A46 WeakPolarHBondContact O-CB 3.47Å; D42-A46 PolarHBondContact O-N 3.28Å; D42-N77 CarbonylContact C-O 2.93Å; D42-N77 WeakPolarHBondContact CA-O 3.37Å |
| 43 | L | 89.8 | Confident | 81.8 | Confident | 25 Ų | 25 | 69.9 Ų | 69.9 | 13% | 0.131 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.5 | -20.8 | 178.2 | -60.4 | -176.2 | 0 | 0 | 0 | 113.2 | F29 A47 I58 T62 N77 I79 | F29-L43 HydrophobicContact CE2-CD2 4.03Å; F29-L43 HydrophobicContact CZ-CD2 3.9Å; L43-A47 WeakPolarHBondContact O-CB 3.46Å; L43-A47 PolarHBondContact O-N 2.77Å; L43-I58 HydrophobicContact CD2-CG2 4Å; L43-T62 HydrophobicContact CD1-CG2 4.49Å; L43-T62 HydrophobicContact CD2-CG2 3.99Å; L43-N77 HydrophobicContact CB-CB 4.41Å; L43-N77 PolarHBondContact N-O 2.68Å; L43-I79 HydrophobicContact CD1-CG2 4.16Å; L43-I79 HydrophobicContact CD2-CD1 3.97Å; L43-I79 HydrophobicContact CD2-CG1 3.92Å; L43-I79 HydrophobicContact CD2-CG2 4.13Å; L43-I79 HydrophobicContact CG-CG2 4.32Å |
| 44 | K | 86.9 | Confident | 81.3 | Confident | 109 Ų | 109 | 75.2 Ų | 75.2 | 47% | 0.474 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -69.9 | -58.3 | 170.9 | -62.9 | 174.7 | -178.8 | 172.4 | 0 | 110.3 | D42 A46 A47 D48 N77 | D42-K44 PolarHBondContact O-N 3.27Å; D42-K44 WeakPolarHBondContact OD1-CB 3.13Å; D42-K44 PolarHBondContact OD1-N 2.72Å; K44-A46 PolarHBondContact O-N 3.24Å; K44-A47 PolarHBondContact O-N 2.87Å; K44-D48 PolarHBondContact O-N 2.89Å; K44-N77 HydrophobicContact CG-CB 4.26Å |
| 45 | L | 86.3 | Confident | 81.2 | Confident | 109 Ų | 109 | 76.8 Ų | 76.8 | 57% | 0.571 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -54.8 | -43.3 | 177.7 | -178.8 | 62.1 | 0 | 0 | 0 | 110.8 | D42 D48 T49 | D42-L45 HydrophobicContact CB-CB 4.18Å; D42-L45 PolarHBondContact O-N 2.91Å; L45-D48 PolarHBondContact O-N 3Å; L45-T49 VanDerWaalsContact O-CB 3.25Å; L45-T49 WeakPolarHBondContact O-CB 3.32Å; L45-T49 PolarHBondContact O-N 3.32Å; L45-T49 PolarHBondContact O-OG1 3.14Å |
| 46 | A | 88.1 | Confident | 81.5 | Confident | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.5 | -45.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | F29 L41 D42 K44 D48 L50 | F29-A46 HydrophobicContact CD2-CB 4.38Å; F29-A46 HydrophobicContact CE2-CB 4.2Å; L41-A46 HydrophobicContact CD1-CB 4.23Å; L41-A46 HydrophobicContact CD2-CB 3.94Å; L41-A46 HydrophobicContact CG-CB 4.1Å; D42-A46 WeakPolarHBondContact O-CB 3.47Å; D42-A46 PolarHBondContact O-N 3.28Å; K44-A46 PolarHBondContact O-N 3.24Å; A46-D48 VanDerWaalsContact C-N 3.31Å; A46-D48 PolarHBondContact O-N 3.34Å; A46-L50 WeakPolarHBondContact O-CB 3.44Å; A46-L50 WeakPolarHBondContact O-CD1 3.37Å; A46-L50 WeakPolarHBondContact O-CG 3.45Å; A46-L50 PolarHBondContact O-N 3.44Å |
| 47 | A | 86.9 | Confident | 81.8 | Confident | 5 Ų | 5 | 78.4 Ų | 78.4 | 4% | 0.041 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63 | -37.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113 | L43 K44 A51 V52 I58 | L43-A47 WeakPolarHBondContact O-CB 3.46Å; L43-A47 PolarHBondContact O-N 2.77Å; K44-A47 PolarHBondContact O-N 2.87Å; A47-A51 PolarHBondContact O-N 3.16Å; A47-V52 PolarHBondContact O-N 3.23Å; A47-V52 VanDerWaalsContact O-N 3.16Å; A47-I58 HydrophobicContact CB-CD1 4.47Å; A47-I58 HydrophobicContact CB-CG1 4.12Å |
| 48 | D | 85.8 | Confident | 82.7 | Confident | 106 Ų | 106 | 70.4 Ų | 70.4 | 57% | 0.567 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -76.4 | -45.8 | -179.4 | -59.9 | -25.6 | 0 | 0 | 0 | 110.6 | K44 L45 A46 L50 A51 K55 | K44-D48 PolarHBondContact O-N 2.89Å; L45-D48 PolarHBondContact O-N 3Å; A46-D48 VanDerWaalsContact C-N 3.31Å; A46-D48 PolarHBondContact O-N 3.34Å; D48-L50 VanDerWaalsContact C-N 3.34Å; D48-L50 PolarHBondContact O-N 3.38Å; D48-A51 PolarHBondContact O-N 3.05Å; D48-K55 IonicContact OD1-NZ 3.24Å |
| 49 | T | 84.4 | Confident | 83.6 | Confident | 84 Ų | 84 | 71.1 Ų | 71.1 | 52% | 0.515 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.2 | -35.4 | 175.4 | -61.1 | 0 | 0 | 0 | 0 | 113.1 | L32 L45 A51 | L32-T49 HydrophobicContact CD1-CG2 3.91Å; L32-T49 HydrophobicContact CD2-CG2 4.03Å; L45-T49 VanDerWaalsContact O-CB 3.25Å; L45-T49 WeakPolarHBondContact O-CB 3.32Å; L45-T49 PolarHBondContact O-N 3.32Å; L45-T49 PolarHBondContact O-OG1 3.14Å; T49-A51 PolarHBondContact O-N 3.29Å |
| 50 | L | 81.8 | Confident | 84.2 | Confident | 18 Ų | 18 | 72.7 Ų | 72.7 | 9% | 0.094 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 1.6 | 175.2 | -64.9 | 170.8 | 0 | 0 | 0 | 113.2 | K28 F29 L32 A46 D48 V52 I58 | K28-L50 HydrophobicContact CB-CD2 3.27Å; K28-L50 HydrophobicContact CD-CD2 4.19Å; K28-L50 HydrophobicContact CG-CD2 4.38Å; F29-L50 HydrophobicContact CB-CD1 3.91Å; F29-L50 HydrophobicContact CD2-CD1 3.74Å; F29-L50 HydrophobicContact CG-CD1 4.33Å; L32-L50 HydrophobicContact CD1-CD1 4.28Å; L32-L50 HydrophobicContact CD1-CD2 3.91Å; L32-L50 HydrophobicContact CD1-CG 3.82Å; A46-L50 WeakPolarHBondContact O-CB 3.44Å; A46-L50 WeakPolarHBondContact O-CD1 3.37Å; A46-L50 WeakPolarHBondContact O-CG 3.45Å; A46-L50 PolarHBondContact O-N 3.44Å; D48-L50 VanDerWaalsContact C-N 3.34Å; D48-L50 PolarHBondContact O-N 3.38Å; L50-V52 HydrophobicContact CB-CG2 3.39Å; L50-V52 PolarHBondContact O-N 3.5Å; L50-V52 VanDerWaalsContact O-N 3.16Å; L50-I58 HydrophobicContact CD1-CD1 4Å |
| 51 | A | 76.2 | Confident | 84.4 | Confident | 81 Ų | 81 | 70.8 Ų | 70.8 | 67% | 0.669 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 35.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114 | A47 D48 T49 R53 | A47-A51 PolarHBondContact O-N 3.16Å; D48-A51 PolarHBondContact O-N 3.05Å; T49-A51 PolarHBondContact O-N 3.29Å; A51-R53 PolarHBondContact O-N 3.1Å |
| 52 | V | 70.9 | Confident | 84.6 | Confident | 20 Ų | 20 | 70.6 Ų | 70.6 | 12% | 0.121 | 34% | 0.336 | C | S | . | . | trans | -78.8 | 97.8 | -165.6 | -164.2 | 0 | 0 | 0 | 0 | 111.1 | L25 A47 L50 Q54 R57 I58 | L25-V52 HydrophobicContact CD1-CG1 4.27Å; L25-V52 HydrophobicContact CD2-CG2 4.25Å; A47-V52 PolarHBondContact O-N 3.23Å; A47-V52 VanDerWaalsContact O-N 3.16Å; L50-V52 HydrophobicContact CB-CG2 3.39Å; L50-V52 PolarHBondContact O-N 3.5Å; L50-V52 VanDerWaalsContact O-N 3.16Å; V52-Q54 VanDerWaalsContact CG1-O 3.27Å; V52-Q54 WeakPolarHBondContact CG1-O 3.41Å; V52-Q54 PolarHBondContact O-N 3.12Å; V52-R57 HydrophobicContact CG1-CB 3.9Å; V52-R57 HydrophobicContact CG1-CG 4.2Å; V52-I58 HydrophobicContact CG2-CD1 4.08Å | ||
| 53 | R | 65.8 | Low | 84.7 | Confident | 253 Ų | 253 | 71.9 Ų | 71.9 | 96% | 0.955 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -54.4 | -11.4 | 175.4 | -65.1 | -170.9 | -178.7 | -167 | 0.4 | 115.2 | A51 | A51-R53 PolarHBondContact O-N 3.1Š|
| 54 | Q | 74.8 | Confident | 84.9 | Confident | 113 Ų | 113 | 75 Ų | 75 | 53% | 0.528 | 36% | 0.362 | S | S | . | . | trans | -135.2 | 97.1 | 176.4 | -68.6 | -179.2 | -10.6 | 0 | 0 | 110.4 | V52 R56 R57 | V52-Q54 VanDerWaalsContact CG1-O 3.27Å; V52-Q54 WeakPolarHBondContact CG1-O 3.41Å; V52-Q54 PolarHBondContact O-N 3.12Å; Q54-R56 PolarHBondContact O-N 3.12Å; Q54-R57 HydrophobicContact CB-CG 4.13Å; Q54-R57 WeakPolarHBondContact O-CG 3.38Å; Q54-R57 PolarHBondContact O-N 3.15Å | ||
| 55 | K | 78 | Confident | 85.1 | Confident | 121 Ų | 121 | 70.6 Ų | 70.6 | 53% | 0.526 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -23.5 | -179.3 | -65.6 | -163.2 | 172.4 | -162.2 | 0 | 113.9 | D48 R57 I58 | D48-K55 IonicContact OD1-NZ 3.24Å; K55-R57 PolarHBondContact O-N 3.5Å; K55-R57 VanDerWaalsContact O-N 3.16Å; K55-I58 PolarHBondContact O-N 3.04Å |
| 56 | R | 87 | Confident | 85.3 | Confident | 126 Ų | 126 | 69.6 Ų | 69.6 | 48% | 0.475 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -53.1 | -31 | 171.9 | -178.6 | 61 | -170.7 | 75.9 | 9.2 | 114.1 | Q54 I58 Y59 D60 | Q54-R56 PolarHBondContact O-N 3.12Å; R56-I58 VanDerWaalsContact C-N 3.32Å; R56-I58 PolarHBondContact O-N 2.83Å; R56-Y59 PolarHBondContact O-N 2.72Å; R56-D60 IonicContact CZ-OD1 2.65Å; R56-D60 IonicContact NH1-OD1 2.66Å; R56-D60 PolarHBondContact NH1-OD1 2.75Å; R56-D60 IonicContact NH1-OD2 3.63Å; R56-D60 PolarHBondContact NH1-OD2 3.17Å; R56-D60 IonicContact NH2-OD1 3.86Å; R56-D60 PolarHBondContact NH2-OD1 3.33Å; R56-D60 PolarHBondContact O-N 2.81Å |
| 57 | R | 88.3 | Confident | 85.4 | Confident | 83 Ų | 83 | 72.9 Ų | 72.9 | 31% | 0.313 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -68.2 | -27.5 | -179 | -57.4 | -75.2 | 77.1 | 111.1 | -12.7 | 113.3 | L22 L25 V52 Q54 K55 Y59 D60 I61 | L22-R57 HydrophobicContact CD1-CB 4.36Å; L25-R57 HydrophobicContact CD1-CB 4.08Å; L25-R57 HydrophobicContact CD1-CG 4.38Å; V52-R57 HydrophobicContact CG1-CB 3.9Å; V52-R57 HydrophobicContact CG1-CG 4.2Å; Q54-R57 HydrophobicContact CB-CG 4.13Å; Q54-R57 WeakPolarHBondContact O-CG 3.38Å; Q54-R57 PolarHBondContact O-N 3.15Å; K55-R57 PolarHBondContact O-N 3.5Å; K55-R57 VanDerWaalsContact O-N 3.16Å; R57-Y59 VanDerWaalsContact C-N 3.31Å; R57-D60 IonicContact CZ-OD2 3.75Å; R57-D60 IonicContact NE-OD2 3.85Å; R57-D60 PolarHBondContact NE-OD2 3.43Å; R57-D60 IonicContact NH2-OD2 2.69Å; R57-D60 PolarHBondContact NH2-OD2 3.15Å; R57-D60 PolarHBondContact O-N 2.89Å; R57-I61 PolarHBondContact O-N 3.32Å |
| 58 | I | 89.5 | Confident | 85.4 | Confident | 6 Ų | 6 | 78 Ų | 78 | 3% | 0.031 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -62.1 | -43.8 | 172.6 | -60.3 | -62 | 0 | 0 | 0 | 109.7 | F29 L43 A47 L50 V52 K55 R56 D60 I61 T62 | F29-I58 HydrophobicContact CD2-CD1 4.15Å; F29-I58 HydrophobicContact CE2-CD1 4.27Å; F29-I58 HydrophobicContact CE2-CG2 4.03Å; L43-I58 HydrophobicContact CD2-CG2 4Å; A47-I58 HydrophobicContact CB-CD1 4.47Å; A47-I58 HydrophobicContact CB-CG1 4.12Å; L50-I58 HydrophobicContact CD1-CD1 4Å; V52-I58 HydrophobicContact CG2-CD1 4.08Å; K55-I58 PolarHBondContact O-N 3.04Å; R56-I58 VanDerWaalsContact C-N 3.32Å; R56-I58 PolarHBondContact O-N 2.83Å; I58-D60 VanDerWaalsContact C-N 3.3Å; I58-D60 PolarHBondContact O-N 2.67Å; I58-I61 PolarHBondContact O-N 3.48Å; I58-T62 HydrophobicContact CG2-CG2 4.21Å; I58-T62 PolarHBondContact O-N 2.95Å; I58-T62 PolarHBondContact O-OG1 3.11Å |
| 59 | Y | 90.6 | Very high | 85.4 | Confident | 113 Ų | 113 | 75 Ų | 75 | 44% | 0.443 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -67.2 | -26.2 | 176.8 | -50.2 | -51.2 | 0 | 0 | 0 | 113.6 | R56 R57 I61 T62 N63 | R56-Y59 PolarHBondContact O-N 2.72Å; R57-Y59 VanDerWaalsContact C-N 3.31Å; Y59-I61 VanDerWaalsContact C-N 3.26Å; Y59-I61 PolarHBondContact O-N 3.35Å; Y59-T62 WeakPolarHBondContact CA-OG1 3.37Å; Y59-N63 WeakPolarHBondContact O-CB 3.41Å; Y59-N63 PolarHBondContact O-N 3.27Å; Y59-N63 VanDerWaalsContact O-N 3.08Å; Y59-N63 PolarHBondContact O-OD1 2.88Å |
| 60 | D | 91.4 | Very high | 85.5 | Confident | 34 Ų | 34 | 73.9 Ų | 73.9 | 18% | 0.182 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -67.6 | -30 | 170.9 | -65.5 | -49.4 | 0 | 0 | 0 | 112 | L22 R56 R57 I58 V64 | L22-D60 HydrophobicContact CD1-CB 4.05Å; L22-D60 HydrophobicContact CD2-CB 4.04Å; R56-D60 IonicContact CZ-OD1 2.65Å; R56-D60 IonicContact NH1-OD1 2.66Å; R56-D60 PolarHBondContact NH1-OD1 2.75Å; R56-D60 IonicContact NH1-OD2 3.63Å; R56-D60 PolarHBondContact NH1-OD2 3.17Å; R56-D60 IonicContact NH2-OD1 3.86Å; R56-D60 PolarHBondContact NH2-OD1 3.33Å; R56-D60 PolarHBondContact O-N 2.81Å; R57-D60 IonicContact CZ-OD2 3.75Å; R57-D60 IonicContact NE-OD2 3.85Å; R57-D60 PolarHBondContact NE-OD2 3.43Å; R57-D60 IonicContact NH2-OD2 2.69Å; R57-D60 PolarHBondContact NH2-OD2 3.15Å; R57-D60 PolarHBondContact O-N 2.89Å; I58-D60 VanDerWaalsContact C-N 3.3Å; I58-D60 PolarHBondContact O-N 2.67Å; D60-V64 VanDerWaalsContact O-CG2 3.32Å; D60-V64 WeakPolarHBondContact O-CG2 3.47Å |
| 61 | I | 91.8 | Very high | 85.9 | Confident | 4 Ų | 4 | 73.2 Ų | 73.2 | 2% | 0.021 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -82.3 | -48.7 | 178.1 | -61.3 | 165.2 | 0 | 0 | 0 | 110.1 | L22 L25 T26 F29 R57 I58 Y59 V64 L65 | L22-I61 HydrophobicContact CD1-CD1 4.23Å; L22-I61 HydrophobicContact CD1-CG1 3.91Å; L25-I61 HydrophobicContact CB-CD1 3.88Å; T26-I61 HydrophobicContact CG2-CG2 4.31Å; F29-I61 HydrophobicContact CB-CD1 4.27Å; F29-I61 HydrophobicContact CB-CG2 4.37Å; F29-I61 HydrophobicContact CD1-CG2 3.54Å; F29-I61 HydrophobicContact CE1-CG2 3.91Å; F29-I61 HydrophobicContact CG-CD1 4.48Å; F29-I61 HydrophobicContact CG-CG2 3.95Å; R57-I61 PolarHBondContact O-N 3.32Å; I58-I61 PolarHBondContact O-N 3.48Å; Y59-I61 VanDerWaalsContact C-N 3.26Å; Y59-I61 PolarHBondContact O-N 3.35Å; I61-V64 PolarHBondContact O-N 2.87Å; I61-L65 HydrophobicContact CG2-CD1 3.88Å; I61-L65 HydrophobicContact CG2-CG 4.48Å; I61-L65 WeakPolarHBondContact O-CG 3.37Å; I61-L65 PolarHBondContact O-N 3.1Å; I61-L65 VanDerWaalsContact O-N 3.08Å |
| 62 | T | 91.9 | Very high | 86.5 | Confident | 7 Ų | 7 | 73 Ų | 73 | 4% | 0.043 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.7 | -45.7 | -178.3 | 58.7 | 0 | 0 | 0 | 0 | 111.7 | F29 L43 I58 Y59 V64 L65 E66 I71 I79 | F29-T62 HydrophobicContact CE1-CG2 4.45Å; F29-T62 HydrophobicContact CZ-CG2 3.81Å; L43-T62 HydrophobicContact CD1-CG2 4.49Å; L43-T62 HydrophobicContact CD2-CG2 3.99Å; I58-T62 HydrophobicContact CG2-CG2 4.21Å; I58-T62 PolarHBondContact O-N 2.95Å; I58-T62 PolarHBondContact O-OG1 3.11Å; Y59-T62 WeakPolarHBondContact CA-OG1 3.37Å; T62-V64 PolarHBondContact O-N 2.67Å; T62-L65 PolarHBondContact O-N 3.03Å; T62-L65 VanDerWaalsContact O-N 3.15Å; T62-E66 WeakPolarHBondContact O-CB 3.36Å; T62-E66 PolarHBondContact O-N 3.26Å; T62-I71 HydrophobicContact CG2-CD1 4.16Å; T62-I79 HydrophobicContact CG2-CD1 4.33Å |
| 63 | N | 93.4 | Very high | 87.4 | Confident | 93 Ų | 93 | 79.1 Ų | 79.1 | 50% | 0.497 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.2 | -29 | -177.1 | -65.9 | 23.5 | 0 | 0 | 0 | 112.5 | Y59 G67 | Y59-N63 WeakPolarHBondContact O-CB 3.41Å; Y59-N63 PolarHBondContact O-N 3.27Å; Y59-N63 VanDerWaalsContact O-N 3.08Å; Y59-N63 PolarHBondContact O-OD1 2.88Å; N63-G67 PolarHBondContact O-N 3.05Å |
| 64 | V | 93.4 | Very high | 88.4 | Confident | 89 Ų | 89 | 72.5 Ų | 72.5 | 54% | 0.539 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -76.5 | -45.3 | 174.8 | 173.1 | 0 | 0 | 0 | 0 | 111 | D60 I61 T62 E66 G67 I68 | D60-V64 VanDerWaalsContact O-CG2 3.32Å; D60-V64 WeakPolarHBondContact O-CG2 3.47Å; I61-V64 PolarHBondContact O-N 2.87Å; T62-V64 PolarHBondContact O-N 2.67Å; V64-E66 VanDerWaalsContact C-N 3.34Å; V64-E66 PolarHBondContact O-N 2.93Å; V64-G67 PolarHBondContact O-N 2.86Å; V64-I68 HydrophobicContact CG1-CD1 3.85Å; V64-I68 WeakPolarHBondContact O-CD1 3.4Å; V64-I68 VanDerWaalsContact O-CG1 3.22Å; V64-I68 WeakPolarHBondContact O-CG1 3.48Å; V64-I68 PolarHBondContact O-N 2.91Å |
| 65 | L | 90.1 | Very high | 89.1 | Confident | 17 Ų | 17 | 70.2 Ų | 70.2 | 9% | 0.089 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -66.6 | -35.7 | 177.7 | -67.3 | 174.7 | 0 | 0 | 0 | 112.5 | F29 I61 T62 I68 G69 L70 I71 | F29-L65 HydrophobicContact CD1-CD1 4.25Å; F29-L65 HydrophobicContact CE1-CD1 4.07Å; I61-L65 HydrophobicContact CG2-CD1 3.88Å; I61-L65 HydrophobicContact CG2-CG 4.48Å; I61-L65 WeakPolarHBondContact O-CG 3.37Å; I61-L65 PolarHBondContact O-N 3.1Å; I61-L65 VanDerWaalsContact O-N 3.08Å; T62-L65 PolarHBondContact O-N 3.03Å; T62-L65 VanDerWaalsContact O-N 3.15Å; L65-I68 PolarHBondContact O-N 2.83Å; L65-G69 PolarHBondContact O-N 2.9Å; L65-G69 VanDerWaalsContact O-N 3.13Å; L65-L70 HydrophobicContact CD2-CD1 4.13Å; L65-L70 PolarHBondContact O-N 3.38Å; L65-I71 HydrophobicContact CB-CD1 3.82Å; L65-I71 HydrophobicContact CB-CG1 3.77Å; L65-I71 HydrophobicContact CB-CG2 4.13Å; L65-I71 HydrophobicContact CD1-CG2 4.4Å |
| 66 | E | 91.4 | Very high | 89.6 | Confident | 89 Ų | 89 | 73 Ų | 73 | 42% | 0.416 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -70.3 | -41.9 | 175.3 | -173 | 170.2 | -156.2 | 0 | 0 | 110.4 | T62 V64 I68 G69 I71 | T62-E66 WeakPolarHBondContact O-CB 3.36Å; T62-E66 PolarHBondContact O-N 3.26Å; V64-E66 VanDerWaalsContact C-N 3.34Å; V64-E66 PolarHBondContact O-N 2.93Å; E66-I68 VanDerWaalsContact C-N 3.25Å; E66-I68 PolarHBondContact O-N 3.24Å; E66-G69 WeakPolarHBondContact O-CA 3.38Å; E66-G69 PolarHBondContact O-N 3.08Å; E66-I71 HydrophobicContact CB-CD1 4.35Å; E66-I71 HydrophobicContact CB-CG1 3.99Å |
| 67 | G | 89.2 | Confident | 89.6 | Confident | 68 Ų | 68 | 69.7 Ų | 69.7 | 70% | 0.701 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -67 | -18.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | N63 V64 | N63-G67 PolarHBondContact O-N 3.05Å; V64-G67 PolarHBondContact O-N 2.86Å |
| 68 | I | 88.6 | Confident | 89.7 | Confident | 114 Ų | 114 | 66.7 Ų | 66.7 | 59% | 0.585 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -9.8 | 170 | -58.6 | 161.4 | 0 | 0 | 0 | 110.9 | V64 L65 E66 L70 | V64-I68 HydrophobicContact CG1-CD1 3.85Å; V64-I68 WeakPolarHBondContact O-CD1 3.4Å; V64-I68 VanDerWaalsContact O-CG1 3.22Å; V64-I68 WeakPolarHBondContact O-CG1 3.48Å; V64-I68 PolarHBondContact O-N 2.91Å; L65-I68 PolarHBondContact O-N 2.83Å; E66-I68 VanDerWaalsContact C-N 3.25Å; E66-I68 PolarHBondContact O-N 3.24Å; I68-L70 VanDerWaalsContact C-N 3.33Å; I68-L70 HydrophobicContact CB-CG 4.39Å; I68-L70 HydrophobicContact CG2-CD1 4Å; I68-L70 HydrophobicContact CG2-CG 3.92Å |
| 69 | G | 85.6 | Confident | 89.7 | Confident | 41 Ų | 41 | 66.7 Ų | 66.7 | 42% | 0.423 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | 9.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | L65 E66 I71 | L65-G69 PolarHBondContact O-N 2.9Å; L65-G69 VanDerWaalsContact O-N 3.13Å; E66-G69 WeakPolarHBondContact O-CA 3.38Å; E66-G69 PolarHBondContact O-N 3.08Å; G69-I71 VanDerWaalsContact C-N 3.3Å; G69-I71 PolarHBondContact O-N 2.73Å |
| 70 | L | 86.8 | Confident | 89.6 | Confident | 62 Ų | 62 | 62.7 Ų | 62.7 | 33% | 0.325 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -76.3 | -16.2 | 179.6 | -67 | 175.7 | 0 | 0 | 0 | 113.5 | L65 I68 W81 K82 G83 | L65-L70 HydrophobicContact CD2-CD1 4.13Å; L65-L70 PolarHBondContact O-N 3.38Å; I68-L70 VanDerWaalsContact C-N 3.33Å; I68-L70 HydrophobicContact CB-CG 4.39Å; I68-L70 HydrophobicContact CG2-CD1 4Å; I68-L70 HydrophobicContact CG2-CG 3.92Å; L70-W81 HydrophobicContact CB-CH2 4.37Å; L70-W81 HydrophobicContact CB-CZ3 4.16Å; L70-W81 HydrophobicContact CD1-CH2 4.45Å; L70-K82 PolarHBondContact O-N 3.24Å; L70-G83 PolarHBondContact O-N 2.82Å |
| 71 | I | 88.4 | Confident | 89.4 | Confident | 4 Ų | 4 | 62.4 Ų | 62.4 | 2% | 0.021 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 161.7 | 172.2 | 66.8 | 171.7 | 0 | 0 | 0 | 110.7 | L33 T62 L65 E66 G69 I79 Q80 W81 | L33-I71 HydrophobicContact CD2-CG2 3.75Å; T62-I71 HydrophobicContact CG2-CD1 4.16Å; L65-I71 HydrophobicContact CB-CD1 3.82Å; L65-I71 HydrophobicContact CB-CG1 3.77Å; L65-I71 HydrophobicContact CB-CG2 4.13Å; L65-I71 HydrophobicContact CD1-CG2 4.4Å; E66-I71 HydrophobicContact CB-CD1 4.35Å; E66-I71 HydrophobicContact CB-CG1 3.99Å; G69-I71 VanDerWaalsContact C-N 3.3Å; G69-I71 PolarHBondContact O-N 2.73Å; I71-I79 HydrophobicContact CD1-CB 4.42Å; I71-I79 HydrophobicContact CD1-CD1 3.82Å; I71-I79 HydrophobicContact CD1-CG2 4.31Å; I71-I79 HydrophobicContact CG2-CD1 4.41Å; I71-Q80 CarbonylContact C-O 3.5Å; I71-Q80 WeakPolarHBondContact CA-O 3.35Å; I71-Q80 WeakPolarHBondContact CB-O 3.46Å; I71-W81 HydrophobicContact CG2-CE3 3.77Å; I71-W81 HydrophobicContact CG2-CZ3 4.35Å |
| 72 | E | 89.4 | Confident | 88.7 | Confident | 75 Ų | 75 | 67.7 Ų | 67.7 | 35% | 0.35 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 163.4 | 162.3 | 76.7 | -171.2 | 140.4 | 0 | 0 | 112.1 | K74 I79 Q80 K82 | E72-K74 PolarHBondContact O-N 3.41Å; E72-I79 CarbonylContact O-C 3.18Å; E72-I79 VanDerWaalsContact O-CA 3.22Å; E72-I79 WeakPolarHBondContact O-CA 3.47Å; E72-I79 WeakPolarHBondContact O-CB 3.39Å; E72-Q80 HydrophobicContact CG-CB 4.36Å; E72-Q80 PolarHBondContact N-O 3.5Å; E72-Q80 PolarHBondContact O-N 2.9Å; E72-K82 HydrophobicContact CB-CD 4.21Å; E72-K82 VanDerWaalsContact CD-NZ 3.27Å; E72-K82 VanDerWaalsContact OE1-CE 3.27Å; E72-K82 WeakPolarHBondContact OE1-CE 3.25Å; E72-K82 IonicContact OE1-NZ 2.71Å; E72-K82 WeakPolarHBondContact OE2-CE 3.33Å; E72-K82 IonicContact OE2-NZ 2.73Å; E72-K82 PolarHBondContact OE2-NZ 3.03Å |
| 73 | K | 90.9 | Very high | 87.5 | Confident | 150 Ų | 150 | 68 Ų | 68 | 65% | 0.652 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 93.4 | 177.7 | 179.2 | -175 | 165.1 | -165.4 | 0 | 110.8 | ||
| 74 | K | 86.3 | Confident | 86 | Confident | 114 Ų | 114 | 70.2 Ų | 70.2 | 50% | 0.496 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | -40.6 | 178.6 | -167.6 | 172.3 | -164.2 | 152.4 | 0 | 113 | V40 E72 S78 Q80 | V40-K74 HydrophobicContact CG1-CD 4.05Å; V40-K74 HydrophobicContact CG2-CD 3.89Å; E72-K74 PolarHBondContact O-N 3.41Å; K74-S78 PolarHBondContact N-O 3.48Å; K74-Q80 HydrophobicContact CB-CB 4.29Å; K74-Q80 HydrophobicContact CD-CB 4.34Å |
| 75 | S | 90.1 | Very high | 84.2 | Confident | 65 Ų | 65 | 66.8 Ų | 66.8 | 46% | 0.455 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.1 | -172.7 | 174.8 | 83.4 | 0 | 0 | 0 | 0 | 112.7 | N77 S78 | S75-N77 PolarHBondContact O-N 3.15Å; S75-N77 VanDerWaalsContact O-N 3.14Å; S75-S78 PolarHBondContact N-O 2.88Å; S75-S78 PolarHBondContact O-N 3.49Å; S75-S78 VanDerWaalsContact O-O 3.07Å; S75-S78 VanDerWaalsContact OG-CB 3.26Å; S75-S78 WeakPolarHBondContact OG-CB 3.46Å |
| 76 | K | 87.4 | Confident | 82.4 | Confident | 180 Ų | 180 | 72 Ų | 72 | 78% | 0.783 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | 113.7 | 176.1 | -171.1 | 179 | 179.6 | 176.4 | 0 | 110.1 | S78 | K76-S78 VanDerWaalsContact C-N 3.33Š|
| 77 | N | 87.9 | Confident | 80.7 | Confident | 56 Ų | 56 | 70.1 Ų | 70.1 | 30% | 0.299 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.8 | 9 | -170.6 | -32.6 | -78 | 0 | 0 | 0 | 115.4 | D42 L43 K44 S75 | D42-N77 CarbonylContact C-O 2.93Å; D42-N77 WeakPolarHBondContact CA-O 3.37Å; L43-N77 HydrophobicContact CB-CB 4.41Å; L43-N77 PolarHBondContact N-O 2.68Å; K44-N77 HydrophobicContact CG-CB 4.26Å; S75-N77 PolarHBondContact O-N 3.15Å; S75-N77 VanDerWaalsContact O-N 3.14Å |
| 78 | S | 89 | Confident | 79 | Confident | 19 Ų | 19 | 67.7 Ų | 67.7 | 13% | 0.133 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 128.5 | 175.7 | -178.3 | 0 | 0 | 0 | 0 | 110.5 | V40 K74 S75 K76 | V40-S78 VanDerWaalsContact CG1-OG 3.28Å; V40-S78 WeakPolarHBondContact CG1-OG 3.49Å; K74-S78 PolarHBondContact N-O 3.48Å; S75-S78 PolarHBondContact N-O 2.88Å; S75-S78 PolarHBondContact O-N 3.49Å; S75-S78 VanDerWaalsContact O-O 3.07Å; S75-S78 VanDerWaalsContact OG-CB 3.26Å; S75-S78 WeakPolarHBondContact OG-CB 3.46Å; K76-S78 VanDerWaalsContact C-N 3.33Å |
| 79 | I | 89.7 | Confident | 77.7 | Confident | 7 Ų | 7 | 64.8 Ų | 64.8 | 4% | 0.036 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 154.3 | 169.7 | 61.1 | 164.4 | 0 | 0 | 0 | 109.9 | F29 L33 V40 L41 L43 T62 I71 E72 | F29-I79 HydrophobicContact CE1-CD1 3.87Å; F29-I79 HydrophobicContact CZ-CD1 3.6Å; L33-I79 HydrophobicContact CD1-CD1 4.14Å; L33-I79 HydrophobicContact CD1-CG1 4.39Å; L33-I79 HydrophobicContact CD2-CD1 4.02Å; V40-I79 WeakPolarHBondContact CA-O 3.43Å; L41-I79 HydrophobicContact CB-CG1 4.11Å; L41-I79 PolarHBondContact N-O 2.76Å; L41-I79 PolarHBondContact O-N 3.35Å; L41-I79 VanDerWaalsContact O-N 3.09Å; L43-I79 HydrophobicContact CD1-CG2 4.16Å; L43-I79 HydrophobicContact CD2-CD1 3.97Å; L43-I79 HydrophobicContact CD2-CG1 3.92Å; L43-I79 HydrophobicContact CD2-CG2 4.13Å; L43-I79 HydrophobicContact CG-CG2 4.32Å; T62-I79 HydrophobicContact CG2-CD1 4.33Å; I71-I79 HydrophobicContact CD1-CB 4.42Å; I71-I79 HydrophobicContact CD1-CD1 3.82Å; I71-I79 HydrophobicContact CD1-CG2 4.31Å; I71-I79 HydrophobicContact CG2-CD1 4.41Å; E72-I79 CarbonylContact O-C 3.18Å; E72-I79 VanDerWaalsContact O-CA 3.22Å; E72-I79 WeakPolarHBondContact O-CA 3.47Å; E72-I79 WeakPolarHBondContact O-CB 3.39Å |
| 80 | Q | 88.2 | Confident | 76.7 | Confident | 29 Ų | 29 | 66.1 Ų | 66.1 | 14% | 0.136 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 138.1 | 171.6 | -174.7 | 166.9 | -17.8 | 0 | 0 | 110.4 | G39 V40 I71 E72 K74 | G39-Q80 CarbonylContact O-C 3.55Å; G39-Q80 WeakPolarHBondContact O-CA 3.28Å; V40-Q80 HydrophobicContact CG2-CB 4.31Å; V40-Q80 HydrophobicContact CG2-CG 4.05Å; I71-Q80 CarbonylContact C-O 3.5Å; I71-Q80 WeakPolarHBondContact CA-O 3.35Å; I71-Q80 WeakPolarHBondContact CB-O 3.46Å; E72-Q80 HydrophobicContact CG-CB 4.36Å; E72-Q80 PolarHBondContact N-O 3.5Å; E72-Q80 PolarHBondContact O-N 2.9Å; K74-Q80 HydrophobicContact CB-CB 4.29Å; K74-Q80 HydrophobicContact CD-CB 4.34Å |
| 81 | W | 87.1 | Confident | 75.9 | Confident | 27 Ų | 27 | 72.6 Ų | 72.6 | 10% | 0.102 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 126.5 | 175.7 | -179.2 | -99.4 | 0 | 0 | 0 | 111 | L33 G39 L70 I71 G83 C88 | L33-W81 HydrophobicContact CD1-CB 4.07Å; L33-W81 HydrophobicContact CD2-CD2 4.42Å; L33-W81 HydrophobicContact CD2-CE3 3.51Å; L33-W81 HydrophobicContact CD2-CZ3 4.13Å; L33-W81 HydrophobicContact CG-CB 4.1Å; L33-W81 HydrophobicContact CG-CD2 4.38Å; L33-W81 HydrophobicContact CG-CE3 3.91Å; G39-W81 PolarHBondContact O-N 3.39Å; L70-W81 HydrophobicContact CB-CH2 4.37Å; L70-W81 HydrophobicContact CB-CZ3 4.16Å; L70-W81 HydrophobicContact CD1-CH2 4.45Å; I71-W81 HydrophobicContact CG2-CE3 3.77Å; I71-W81 HydrophobicContact CG2-CZ3 4.35Å; W81-G83 PolarHBondContact NE1-O 2.85Å; W81-C88 PolarHBondContact O-SG 3.19Å |
| 82 | K | 77.3 | Confident | 75.2 | Confident | 116 Ų | 116 | 77.7 Ų | 77.7 | 50% | 0.504 | 41% | 0.405 | S | S | . | . | trans | -98.8 | -16 | 176.7 | -83.5 | -175.3 | 162 | 160.1 | 0 | 113.6 | L70 E72 | L70-K82 PolarHBondContact O-N 3.24Å; E72-K82 HydrophobicContact CB-CD 4.21Å; E72-K82 VanDerWaalsContact CD-NZ 3.27Å; E72-K82 VanDerWaalsContact OE1-CE 3.27Å; E72-K82 WeakPolarHBondContact OE1-CE 3.25Å; E72-K82 IonicContact OE1-NZ 2.71Å; E72-K82 WeakPolarHBondContact OE2-CE 3.33Å; E72-K82 IonicContact OE2-NZ 2.73Å; E72-K82 PolarHBondContact OE2-NZ 3.03Å | ||
| 83 | G | 67.1 | Low | 74.8 | Confident | 12 Ų | 12 | 79.3 Ų | 79.3 | 12% | 0.124 | 42% | 0.415 | C | S | . | . | S | Bend | trans | -67.9 | 145.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L70 W81 G85 | L70-G83 PolarHBondContact O-N 2.82Å; W81-G83 PolarHBondContact NE1-O 2.85Å; G83-G85 PolarHBondContact O-N 3.12Å |
| 84 | V | 61.3 | Low | 74.3 | Confident | 141 Ų | 141 | 74.2 Ų | 74.2 | 86% | 0.855 | 40% | 0.401 | S | S | * | . | trans | -67 | 121.2 | 169 | -175.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 85 | G | 57.2 | Low | 74.4 | Confident | 16 Ų | 16 | 72.5 Ų | 72.5 | 17% | 0.165 | 40% | 0.398 | C | S | . | . | trans | -171.4 | 156.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | G83 G87 C88 | G83-G85 PolarHBondContact O-N 3.12Å; G85-G87 PolarHBondContact O-N 3.31Å; G85-C88 PolarHBondContact O-N 3.21Å | ||
| 86 | P | 52.2 | Low | 74.3 | Confident | 128 Ų | 128 | 75.2 Ų | 75.2 | 83% | 0.831 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | 94.2 | -176.9 | 29.7 | -35 | 0 | 0 | 0 | 110.8 | ||
| 87 | G | 54.4 | Low | 74.5 | Confident | 49 Ų | 49 | 71 Ų | 71 | 51% | 0.505 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 150.6 | -27.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | G85 | G85-G87 PolarHBondContact O-N 3.31Š|
| 88 | C | 54.8 | Low | 74.8 | Confident | 17 Ų | 17 | 73.6 Ų | 73.6 | 12% | 0.115 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -109.3 | 114 | -179.1 | -177.5 | 0 | 0 | 0 | 0 | 111.6 | W81 G85 T90 | W81-C88 PolarHBondContact O-SG 3.19Å; G85-C88 PolarHBondContact O-N 3.21Å; C88-T90 PolarHBondContact O-N 3.44Å; C88-T90 PolarHBondContact O-OG1 2.83Å |
| 89 | N | 60.1 | Low | 75.1 | Confident | 52 Ų | 52 | 78.8 Ų | 78.8 | 28% | 0.278 | 42% | 0.421 | S | S | . | . | S | Bend | trans | 47 | -5.7 | 160.2 | -56.2 | 11.3 | 0 | 0 | 0 | 119.8 | R91 E92 I93 | N89-R91 PolarHBondContact O-N 3.43Å; N89-E92 PolarHBondContact O-N 2.87Å; N89-I93 HydrophobicContact CB-CD1 4.1Å; N89-I93 VanDerWaalsContact O-CG1 3.32Å; N89-I93 WeakPolarHBondContact O-CG1 3.28Å; N89-I93 PolarHBondContact O-N 3.3Å |
| 90 | T | 64.8 | Low | 75.4 | Confident | 70 Ų | 70 | 83 Ų | 83 | 43% | 0.429 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.4 | -30.1 | -170.8 | -57.1 | 0 | 0 | 0 | 0 | 111.6 | C88 A94 | C88-T90 PolarHBondContact O-N 3.44Å; C88-T90 PolarHBondContact O-OG1 2.83Å; T90-A94 VanDerWaalsContact O-CB 3.25Å; T90-A94 WeakPolarHBondContact O-CB 3.36Å; T90-A94 PolarHBondContact O-N 2.88Å |
| 91 | R | 69.6 | Low | 75.9 | Confident | 197 Ų | 197 | 87.9 Ų | 87.9 | 74% | 0.743 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -69.7 | -52.7 | 174.4 | -178 | 168 | -175 | 159.3 | 5 | 111.8 | N89 I93 A94 D95 | N89-R91 PolarHBondContact O-N 3.43Å; R91-I93 PolarHBondContact O-N 3.14Å; R91-A94 PolarHBondContact O-N 3Å; R91-A94 VanDerWaalsContact O-N 3.07Å; R91-D95 VanDerWaalsContact CG-OD2 3.28Å; R91-D95 WeakPolarHBondContact CG-OD2 3.35Å; R91-D95 IonicContact NE-OD2 2.76Å; R91-D95 WeakPolarHBondContact O-CB 3.32Å; R91-D95 PolarHBondContact O-N 3.43Å |
| 92 | E | 75.4 | Confident | 76.4 | Confident | 111 Ų | 111 | 89.2 Ų | 89.2 | 52% | 0.519 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.6 | -35.6 | 178.2 | -61.5 | 179 | -176.6 | 0 | 0 | 112.4 | N89 K96 | N89-E92 PolarHBondContact O-N 2.87Å; E92-K96 WeakPolarHBondContact O-CB 3.25Å; E92-K96 VanDerWaalsContact O-CG 3.27Å; E92-K96 WeakPolarHBondContact O-CG 3.38Å; E92-K96 PolarHBondContact O-N 3.46Å |
| 93 | I | 79.1 | Confident | 77.3 | Confident | 109 Ų | 109 | 88.5 Ų | 88.5 | 56% | 0.559 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -69.3 | -40.1 | 175 | -65.9 | 165.4 | 0 | 0 | 0 | 111.1 | N89 R91 L97 | N89-I93 HydrophobicContact CB-CD1 4.1Å; N89-I93 VanDerWaalsContact O-CG1 3.32Å; N89-I93 WeakPolarHBondContact O-CG1 3.28Å; N89-I93 PolarHBondContact O-N 3.3Å; R91-I93 PolarHBondContact O-N 3.14Å; I93-L97 WeakPolarHBondContact O-CB 3.45Å; I93-L97 PolarHBondContact O-N 3.35Å |
| 94 | A | 82.1 | Confident | 78.8 | Confident | 44 Ų | 44 | 93.1 Ų | 93.1 | 36% | 0.364 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69 | -42.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | T90 R91 L97 I98 | T90-A94 VanDerWaalsContact O-CB 3.25Å; T90-A94 WeakPolarHBondContact O-CB 3.36Å; T90-A94 PolarHBondContact O-N 2.88Å; R91-A94 PolarHBondContact O-N 3Å; R91-A94 VanDerWaalsContact O-N 3.07Å; A94-L97 PolarHBondContact O-N 2.97Å; A94-I98 WeakPolarHBondContact O-CG1 3.23Å; A94-I98 PolarHBondContact O-N 2.87Å |
| 95 | D | 87.1 | Confident | 80.6 | Confident | 78 Ų | 78 | 93.2 Ų | 93.2 | 42% | 0.417 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63 | -45.3 | 178.5 | -65.2 | -20.1 | 0 | 0 | 0 | 109.8 | R91 L97 I98 E99 | R91-D95 VanDerWaalsContact CG-OD2 3.28Å; R91-D95 WeakPolarHBondContact CG-OD2 3.35Å; R91-D95 IonicContact NE-OD2 2.76Å; R91-D95 WeakPolarHBondContact O-CB 3.32Å; R91-D95 PolarHBondContact O-N 3.43Å; D95-L97 VanDerWaalsContact C-N 3.34Å; D95-L97 PolarHBondContact O-N 2.81Å; D95-I98 WeakPolarHBondContact O-CB 3.39Å; D95-I98 PolarHBondContact O-N 3.39Å; D95-I98 VanDerWaalsContact O-N 3.16Å; D95-E99 PolarHBondContact O-N 2.89Å |
| 96 | K | 89.1 | Confident | 82.6 | Confident | 122 Ų | 122 | 98.8 Ų | 98.8 | 53% | 0.53 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.9 | -33.1 | 171.7 | -75 | 177 | 179 | -177.9 | 0 | 114.1 | E92 I98 E99 L100 | E92-K96 WeakPolarHBondContact O-CB 3.25Å; E92-K96 VanDerWaalsContact O-CG 3.27Å; E92-K96 WeakPolarHBondContact O-CG 3.38Å; E92-K96 PolarHBondContact O-N 3.46Å; K96-I98 VanDerWaalsContact C-N 3.28Å; K96-E99 PolarHBondContact O-N 3.42Å; K96-L100 WeakPolarHBondContact O-CB 3.33Å; K96-L100 WeakPolarHBondContact O-CG 3.29Å; K96-L100 PolarHBondContact O-N 2.89Å |
| 97 | L | 90.9 | Very high | 84.8 | Confident | 91 Ų | 91 | 97.5 Ų | 97.5 | 48% | 0.476 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -72.3 | -23.3 | 175.8 | -179.5 | 148.4 | 0 | 0 | 0 | 112.1 | I93 A94 D95 K101 | I93-L97 WeakPolarHBondContact O-CB 3.45Å; I93-L97 PolarHBondContact O-N 3.35Å; A94-L97 PolarHBondContact O-N 2.97Å; D95-L97 VanDerWaalsContact C-N 3.34Å; D95-L97 PolarHBondContact O-N 2.81Å; L97-K101 HydrophobicContact CD2-CD 4.14Å; L97-K101 WeakPolarHBondContact O-CB 3.31Å; L97-K101 WeakPolarHBondContact O-CD 3.34Å; L97-K101 WeakPolarHBondContact O-CG 3.39Å |
| 98 | I | 94.3 | Very high | 86.9 | Confident | 111 Ų | 111 | 100.4 Ų | 100.4 | 57% | 0.569 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -78.2 | -46.2 | 169.9 | -66.5 | 160.9 | 0 | 0 | 0 | 109.8 | A94 D95 K96 K101 A102 | A94-I98 WeakPolarHBondContact O-CG1 3.23Å; A94-I98 PolarHBondContact O-N 2.87Å; D95-I98 WeakPolarHBondContact O-CB 3.39Å; D95-I98 PolarHBondContact O-N 3.39Å; D95-I98 VanDerWaalsContact O-N 3.16Å; K96-I98 VanDerWaalsContact C-N 3.28Å; I98-K101 PolarHBondContact O-N 3.24Å; I98-A102 PolarHBondContact O-N 3.36Å |
| 99 | E | 95.6 | Very high | 89 | Confident | 127 Ų | 127 | 106 Ų | 106 | 59% | 0.593 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -55.1 | -56.8 | 176.4 | -175.5 | 174 | -143 | 0 | 0 | 112 | D95 K96 K101 A102 E103 | D95-E99 PolarHBondContact O-N 2.89Å; K96-E99 PolarHBondContact O-N 3.42Å; E99-K101 PolarHBondContact O-N 2.73Å; E99-A102 PolarHBondContact O-N 2.71Å; E99-A102 VanDerWaalsContact O-N 3.09Å; E99-E103 PolarHBondContact O-N 3.47Å |
| 100 | L | 96.5 | Very high | 90.8 | Very high | 96 Ų | 96 | 109.1 Ų | 109.1 | 50% | 0.503 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.4 | -26 | 178 | -71.6 | 167.3 | 0 | 0 | 0 | 113.4 | K96 I104 | K96-L100 WeakPolarHBondContact O-CB 3.33Å; K96-L100 WeakPolarHBondContact O-CG 3.29Å; K96-L100 PolarHBondContact O-N 2.89Å; L100-I104 WeakPolarHBondContact O-CB 3.29Å; L100-I104 WeakPolarHBondContact O-CD1 3.35Å; L100-I104 WeakPolarHBondContact O-CG1 3.46Å; L100-I104 PolarHBondContact O-N 2.87Å |
| 101 | K | 97.1 | Very high | 92.4 | Very high | 131 Ų | 131 | 111.9 Ų | 111.9 | 57% | 0.57 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -76 | -39.7 | 174.9 | -82.4 | 179.7 | 177.7 | -170.8 | 0 | 112.3 | L97 I98 E99 E103 I104 E105 | L97-K101 HydrophobicContact CD2-CD 4.14Å; L97-K101 WeakPolarHBondContact O-CB 3.31Å; L97-K101 WeakPolarHBondContact O-CD 3.34Å; L97-K101 WeakPolarHBondContact O-CG 3.39Å; I98-K101 PolarHBondContact O-N 3.24Å; E99-K101 PolarHBondContact O-N 2.73Å; K101-E103 VanDerWaalsContact C-N 3.34Å; K101-I104 PolarHBondContact O-N 3.43Å; K101-E105 WeakPolarHBondContact O-CB 3.28Å; K101-E105 PolarHBondContact O-N 3.21Å |
| 102 | A | 97.6 | Very high | 93.8 | Very high | 55 Ų | 55 | 108.1 Ų | 108.1 | 46% | 0.455 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.2 | -40.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111 | I98 E99 E105 E106 | I98-A102 PolarHBondContact O-N 3.36Å; E99-A102 PolarHBondContact O-N 2.71Å; E99-A102 VanDerWaalsContact O-N 3.09Å; A102-E105 PolarHBondContact O-N 3.01Å; A102-E106 WeakPolarHBondContact O-CB 3.5Å; A102-E106 PolarHBondContact O-N 3.4Å |
| 103 | E | 98 | Very high | 94.9 | Very high | 102 Ų | 102 | 106.5 Ų | 106.5 | 48% | 0.477 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.9 | -43.8 | 174.3 | -173.2 | 179.5 | -171.7 | 0 | 0 | 111.9 | E99 K101 E105 E106 L107 | E99-E103 PolarHBondContact O-N 3.47Å; K101-E103 VanDerWaalsContact C-N 3.34Å; E103-E105 VanDerWaalsContact C-N 3.35Å; E103-E105 PolarHBondContact O-N 3.47Å; E103-E106 PolarHBondContact O-N 2.87Å; E103-L107 HydrophobicContact CG-CD1 4.04Å; E103-L107 HydrophobicContact CG-CG 4.47Å; E103-L107 WeakPolarHBondContact O-CB 3.26Å; E103-L107 VanDerWaalsContact O-CG 3.24Å; E103-L107 WeakPolarHBondContact O-CG 3.47Å; E103-L107 PolarHBondContact O-N 3.49Å |
| 104 | I | 98.3 | Very high | 95.8 | Very high | 109 Ų | 109 | 106 Ų | 106 | 56% | 0.559 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.7 | -40.2 | 174.4 | -72.8 | 165.5 | 0 | 0 | 0 | 111.6 | L100 K101 Q108 | L100-I104 WeakPolarHBondContact O-CB 3.29Å; L100-I104 WeakPolarHBondContact O-CD1 3.35Å; L100-I104 WeakPolarHBondContact O-CG1 3.46Å; L100-I104 PolarHBondContact O-N 2.87Å; K101-I104 PolarHBondContact O-N 3.43Å; I104-Q108 VanDerWaalsContact O-CB 3.27Å; I104-Q108 WeakPolarHBondContact O-CB 3.46Å; I104-Q108 PolarHBondContact O-N 3.23Å |
| 105 | E | 98.3 | Very high | 96.6 | Very high | 143 Ų | 143 | 107.4 Ų | 107.4 | 67% | 0.668 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.1 | -41.5 | 177.4 | -171 | 169.1 | -171.8 | 0 | 0 | 111.8 | K101 A102 E103 Q108 Q109 | K101-E105 WeakPolarHBondContact O-CB 3.28Å; K101-E105 PolarHBondContact O-N 3.21Å; A102-E105 PolarHBondContact O-N 3.01Å; E103-E105 VanDerWaalsContact C-N 3.35Å; E103-E105 PolarHBondContact O-N 3.47Å; E105-Q108 PolarHBondContact O-N 3.26Å; E105-Q109 WeakPolarHBondContact O-CB 3.42Å; E105-Q109 PolarHBondContact O-N 2.65Å |
| 106 | E | 98.5 | Very high | 97.2 | Very high | 132 Ų | 132 | 108 Ų | 108 | 62% | 0.617 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.8 | -46.7 | 173.9 | -176.6 | 176.8 | 170.5 | 0 | 0 | 111.8 | A102 E103 Q108 Q109 R110 | A102-E106 WeakPolarHBondContact O-CB 3.5Å; A102-E106 PolarHBondContact O-N 3.4Å; E103-E106 PolarHBondContact O-N 2.87Å; E106-Q108 VanDerWaalsContact C-N 3.34Å; E106-Q108 PolarHBondContact O-N 3.07Å; E106-Q109 WeakPolarHBondContact O-CB 3.32Å; E106-Q109 PolarHBondContact O-N 2.94Å; E106-R110 WeakPolarHBondContact O-CB 3.46Å; E106-R110 PolarHBondContact O-N 3.49Å |
| 107 | L | 98.6 | Very high | 97.6 | Very high | 102 Ų | 102 | 105.7 Ų | 105.7 | 53% | 0.534 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63 | -39.7 | 177 | -71.7 | 172.1 | 0 | 0 | 0 | 111.8 | E103 Q109 R110 E111 | E103-L107 HydrophobicContact CG-CD1 4.04Å; E103-L107 HydrophobicContact CG-CG 4.47Å; E103-L107 WeakPolarHBondContact O-CB 3.26Å; E103-L107 VanDerWaalsContact O-CG 3.24Å; E103-L107 WeakPolarHBondContact O-CG 3.47Å; E103-L107 PolarHBondContact O-N 3.49Å; L107-Q109 VanDerWaalsContact C-N 3.33Å; L107-Q109 PolarHBondContact O-N 2.95Å; L107-R110 WeakPolarHBondContact O-CB 3.2Å; L107-R110 PolarHBondContact O-N 2.79Å; L107-E111 WeakPolarHBondContact O-CB 3.37Å; L107-E111 PolarHBondContact O-N 3.14Å |
| 108 | Q | 98.6 | Very high | 98 | Very high | 109 Ų | 109 | 106.6 Ų | 106.6 | 51% | 0.509 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.5 | -33.1 | 175.6 | -164.1 | -173.2 | -1.4 | 0 | 0 | 112 | I104 E105 E106 Q112 | I104-Q108 VanDerWaalsContact O-CB 3.27Å; I104-Q108 WeakPolarHBondContact O-CB 3.46Å; I104-Q108 PolarHBondContact O-N 3.23Å; E105-Q108 PolarHBondContact O-N 3.26Å; E106-Q108 VanDerWaalsContact C-N 3.34Å; E106-Q108 PolarHBondContact O-N 3.07Å; Q108-Q112 WeakPolarHBondContact O-CG 3.43Å; Q108-Q112 PolarHBondContact O-N 2.84Å; Q108-Q112 PolarHBondContact O-NE2 3.03Å |
| 109 | Q | 98.6 | Very high | 98.2 | Very high | 135 Ų | 135 | 105 Ų | 105 | 63% | 0.631 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -69 | -41.1 | 171.2 | -172.9 | 177.5 | 14 | 0 | 0 | 111.3 | E105 E106 L107 Q112 E113 | E105-Q109 WeakPolarHBondContact O-CB 3.42Å; E105-Q109 PolarHBondContact O-N 2.65Å; E106-Q109 WeakPolarHBondContact O-CB 3.32Å; E106-Q109 PolarHBondContact O-N 2.94Å; L107-Q109 VanDerWaalsContact C-N 3.33Å; L107-Q109 PolarHBondContact O-N 2.95Å; Q109-Q112 PolarHBondContact O-N 3.19Å; Q109-E113 PolarHBondContact O-N 3.43Å |
| 110 | R | 98.5 | Very high | 98.3 | Very high | 118 Ų | 118 | 106.2 Ų | 106.2 | 45% | 0.445 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.6 | -42.1 | 177 | -159.8 | 84.7 | -169.9 | 105.2 | 9.2 | 111.9 | E106 L107 E113 L114 | E106-R110 WeakPolarHBondContact O-CB 3.46Å; E106-R110 PolarHBondContact O-N 3.49Å; L107-R110 WeakPolarHBondContact O-CB 3.2Å; L107-R110 PolarHBondContact O-N 2.79Å; R110-E113 IonicContact CZ-OE1 2.91Å; R110-E113 IonicContact NH1-OE1 3.67Å; R110-E113 PolarHBondContact NH1-OE1 3.24Å; R110-E113 IonicContact NH1-OE2 3.72Å; R110-E113 PolarHBondContact NH1-OE2 2.89Å; R110-E113 PolarHBondContact O-N 2.99Å; R110-L114 VanDerWaalsContact O-CG 3.31Å; R110-L114 WeakPolarHBondContact O-CG 3.4Å; R110-L114 PolarHBondContact O-N 3.33Å |
| 111 | E | 98.7 | Very high | 98.4 | Very high | 128 Ų | 128 | 105.7 Ų | 105.7 | 60% | 0.598 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.3 | -48.1 | 175.1 | -175.8 | 175.8 | -147.6 | 0 | 0 | 111.4 | L107 E113 L114 D115 | L107-E111 WeakPolarHBondContact O-CB 3.37Å; L107-E111 PolarHBondContact O-N 3.14Å; E111-E113 VanDerWaalsContact C-N 3.34Å; E111-E113 PolarHBondContact O-N 3.21Å; E111-L114 PolarHBondContact O-N 3.42Å; E111-D115 PolarHBondContact O-N 2.9Å |
| 112 | Q | 98.6 | Very high | 98.5 | Very high | 117 Ų | 117 | 104.6 Ų | 104.6 | 55% | 0.547 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.3 | -39.4 | 176.9 | -73.7 | 168.6 | 65.6 | 0 | 0 | 112.9 | Q108 Q109 Q116 | Q108-Q112 WeakPolarHBondContact O-CG 3.43Å; Q108-Q112 PolarHBondContact O-N 2.84Å; Q108-Q112 PolarHBondContact O-NE2 3.03Å; Q109-Q112 PolarHBondContact O-N 3.19Å; Q112-Q116 VanDerWaalsContact O-CB 3.3Å; Q112-Q116 WeakPolarHBondContact O-CB 3.34Å; Q112-Q116 PolarHBondContact O-N 2.95Å |
| 113 | E | 98.6 | Very high | 98.5 | Very high | 78 Ų | 78 | 105.7 Ų | 105.7 | 36% | 0.364 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.6 | -46.7 | 174.2 | -172.4 | -163.1 | 128 | 0 | 0 | 111.3 | Q109 R110 E111 Q116 H117 | Q109-E113 PolarHBondContact O-N 3.43Å; R110-E113 IonicContact CZ-OE1 2.91Å; R110-E113 IonicContact NH1-OE1 3.67Å; R110-E113 PolarHBondContact NH1-OE1 3.24Å; R110-E113 IonicContact NH1-OE2 3.72Å; R110-E113 PolarHBondContact NH1-OE2 2.89Å; R110-E113 PolarHBondContact O-N 2.99Å; E111-E113 VanDerWaalsContact C-N 3.34Å; E111-E113 PolarHBondContact O-N 3.21Å; E113-Q116 PolarHBondContact O-N 3.15Å; E113-H117 WeakPolarHBondContact O-CB 3.48Å; E113-H117 PolarHBondContact O-CD2 2.93Å; E113-H117 VanDerWaalsContact O-CG 3.23Å; E113-H117 PolarHBondContact O-N 2.96Å; E113-H117 IonicContact OE1-CE1 2.73Å; E113-H117 PolarHBondContact OE1-CE1 3.17Å; E113-H117 VanDerWaalsContact OE1-CE1 3.24Å; E113-H117 IonicContact OE1-ND1 3.87Å |
| 114 | L | 98.7 | Very high | 98.5 | Very high | 97 Ų | 97 | 104.1 Ų | 104.1 | 51% | 0.508 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.1 | -40.6 | 179.5 | -72.1 | 170.5 | 0 | 0 | 0 | 112.4 | R110 E111 H117 K118 | R110-L114 VanDerWaalsContact O-CG 3.31Å; R110-L114 WeakPolarHBondContact O-CG 3.4Å; R110-L114 PolarHBondContact O-N 3.33Å; E111-L114 PolarHBondContact O-N 3.42Å; L114-H117 PolarHBondContact O-N 3.25Å; L114-K118 VanDerWaalsContact O-CB 3.28Å; L114-K118 WeakPolarHBondContact O-CB 3.24Å; L114-K118 PolarHBondContact O-N 3.27Å |
| 115 | D | 98.7 | Very high | 98.5 | Very high | 75 Ų | 75 | 103.5 Ų | 103.5 | 40% | 0.401 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67 | -37.8 | 174.2 | -109.9 | -10.1 | 0 | 0 | 0 | 111.8 | E111 K118 V119 | E111-D115 PolarHBondContact O-N 2.9Å; D115-K118 WeakPolarHBondContact O-CB 3.39Å; D115-K118 PolarHBondContact O-N 3.09Å; D115-K118 WeakPolarHBondContact OD1-CD 3.27Å; D115-K118 WeakPolarHBondContact OD1-CE 3.49Å; D115-K118 IonicContact OD1-NZ 3.8Å; D115-K118 PolarHBondContact OD1-NZ 3.26Å; D115-V119 WeakPolarHBondContact O-CG2 3.41Å; D115-V119 PolarHBondContact O-N 3.44Å |
| 116 | Q | 98.6 | Very high | 98.4 | Very high | 89 Ų | 89 | 102 Ų | 102 | 42% | 0.416 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.5 | -42 | 174.2 | -177.5 | 59.8 | 100.9 | 0 | 0 | 111.7 | Q112 E113 V119 W120 | Q112-Q116 VanDerWaalsContact O-CB 3.3Å; Q112-Q116 WeakPolarHBondContact O-CB 3.34Å; Q112-Q116 PolarHBondContact O-N 2.95Å; E113-Q116 PolarHBondContact O-N 3.15Å; Q116-V119 PolarHBondContact O-N 3.05Å; Q116-W120 HydrophobicContact CG-CD2 4.25Å; Q116-W120 HydrophobicContact CG-CH2 4.02Å; Q116-W120 HydrophobicContact CG-CZ2 3.52Å; Q116-W120 PolarHBondContact O-N 2.87Å |
| 117 | H | 98.6 | Very high | 98.3 | Very high | 74 Ų | 74 | 100.3 Ų | 100.3 | 34% | 0.343 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.4 | -43.1 | 174 | -69.9 | 173.7 | 0 | 0 | 0 | 112 | E113 L114 V119 W120 V121 | E113-H117 WeakPolarHBondContact O-CB 3.48Å; E113-H117 PolarHBondContact O-CD2 2.93Å; E113-H117 VanDerWaalsContact O-CG 3.23Å; E113-H117 PolarHBondContact O-N 2.96Å; E113-H117 IonicContact OE1-CE1 2.73Å; E113-H117 PolarHBondContact OE1-CE1 3.17Å; E113-H117 VanDerWaalsContact OE1-CE1 3.24Å; E113-H117 IonicContact OE1-ND1 3.87Å; L114-H117 PolarHBondContact O-N 3.25Å; H117-V119 PolarHBondContact O-N 3.39Å; H117-W120 AromaticContact CD2-CE3 3.54Å; H117-W120 AromaticContact CD2-CZ3 3.37Å; H117-W120 WeakPolarHBondContact CD2-CZ3 3.3Å; H117-W120 AromaticContact NE2-CZ3 3.69Å; H117-W120 PolarHBondContact O-N 2.92Å; H117-V121 WeakPolarHBondContact O-CG2 3.46Å; H117-V121 PolarHBondContact O-N 3.46Å |
| 118 | K | 98.6 | Very high | 98.2 | Very high | 111 Ų | 111 | 99.2 Ų | 99.2 | 48% | 0.483 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -58.2 | -44.8 | 174.3 | 165.7 | 177.7 | 144.3 | -155.1 | 0 | 111.8 | L114 D115 V121 Q122 | L114-K118 VanDerWaalsContact O-CB 3.28Å; L114-K118 WeakPolarHBondContact O-CB 3.24Å; L114-K118 PolarHBondContact O-N 3.27Å; D115-K118 WeakPolarHBondContact O-CB 3.39Å; D115-K118 PolarHBondContact O-N 3.09Å; D115-K118 WeakPolarHBondContact OD1-CD 3.27Å; D115-K118 WeakPolarHBondContact OD1-CE 3.49Å; D115-K118 IonicContact OD1-NZ 3.8Å; D115-K118 PolarHBondContact OD1-NZ 3.26Å; K118-V121 PolarHBondContact O-N 3.47Å; K118-Q122 WeakPolarHBondContact O-CB 3.33Å; K118-Q122 VanDerWaalsContact O-CG 3.26Å; K118-Q122 WeakPolarHBondContact O-CG 3.35Å; K118-Q122 PolarHBondContact O-N 3Å |
| 119 | V | 98.6 | Very high | 98.1 | Very high | 76 Ų | 76 | 98.4 Ų | 98.4 | 46% | 0.461 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.5 | -41.2 | 175 | 170.8 | 0 | 0 | 0 | 0 | 111.7 | D115 Q116 H117 Q122 Q123 | D115-V119 WeakPolarHBondContact O-CG2 3.41Å; D115-V119 PolarHBondContact O-N 3.44Å; Q116-V119 PolarHBondContact O-N 3.05Å; H117-V119 PolarHBondContact O-N 3.39Å; V119-Q122 PolarHBondContact O-N 2.96Å; V119-Q123 WeakPolarHBondContact O-CB 3.35Å; V119-Q123 PolarHBondContact O-N 2.96Å |
| 120 | W | 98.4 | Very high | 97.9 | Very high | 153 Ų | 153 | 98.4 Ų | 98.4 | 58% | 0.58 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -63.2 | -44.4 | 175.3 | -67.9 | -18 | 0 | 0 | 0 | 112.5 | Q116 H117 Q123 S124 | Q116-W120 HydrophobicContact CG-CD2 4.25Å; Q116-W120 HydrophobicContact CG-CH2 4.02Å; Q116-W120 HydrophobicContact CG-CZ2 3.52Å; Q116-W120 PolarHBondContact O-N 2.87Å; H117-W120 AromaticContact CD2-CE3 3.54Å; H117-W120 AromaticContact CD2-CZ3 3.37Å; H117-W120 WeakPolarHBondContact CD2-CZ3 3.3Å; H117-W120 AromaticContact NE2-CZ3 3.69Å; H117-W120 PolarHBondContact O-N 2.92Å; W120-Q123 PolarHBondContact O-N 3.44Å; W120-S124 VanDerWaalsContact O-CB 3.25Å; W120-S124 WeakPolarHBondContact O-CB 3.48Å; W120-S124 PolarHBondContact O-N 3.04Å |
| 121 | V | 98.7 | Very high | 97.7 | Very high | 86 Ų | 86 | 96 Ų | 96 | 52% | 0.521 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.2 | -43 | 177.5 | 172.5 | 0 | 0 | 0 | 0 | 111 | H117 K118 Q123 S124 I125 | H117-V121 WeakPolarHBondContact O-CG2 3.46Å; H117-V121 PolarHBondContact O-N 3.46Å; K118-V121 PolarHBondContact O-N 3.47Å; V121-Q123 PolarHBondContact O-N 2.86Å; V121-S124 PolarHBondContact O-N 3.01Å; V121-I125 HydrophobicContact CG1-CD1 3.85Å; V121-I125 HydrophobicContact CG1-CG1 4.39Å; V121-I125 VanDerWaalsContact O-CG1 3.32Å; V121-I125 WeakPolarHBondContact O-CG1 3.43Å; V121-I125 PolarHBondContact O-N 3.05Å |
| 122 | Q | 98.4 | Very high | 97.5 | Very high | 108 Ų | 108 | 95.3 Ų | 95.3 | 51% | 0.505 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.7 | -43.2 | 175.3 | -76.4 | 177.6 | -13.3 | 0 | 0 | 112.4 | K118 V119 R126 | K118-Q122 WeakPolarHBondContact O-CB 3.33Å; K118-Q122 VanDerWaalsContact O-CG 3.26Å; K118-Q122 WeakPolarHBondContact O-CG 3.35Å; K118-Q122 PolarHBondContact O-N 3Å; V119-Q122 PolarHBondContact O-N 2.96Å; Q122-R126 WeakPolarHBondContact O-CB 3.49Å; Q122-R126 PolarHBondContact O-N 2.79Å |
| 123 | Q | 98.3 | Very high | 97.3 | Very high | 77 Ų | 77 | 96.5 Ų | 96.5 | 36% | 0.36 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -71.2 | -32.8 | 175.7 | -171.5 | 60.3 | 42.4 | 0 | 0 | 112.1 | V119 W120 V121 R126 N127 | V119-Q123 WeakPolarHBondContact O-CB 3.35Å; V119-Q123 PolarHBondContact O-N 2.96Å; W120-Q123 PolarHBondContact O-N 3.44Å; V121-Q123 PolarHBondContact O-N 2.86Å; Q123-R126 PolarHBondContact O-N 2.64Å; Q123-N127 PolarHBondContact NE2-OD1 3.39Å; Q123-N127 WeakPolarHBondContact O-CB 3.38Å; Q123-N127 PolarHBondContact O-N 2.76Å; Q123-N127 PolarHBondContact O-ND2 2.91Å; Q123-N127 PolarHBondContact O-OD1 2.84Å |
| 124 | S | 98.3 | Very high | 97.1 | Very high | 70 Ų | 70 | 95.3 Ų | 95.3 | 49% | 0.49 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.9 | -45.7 | 174.8 | -177.3 | 0 | 0 | 0 | 0 | 111.7 | W120 V121 N127 V128 | W120-S124 VanDerWaalsContact O-CB 3.25Å; W120-S124 WeakPolarHBondContact O-CB 3.48Å; W120-S124 PolarHBondContact O-N 3.04Å; V121-S124 PolarHBondContact O-N 3.01Å; S124-N127 PolarHBondContact O-N 3.07Å; S124-V128 PolarHBondContact O-N 3.14Å; S124-V128 VanDerWaalsContact O-N 3.12Å |
| 125 | I | 97.8 | Very high | 96.7 | Very high | 95 Ų | 95 | 94.4 Ų | 94.4 | 49% | 0.487 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -56.8 | -51.8 | 172 | -69.4 | 166.9 | 0 | 0 | 0 | 109.5 | V121 N127 V128 T129 | V121-I125 HydrophobicContact CG1-CD1 3.85Å; V121-I125 HydrophobicContact CG1-CG1 4.39Å; V121-I125 VanDerWaalsContact O-CG1 3.32Å; V121-I125 WeakPolarHBondContact O-CG1 3.43Å; V121-I125 PolarHBondContact O-N 3.05Å; I125-N127 VanDerWaalsContact C-N 3.34Å; I125-N127 PolarHBondContact O-N 3.44Å; I125-V128 VanDerWaalsContact O-CG2 3.25Å; I125-V128 WeakPolarHBondContact O-CG2 3.32Å; I125-V128 PolarHBondContact O-N 2.96Å; I125-V128 VanDerWaalsContact O-N 3.14Å; I125-T129 HydrophobicContact CG2-CG2 4.2Å; I125-T129 WeakPolarHBondContact O-CG2 3.36Å; I125-T129 PolarHBondContact O-N 3.43Å; I125-T129 PolarHBondContact O-OG1 2.9Å |
| 126 | R | 96.8 | Very high | 96.3 | Very high | 113 Ų | 113 | 95.8 Ų | 95.8 | 43% | 0.426 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -52.6 | -51.1 | 177 | -175.6 | -179.4 | -72.7 | 126.1 | 0.9 | 111.8 | Q122 Q123 V128 T129 E130 | Q122-R126 WeakPolarHBondContact O-CB 3.49Å; Q122-R126 PolarHBondContact O-N 2.79Å; Q123-R126 PolarHBondContact O-N 2.64Å; R126-V128 VanDerWaalsContact C-N 3.28Å; R126-V128 PolarHBondContact O-N 3.16Å; R126-T129 PolarHBondContact O-N 3.17Å; R126-T129 PolarHBondContact O-OG1 3.2Å; R126-E130 WeakPolarHBondContact CD-OE2 3.28Å; R126-E130 HydrophobicContact CG-CG 4.03Å; R126-E130 WeakPolarHBondContact CG-OE1 3.36Å; R126-E130 WeakPolarHBondContact CG-OE2 3.26Å; R126-E130 IonicContact NE-OE1 3.15Å; R126-E130 WeakPolarHBondContact O-CB 3.36Å; R126-E130 PolarHBondContact O-N 3Å |
| 127 | N | 96.6 | Very high | 96.1 | Very high | 96 Ų | 96 | 97.1 Ų | 97.1 | 51% | 0.513 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -57.5 | -38.6 | -179.1 | -70.8 | -9.4 | 0 | 0 | 0 | 112.5 | Q123 S124 I125 | Q123-N127 PolarHBondContact NE2-OD1 3.39Å; Q123-N127 WeakPolarHBondContact O-CB 3.38Å; Q123-N127 PolarHBondContact O-N 2.76Å; Q123-N127 PolarHBondContact O-ND2 2.91Å; Q123-N127 PolarHBondContact O-OD1 2.84Å; S124-N127 PolarHBondContact O-N 3.07Å; I125-N127 VanDerWaalsContact C-N 3.34Å; I125-N127 PolarHBondContact O-N 3.44Å |
| 128 | V | 96.7 | Very high | 95.9 | Very high | 79 Ų | 79 | 98.2 Ų | 98.2 | 48% | 0.479 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -82.9 | -29.7 | 179.6 | -58.9 | 0 | 0 | 0 | 0 | 113.2 | S124 I125 R126 N134 | S124-V128 PolarHBondContact O-N 3.14Å; S124-V128 VanDerWaalsContact O-N 3.12Å; I125-V128 VanDerWaalsContact O-CG2 3.25Å; I125-V128 WeakPolarHBondContact O-CG2 3.32Å; I125-V128 PolarHBondContact O-N 2.96Å; I125-V128 VanDerWaalsContact O-N 3.14Å; R126-V128 VanDerWaalsContact C-N 3.28Å; R126-V128 PolarHBondContact O-N 3.16Å; V128-N134 WeakPolarHBondContact O-CB 3.27Å; V128-N134 PolarHBondContact O-ND2 2.98Å |
| 129 | T | 95.4 | Very high | 95.7 | Very high | 91 Ų | 91 | 100.9 Ų | 100.9 | 56% | 0.558 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -82.2 | -30.8 | 178.9 | 55.9 | 0 | 0 | 0 | 0 | 113.8 | I125 R126 | I125-T129 HydrophobicContact CG2-CG2 4.2Å; I125-T129 WeakPolarHBondContact O-CG2 3.36Å; I125-T129 PolarHBondContact O-N 3.43Å; I125-T129 PolarHBondContact O-OG1 2.9Å; R126-T129 PolarHBondContact O-N 3.17Å; R126-T129 PolarHBondContact O-OG1 3.2Å |
| 130 | E | 94.3 | Very high | 95.6 | Very high | 135 Ų | 135 | 102 Ų | 102 | 63% | 0.631 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -89.5 | -2 | 179.4 | -64.4 | 179.2 | 179.4 | 0 | 0 | 112.7 | R126 V132 | R126-E130 WeakPolarHBondContact CD-OE2 3.28Å; R126-E130 HydrophobicContact CG-CG 4.03Å; R126-E130 WeakPolarHBondContact CG-OE1 3.36Å; R126-E130 WeakPolarHBondContact CG-OE2 3.26Å; R126-E130 IonicContact NE-OE1 3.15Å; R126-E130 WeakPolarHBondContact O-CB 3.36Å; R126-E130 PolarHBondContact O-N 3Å; E130-V132 PolarHBondContact O-N 3.02Å |
| 131 | D | 95.4 | Very high | 95.4 | Very high | 68 Ų | 68 | 97.6 Ų | 97.6 | 36% | 0.364 | 54% | 0.536 | S | S | . | . | trans | -69.2 | 125.5 | 172.8 | -167.5 | -21.2 | 0 | 0 | 0 | 111.1 | Q133 N134 S135 | D131-Q133 PolarHBondContact O-N 3.23Å; D131-Q133 WeakPolarHBondContact OD1-CB 3.4Å; D131-Q133 WeakPolarHBondContact OD1-CG 3.46Å; D131-Q133 PolarHBondContact OD1-N 3.28Å; D131-N134 HydrophobicContact CB-CB 4.32Å; D131-N134 PolarHBondContact O-N 2.8Å; D131-S135 PolarHBondContact O-N 3.36Å; D131-S135 VanDerWaalsContact O-N 3.1Å; D131-S135 PolarHBondContact O-OG 3.08Å; D131-S135 VanDerWaalsContact O-OG 3.08Å | ||
| 132 | V | 94.2 | Very high | 95 | Very high | 113 Ų | 113 | 98.9 Ų | 98.9 | 69% | 0.685 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -29.5 | 176.1 | -177.2 | 0 | 0 | 0 | 0 | 111.8 | E130 | E130-V132 PolarHBondContact O-N 3.02Š|
| 133 | Q | 94.3 | Very high | 94.7 | Very high | 142 Ų | 142 | 99.7 Ų | 99.7 | 66% | 0.664 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -36.4 | 175.4 | -55.9 | -49.7 | -75.4 | 0 | 0 | 112.1 | D131 | D131-Q133 PolarHBondContact O-N 3.23Å; D131-Q133 WeakPolarHBondContact OD1-CB 3.4Å; D131-Q133 WeakPolarHBondContact OD1-CG 3.46Å; D131-Q133 PolarHBondContact OD1-N 3.28Å |
| 134 | N | 93.8 | Very high | 94.5 | Very high | 53 Ų | 53 | 98.8 Ų | 98.8 | 28% | 0.283 | 54% | 0.538 | S | S | . | . | G | 310 helix | trans | -84.9 | -15.4 | -178.2 | -62.5 | -24.6 | 0 | 0 | 0 | 113 | V128 D131 C136 L137 A138 | V128-N134 WeakPolarHBondContact O-CB 3.27Å; V128-N134 PolarHBondContact O-ND2 2.98Å; D131-N134 HydrophobicContact CB-CB 4.32Å; D131-N134 PolarHBondContact O-N 2.8Å; N134-C136 PolarHBondContact O-N 3.03Å; N134-C136 VanDerWaalsContact O-N 3.11Å; N134-L137 PolarHBondContact O-N 2.85Å; N134-A138 PolarHBondContact O-N 2.66Å; N134-A138 VanDerWaalsContact O-N 3.15Å |
| 135 | S | 89.6 | Confident | 94.2 | Very high | 78 Ų | 78 | 98 Ų | 98 | 55% | 0.545 | 53% | 0.528 | S | S | . | . | G | 310 helix | trans | -56.6 | -27.1 | -180 | -65.6 | 0 | 0 | 0 | 0 | 113.9 | D131 | D131-S135 PolarHBondContact O-N 3.36Å; D131-S135 VanDerWaalsContact O-N 3.1Å; D131-S135 PolarHBondContact O-OG 3.08Å; D131-S135 VanDerWaalsContact O-OG 3.08Å |
| 136 | C | 91.2 | Very high | 93.9 | Very high | 105 Ų | 105 | 95 Ų | 95 | 71% | 0.709 | 51% | 0.514 | S | S | * | . | G | 310 helix | trans | -98.9 | 2.5 | 175.4 | -64.8 | 0 | 0 | 0 | 0 | 114 | N134 Y139 | N134-C136 PolarHBondContact O-N 3.03Å; N134-C136 VanDerWaalsContact O-N 3.11Å; C136-Y139 WeakPolarHBondContact O-CD1 3.19Å; C136-Y139 WeakPolarHBondContact O-CE1 3.44Å |
| 137 | L | 95.1 | Very high | 93.7 | Very high | 116 Ų | 116 | 96.4 Ų | 96.4 | 61% | 0.607 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.5 | -19.3 | -175.7 | -57.9 | -180 | 0 | 0 | 0 | 113 | N134 Y139 | N134-L137 PolarHBondContact O-N 2.85Å; L137-Y139 PolarHBondContact O-N 3.3Å |
| 138 | A | 94.6 | Very high | 93.6 | Very high | 97 Ų | 97 | 96.2 Ų | 96.2 | 80% | 0.802 | 53% | 0.525 | S | S | * | . | trans | -76.9 | 65 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | N134 | N134-A138 PolarHBondContact O-N 2.66Å; N134-A138 VanDerWaalsContact O-N 3.15Å | ||
| 139 | Y | 94 | Very high | 93.3 | Very high | 167 Ų | 167 | 97.5 Ų | 97.5 | 66% | 0.655 | 52% | 0.524 | S | S | * | . | trans | -138.5 | 169.1 | 175.2 | 70.4 | -89 | 0 | 0 | 0 | 112 | C136 L137 T141 | C136-Y139 WeakPolarHBondContact O-CD1 3.19Å; C136-Y139 WeakPolarHBondContact O-CE1 3.44Å; L137-Y139 PolarHBondContact O-N 3.3Å; Y139-T141 HydrophobicContact CE2-CG2 4.39Å | ||
| 140 | V | 95.4 | Very high | 92.9 | Very high | 99 Ų | 99 | 97.4 Ų | 97.4 | 60% | 0.6 | 53% | 0.533 | S | S | * | . | trans | -124.7 | 150.5 | 173 | -68 | 0 | 0 | 0 | 0 | 109 | I145 | V140-I145 HydrophobicContact CB-CG1 4.43Å; V140-I145 HydrophobicContact CG2-CD1 3.96Å; V140-I145 HydrophobicContact CG2-CG1 3.77Å | ||
| 141 | T | 94.4 | Very high | 92.5 | Very high | 61 Ų | 61 | 94.1 Ų | 94.1 | 37% | 0.374 | 54% | 0.535 | S | S | . | . | trans | -85 | 163.9 | 178.7 | 76.9 | 0 | 0 | 0 | 0 | 111.9 | Y139 E143 D144 I145 | Y139-T141 HydrophobicContact CE2-CG2 4.39Å; T141-E143 PolarHBondContact O-N 3.02Å; T141-E143 PolarHBondContact OG1-N 3.29Å; T141-D144 VanDerWaalsContact CB-OD2 3.3Å; T141-D144 WeakPolarHBondContact CB-OD2 3.18Å; T141-D144 WeakPolarHBondContact CG2-OD2 3.45Å; T141-D144 PolarHBondContact N-OD2 2.92Å; T141-D144 VanDerWaalsContact N-OD2 3.11Å; T141-D144 PolarHBondContact O-N 2.8Å; T141-D144 PolarHBondContact OG1-N 3.27Å; T141-D144 VanDerWaalsContact OG1-N 3.16Å; T141-D144 PolarHBondContact OG1-OD2 2.94Å; T141-I145 PolarHBondContact O-N 3.09Å | ||
| 142 | H | 90.7 | Very high | 92.2 | Very high | 113 Ų | 113 | 95.2 Ų | 95.2 | 52% | 0.523 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -55.2 | -40.1 | 167.7 | 165.3 | -81 | 0 | 0 | 0 | 111.7 | C146 | H142-C146 WeakPolarHBondContact O-CB 3.37Å; H142-C146 PolarHBondContact O-N 2.99Å; H142-C146 PolarHBondContact O-SG 2.99Å; H142-C146 VanDerWaalsContact O-SG 3.38Å |
| 143 | E | 92.1 | Very high | 92.1 | Very high | 125 Ų | 125 | 95.1 Ų | 95.1 | 58% | 0.584 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.8 | -41 | -178.9 | -160.9 | -170.4 | 137 | 0 | 0 | 111.2 | T141 C146 R147 | T141-E143 PolarHBondContact O-N 3.02Å; T141-E143 PolarHBondContact OG1-N 3.29Å; E143-C146 PolarHBondContact O-N 3.35Å; E143-R147 VanDerWaalsContact CD-NH2 3.27Å; E143-R147 WeakPolarHBondContact O-CB 3.48Å; E143-R147 PolarHBondContact O-N 2.97Å; E143-R147 IonicContact OE1-CZ 3.66Å; E143-R147 IonicContact OE1-NE 3.85Å; E143-R147 IonicContact OE1-NH2 2.7Å; E143-R147 PolarHBondContact OE1-NH2 2.66Å |
| 144 | D | 93.6 | Very high | 92 | Very high | 58 Ų | 58 | 89.5 Ų | 89.5 | 31% | 0.31 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.1 | -44.4 | 179.9 | -55.3 | -51.7 | 0 | 0 | 0 | 112 | T141 R147 C148 | T141-D144 VanDerWaalsContact CB-OD2 3.3Å; T141-D144 WeakPolarHBondContact CB-OD2 3.18Å; T141-D144 WeakPolarHBondContact CG2-OD2 3.45Å; T141-D144 PolarHBondContact N-OD2 2.92Å; T141-D144 VanDerWaalsContact N-OD2 3.11Å; T141-D144 PolarHBondContact O-N 2.8Å; T141-D144 PolarHBondContact OG1-N 3.27Å; T141-D144 VanDerWaalsContact OG1-N 3.16Å; T141-D144 PolarHBondContact OG1-OD2 2.94Å; D144-R147 PolarHBondContact O-N 3.32Å; D144-R147 IonicContact OD1-CZ 3.64Å; D144-R147 IonicContact OD1-NH1 2.78Å; D144-R147 PolarHBondContact OD1-NH1 3.41Å; D144-R147 IonicContact OD1-NH2 3.58Å; D144-C148 PolarHBondContact O-N 2.87Å; D144-C148 PolarHBondContact O-SG 3.29Å |
| 145 | I | 93.3 | Very high | 92 | Very high | 55 Ų | 55 | 92.2 Ų | 92.2 | 28% | 0.282 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.7 | -46.1 | 177.9 | -69.6 | -61.5 | 0 | 0 | 0 | 111.7 | V140 T141 R147 C148 F149 L154 V195 | V140-I145 HydrophobicContact CB-CG1 4.43Å; V140-I145 HydrophobicContact CG2-CD1 3.96Å; V140-I145 HydrophobicContact CG2-CG1 3.77Å; T141-I145 PolarHBondContact O-N 3.09Å; I145-R147 VanDerWaalsContact C-N 3.29Å; I145-R147 PolarHBondContact O-N 3.32Å; I145-C148 PolarHBondContact O-N 3.01Å; I145-F149 PolarHBondContact O-N 3.22Å; I145-L154 HydrophobicContact CG2-CD1 3.88Å; I145-V195 HydrophobicContact CG2-CG1 4.07Å |
| 146 | C | 90.8 | Very high | 92.3 | Very high | 30 Ų | 30 | 90.4 Ų | 90.4 | 20% | 0.203 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -71.2 | -22.9 | 179.2 | -66.7 | 0 | 0 | 0 | 0 | 113 | H142 E143 | H142-C146 WeakPolarHBondContact O-CB 3.37Å; H142-C146 PolarHBondContact O-N 2.99Å; H142-C146 PolarHBondContact O-SG 2.99Å; H142-C146 VanDerWaalsContact O-SG 3.38Å; E143-C146 PolarHBondContact O-N 3.35Å |
| 147 | R | 92.1 | Very high | 92.5 | Very high | 144 Ų | 144 | 88.9 Ų | 88.9 | 54% | 0.543 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -72.9 | -31.1 | 172.1 | -165.9 | -170.4 | -54.8 | 117.7 | -4.3 | 112.2 | E143 D144 I145 | E143-R147 VanDerWaalsContact CD-NH2 3.27Å; E143-R147 WeakPolarHBondContact O-CB 3.48Å; E143-R147 PolarHBondContact O-N 2.97Å; E143-R147 IonicContact OE1-CZ 3.66Å; E143-R147 IonicContact OE1-NE 3.85Å; E143-R147 IonicContact OE1-NH2 2.7Å; E143-R147 PolarHBondContact OE1-NH2 2.66Å; D144-R147 PolarHBondContact O-N 3.32Å; D144-R147 IonicContact OD1-CZ 3.64Å; D144-R147 IonicContact OD1-NH1 2.78Å; D144-R147 PolarHBondContact OD1-NH1 3.41Å; D144-R147 IonicContact OD1-NH2 3.58Å; I145-R147 VanDerWaalsContact C-N 3.29Å; I145-R147 PolarHBondContact O-N 3.32Å |
| 148 | C | 93.9 | Very high | 92.6 | Very high | 92 Ų | 92 | 91.1 Ų | 91.1 | 62% | 0.622 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -75.4 | -28.8 | 176.4 | -70.1 | 0 | 0 | 0 | 0 | 113.7 | D144 I145 | D144-C148 PolarHBondContact O-N 2.87Å; D144-C148 PolarHBondContact O-SG 3.29Å; I145-C148 PolarHBondContact O-N 3.01Å |
| 149 | F | 91.2 | Very high | 92.7 | Very high | 106 Ų | 106 | 88.7 Ų | 88.7 | 47% | 0.465 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -135.2 | 65.3 | -173.2 | -55.5 | -79.4 | 0 | 0 | 0 | 111 | I145 G151 D152 L154 | I145-F149 PolarHBondContact O-N 3.22Å; F149-G151 PolarHBondContact O-N 3.22Å; F149-D152 HydrophobicContact CB-CB 4.3Å; F149-D152 PolarHBondContact O-N 2.99Å; F149-L154 HydrophobicContact CB-CD1 3.89Å; F149-L154 HydrophobicContact CB-CD2 3.62Å; F149-L154 HydrophobicContact CB-CG 4.29Å; F149-L154 HydrophobicContact CD2-CD2 4.15Å; F149-L154 HydrophobicContact CG-CD2 3.98Å |
| 150 | A | 87.8 | Confident | 92.8 | Very high | 89 Ų | 89 | 82.4 Ų | 82.4 | 74% | 0.736 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | 117.4 | -173 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 151 | G | 85.3 | Confident | 92.8 | Very high | 65 Ų | 65 | 83.4 Ų | 83.4 | 67% | 0.67 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.4 | -5.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | F149 | F149-G151 PolarHBondContact O-N 3.22Š|
| 152 | D | 89.9 | Confident | 92.8 | Very high | 91 Ų | 91 | 84.1 Ų | 84.1 | 49% | 0.487 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -86.1 | 156.1 | 178.2 | -75.4 | -43.9 | 0 | 0 | 0 | 113.1 | F149 L154 N196 | F149-D152 HydrophobicContact CB-CB 4.3Å; F149-D152 PolarHBondContact O-N 2.99Å; D152-L154 HydrophobicContact CB-CD2 3.98Å; D152-L154 HydrophobicContact CB-CG 4.29Å; D152-N196 PolarHBondContact O-ND2 3.07Å |
| 153 | T | 90.8 | Very high | 93.1 | Very high | 112 Ų | 112 | 80.1 Ų | 80.1 | 69% | 0.687 | 48% | 0.477 | S | S | * | . | trans | -87.5 | 108.4 | 168.5 | -61.8 | 0 | 0 | 0 | 0 | 109.7 | L194 | T153-L194 HydrophobicContact CG2-CD1 3.93Š| ||
| 154 | L | 93.4 | Very high | 93.3 | Very high | 23 Ų | 23 | 77.3 Ų | 77.3 | 12% | 0.12 | 47% | 0.471 | C | S | . | . | trans | -104 | 126.4 | -167.2 | -63.1 | 171 | 0 | 0 | 0 | 112.9 | I145 F149 D152 V195 | I145-L154 HydrophobicContact CG2-CD1 3.88Å; F149-L154 HydrophobicContact CB-CD1 3.89Å; F149-L154 HydrophobicContact CB-CD2 3.62Å; F149-L154 HydrophobicContact CB-CG 4.29Å; F149-L154 HydrophobicContact CD2-CD2 4.15Å; F149-L154 HydrophobicContact CG-CD2 3.98Å; D152-L154 HydrophobicContact CB-CD2 3.98Å; D152-L154 HydrophobicContact CB-CG 4.29Å; L154-V195 HydrophobicContact CB-CB 4.01Å; L154-V195 HydrophobicContact CB-CG2 4.48Å; L154-V195 PolarHBondContact O-N 2.9Å | ||
| 155 | L | 93.9 | Very high | 93.4 | Very high | 110 Ų | 110 | 79.6 Ų | 79.6 | 58% | 0.576 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 112.9 | 176.6 | -64.3 | 176.6 | 0 | 0 | 0 | 110.3 | V192 L193 L194 | L155-V192 HydrophobicContact CB-CG1 4.37Å; L155-V192 HydrophobicContact CD2-CG1 4.31Å; L155-L193 WeakPolarHBondContact CA-O 3.26Å; L155-L194 HydrophobicContact CD2-CB 4.32Å; L155-L194 HydrophobicContact CD2-CD1 4Å |
| 156 | A | 94.9 | Very high | 93.5 | Very high | 40 Ų | 40 | 81.7 Ų | 81.7 | 33% | 0.331 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 115.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | V192 L193 V195 | A156-V192 WeakPolarHBondContact O-CA 3.46Å; A156-L193 HydrophobicContact CB-CB 4.37Å; A156-L193 PolarHBondContact N-O 3.28Å; A156-L193 PolarHBondContact O-N 3Å; A156-V195 HydrophobicContact CB-CG2 3.81Å |
| 157 | I | 96.1 | Very high | 93.7 | Very high | 74 Ų | 74 | 84.4 Ų | 84.4 | 38% | 0.379 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 122.5 | -178.1 | -58.7 | 162.2 | 0 | 0 | 0 | 109 | L183 I190 V192 | I157-L183 HydrophobicContact CD1-CD1 4.02Å; I157-L183 HydrophobicContact CG1-CD1 4.39Å; I157-L183 HydrophobicContact CG2-CD1 3.97Å; I157-I190 HydrophobicContact CG2-CG2 3.98Å; I157-V192 HydrophobicContact CG1-CG1 4.28Å; I157-V192 HydrophobicContact CG1-CG2 4.3Å; I157-V192 HydrophobicContact CG2-CG2 4.48Å |
| 158 | R | 96 | Very high | 93.6 | Very high | 162 Ų | 162 | 80.4 Ų | 80.4 | 61% | 0.611 | 50% | 0.499 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 114.2 | 172.5 | -62.5 | 179.1 | 72 | -142.4 | 9.4 | 108.7 | E191 | R158-E191 HydrophobicContact CB-CB 4.25Å; R158-E191 WeakPolarHBondContact CD-OE2 3.27Å; R158-E191 IonicContact CZ-OE2 3.14Å; R158-E191 PolarHBondContact N-O 3.01Å; R158-E191 IonicContact NE-OE2 2.86Å; R158-E191 IonicContact NH1-OE2 3.32Å; R158-E191 PolarHBondContact NH1-OE2 2.8Å; R158-E191 PolarHBondContact O-N 3.04Å |
| 159 | A | 96.5 | Very high | 93.3 | Very high | 47 Ų | 47 | 83 Ų | 83 | 39% | 0.388 | 51% | 0.506 | S | S | . | . | trans | -135.6 | 153.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | T163 I190 | A159-T163 HydrophobicContact CB-CG2 3.88Å; A159-I190 HydrophobicContact CB-CG1 4.12Å; A159-I190 HydrophobicContact CB-CG2 4.08Å | ||
| 160 | P | 97.2 | Very high | 93 | Very high | 35 Ų | 35 | 79.1 Ų | 79.1 | 23% | 0.227 | 49% | 0.491 | C | S | . | . | trans | -58.3 | 150.8 | 170.2 | -24.3 | 34.9 | 0 | 0 | 0 | 112.3 | T163 P189 | P160-T163 VanDerWaalsContact O-CB 3.28Å; P160-T163 WeakPolarHBondContact O-CB 3.42Å; P160-T163 PolarHBondContact O-N 2.87Å; P160-T163 VanDerWaalsContact O-N 3.15Å; P160-T163 PolarHBondContact O-OG1 3.45Å; P160-P189 WeakPolarHBondContact CD-O 3.33Å | ||
| 161 | S | 94.8 | Very high | 92.4 | Very high | 119 Ų | 119 | 83.6 Ų | 83.6 | 83% | 0.832 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | 141.9 | 171.8 | 46.1 | 0 | 0 | 0 | 0 | 111.1 | T163 | S161-T163 VanDerWaalsContact C-N 3.29Å; S161-T163 PolarHBondContact O-N 3.4Å |
| 162 | G | 94.3 | Very high | 91.3 | Very high | 76 Ų | 76 | 82.6 Ų | 82.6 | 78% | 0.784 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.4 | 7.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | S164 | G162-S164 PolarHBondContact O-N 3.49Š|
| 163 | T | 97.1 | Very high | 89.7 | Confident | 30 Ų | 30 | 86.3 Ų | 86.3 | 18% | 0.184 | 51% | 0.505 | C | S | . | . | trans | -62.1 | 127.7 | 165.4 | -64.4 | 0 | 0 | 0 | 0 | 109.9 | A159 P160 S161 S185 I190 | A159-T163 HydrophobicContact CB-CG2 3.88Å; P160-T163 VanDerWaalsContact O-CB 3.28Å; P160-T163 WeakPolarHBondContact O-CB 3.42Å; P160-T163 PolarHBondContact O-N 2.87Å; P160-T163 VanDerWaalsContact O-N 3.15Å; P160-T163 PolarHBondContact O-OG1 3.45Å; S161-T163 VanDerWaalsContact C-N 3.29Å; S161-T163 PolarHBondContact O-N 3.4Å; T163-S185 WeakPolarHBondContact OG1-CB 3.43Å; T163-S185 PolarHBondContact OG1-OG 2.93Å; T163-I190 HydrophobicContact CG2-CD1 3.66Å; T163-I190 HydrophobicContact CG2-CG1 4.41Å | ||
| 164 | S | 96.7 | Very high | 88.3 | Confident | 65 Ų | 65 | 88.6 Ų | 88.6 | 46% | 0.455 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 130.3 | 173.9 | -169.7 | 0 | 0 | 0 | 0 | 110.2 | G162 L183 K184 | G162-S164 PolarHBondContact O-N 3.49Å; S164-L183 WeakPolarHBondContact O-CA 3.34Å; S164-K184 PolarHBondContact N-O 3.16Å; S164-K184 PolarHBondContact O-N 3.41Å |
| 165 | L | 96.3 | Very high | 86.8 | Confident | 106 Ų | 106 | 90.9 Ų | 90.9 | 56% | 0.555 | 54% | 0.543 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 117.8 | 168.1 | -174.8 | 160.3 | 0 | 0 | 0 | 107.2 | V167 I181 H182 L183 | L165-V167 HydrophobicContact CD2-CG2 3.72Å; L165-I181 HydrophobicContact CD2-CG2 4.24Å; L165-I181 HydrophobicContact CG-CG2 4.08Å; L165-H182 WeakPolarHBondContact CA-O 3.15Å; L165-L183 HydrophobicContact CB-CD2 3.92Å; L165-L183 HydrophobicContact CD1-CD2 3.82Å; L165-L183 HydrophobicContact CG-CD2 3.66Å |
| 166 | E | 95.4 | Very high | 85.5 | Confident | 100 Ų | 100 | 94 Ų | 94 | 47% | 0.467 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.7 | 131 | -175.9 | 173.3 | -179.9 | -145.2 | 0 | 0 | 109.3 | H182 | E166-H182 HydrophobicContact CB-CB 4.21Å; E166-H182 PolarHBondContact N-O 3.03Å; E166-H182 PolarHBondContact O-N 2.92Å; E166-H182 IonicContact OE2-CE1 2.67Å; E166-H182 IonicContact OE2-CG 3.59Å; E166-H182 IonicContact OE2-ND1 2.67Å; E166-H182 PolarHBondContact OE2-ND1 2.92Å |
| 167 | V | 95 | Very high | 84.7 | Confident | 87 Ų | 87 | 96.9 Ų | 96.9 | 53% | 0.527 | 56% | 0.56 | S | S | . | * | trans | -123.9 | 100.4 | 176.6 | -175.4 | 0 | 0 | 0 | 0 | 107.8 | L165 I181 | L165-V167 HydrophobicContact CD2-CG2 3.72Å; V167-I181 HydrophobicContact CG2-CG1 4.32Å | ||
| 168 | P | 89.6 | Confident | 84.1 | Confident | 59 Ų | 59 | 100.4 Ų | 100.4 | 38% | 0.383 | 57% | 0.572 | S | S | . | * | trans | -61.5 | 142.6 | 175.6 | -23.9 | 35.4 | 0 | 0 | 0 | 111.6 | Q180 | P168-Q180 WeakPolarHBondContact CD-O 3.46Š| ||
| 169 | I | 87.1 | Confident | 83.7 | Confident | 148 Ų | 148 | 99.7 Ų | 99.7 | 76% | 0.759 | 57% | 0.57 | S | S | * | * | trans | -65.3 | 129.3 | 173.4 | -58.3 | 177.1 | 0 | 0 | 0 | 108.2 | E171 | I169-E171 PolarHBondContact O-N 2.85Å; I169-E171 VanDerWaalsContact O-N 3.1Å | ||
| 170 | P | 85.4 | Confident | 83.4 | Confident | 23 Ų | 23 | 102 Ų | 102 | 15% | 0.149 | 57% | 0.573 | C | S | . | * | trans | -74.3 | 102.7 | -176.3 | 29.5 | -35.5 | 0 | 0 | 0 | 111.5 | K177 Y179 | P170-K177 HydrophobicContact CB-CB 4.38Å; P170-Y179 HydrophobicContact CB-CE1 4.4Å; P170-Y179 HydrophobicContact CG-CD1 4.25Å; P170-Y179 HydrophobicContact CG-CE1 3.81Å | ||
| 171 | E | 74.6 | Confident | 83.3 | Confident | 183 Ų | 183 | 105.6 Ų | 105.6 | 86% | 0.855 | 59% | 0.589 | S | S | * | * | trans | -59.3 | 135.6 | 170.3 | -64.7 | -178.1 | -171.6 | 0 | 0 | 111 | I169 | I169-E171 PolarHBondContact O-N 2.85Å; I169-E171 VanDerWaalsContact O-N 3.1Å | ||
| 172 | G | 62.3 | Low | 83.3 | Confident | 44 Ų | 44 | 103.8 Ų | 103.8 | 45% | 0.454 | 57% | 0.568 | S | S | . | * | trans | -166.7 | 39.1 | -161.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | N174 | G172-N174 PolarHBondContact O-N 2.82Š| ||
| 173 | L | 57.4 | Low | 83.3 | Confident | 169 Ų | 169 | 102.7 Ų | 102.7 | 89% | 0.885 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -23.8 | 167 | -75.2 | 169.3 | 0 | 0 | 0 | 113 | ||
| 174 | N | 60.9 | Low | 83.3 | Confident | 160 Ų | 160 | 107.4 Ų | 107.4 | 86% | 0.856 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111 | 21.6 | -168.5 | -63.3 | 10.7 | 0 | 0 | 0 | 114.1 | G172 Q176 | G172-N174 PolarHBondContact O-N 2.82Å; N174-Q176 PolarHBondContact O-N 3.48Å |
| 175 | G | 61.8 | Low | 83.3 | Confident | 72 Ų | 72 | 105.7 Ų | 105.7 | 74% | 0.742 | 55% | 0.549 | S | S | * | . | S | Bend | trans | 87 | -2.7 | 162.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||
| 176 | Q | 66.3 | Low | 83.2 | Confident | 175 Ų | 175 | 107.1 Ų | 107.1 | 82% | 0.818 | 56% | 0.562 | S | S | * | * | trans | -115.1 | 89 | 169.3 | -72.9 | -160.5 | -29.1 | 0 | 0 | 111.8 | N174 K178 | N174-Q176 PolarHBondContact O-N 3.48Å; Q176-K178 PolarHBondContact O-N 3.41Å | ||
| 177 | K | 78.9 | Confident | 83.1 | Confident | 101 Ų | 101 | 106.9 Ų | 106.9 | 44% | 0.439 | 57% | 0.571 | S | S | . | * | trans | -65.6 | 99.4 | 168.7 | -70.6 | -166 | 175.9 | -169.7 | 0 | 109.4 | P170 Y179 T363 | P170-K177 HydrophobicContact CB-CB 4.38Å; K177-Y179 HydrophobicContact CB-CE2 3.8Å; K177-Y179 WeakPolarHBondContact CD-OH 3.22Å; K177-T363 PolarHBondContact NZ-O 3.42Å | ||
| 178 | K | 83.2 | Confident | 83.1 | Confident | 148 Ų | 148 | 104.2 Ų | 104.2 | 64% | 0.643 | 56% | 0.561 | S | S | * | * | trans | -90.9 | 118 | 173.6 | -174.5 | -166.9 | 174.5 | -156.1 | 0 | 109.8 | Q176 Q180 | Q176-K178 PolarHBondContact O-N 3.41Å; K178-Q180 VanDerWaalsContact NZ-OE1 3.13Å | ||
| 179 | Y | 87.6 | Confident | 83.4 | Confident | 146 Ų | 146 | 107.1 Ų | 107.1 | 57% | 0.573 | 58% | 0.581 | S | S | * | * | trans | -91.5 | 145.6 | 173.4 | -60.6 | -94.1 | 0 | 0 | 0 | 110.4 | P170 K177 | P170-Y179 HydrophobicContact CB-CE1 4.4Å; P170-Y179 HydrophobicContact CG-CD1 4.25Å; P170-Y179 HydrophobicContact CG-CE1 3.81Å; K177-Y179 HydrophobicContact CB-CE2 3.8Å; K177-Y179 WeakPolarHBondContact CD-OH 3.22Å | ||
| 180 | Q | 90.3 | Very high | 83.9 | Confident | 96 Ų | 96 | 102.6 Ų | 102.6 | 45% | 0.449 | 56% | 0.557 | S | S | . | * | trans | -146.7 | 141.9 | 179.6 | -173.5 | 168 | -56 | 0 | 0 | 110 | P168 K178 | P168-Q180 WeakPolarHBondContact CD-O 3.46Å; K178-Q180 VanDerWaalsContact NZ-OE1 3.13Å | ||
| 181 | I | 94.4 | Very high | 84.4 | Confident | 110 Ų | 110 | 105.5 Ų | 105.5 | 56% | 0.564 | 57% | 0.569 | S | S | * | * | trans | -119.6 | 126.3 | 170.8 | -55.5 | 175.6 | 0 | 0 | 0 | 106.9 | L165 V167 L183 | L165-I181 HydrophobicContact CD2-CG2 4.24Å; L165-I181 HydrophobicContact CG-CG2 4.08Å; V167-I181 HydrophobicContact CG2-CG1 4.32Å; I181-L183 HydrophobicContact CG2-CD2 4.12Å; I181-L183 HydrophobicContact CG2-CG 4.27Å | ||
| 182 | H | 94.1 | Very high | 85.4 | Confident | 82 Ų | 82 | 100.2 Ų | 100.2 | 38% | 0.38 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 126.8 | 177.2 | 176.5 | -144.4 | 0 | 0 | 0 | 109 | L165 E166 | L165-H182 WeakPolarHBondContact CA-O 3.15Å; E166-H182 HydrophobicContact CB-CB 4.21Å; E166-H182 PolarHBondContact N-O 3.03Å; E166-H182 PolarHBondContact O-N 2.92Å; E166-H182 IonicContact OE2-CE1 2.67Å; E166-H182 IonicContact OE2-CG 3.59Å; E166-H182 IonicContact OE2-ND1 2.67Å; E166-H182 PolarHBondContact OE2-ND1 2.92Å |
| 183 | L | 95.9 | Very high | 86.9 | Confident | 53 Ų | 53 | 102 Ų | 102 | 28% | 0.277 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 120.3 | -176.2 | -62.5 | 173.9 | 0 | 0 | 0 | 109.5 | I157 S164 L165 I181 I190 | I157-L183 HydrophobicContact CD1-CD1 4.02Å; I157-L183 HydrophobicContact CG1-CD1 4.39Å; I157-L183 HydrophobicContact CG2-CD1 3.97Å; S164-L183 WeakPolarHBondContact O-CA 3.34Å; L165-L183 HydrophobicContact CB-CD2 3.92Å; L165-L183 HydrophobicContact CD1-CD2 3.82Å; L165-L183 HydrophobicContact CG-CD2 3.66Å; I181-L183 HydrophobicContact CG2-CD2 4.12Å; I181-L183 HydrophobicContact CG2-CG 4.27Å; L183-I190 HydrophobicContact CB-CD1 3.77Å; L183-I190 HydrophobicContact CD1-CG2 4.45Å |
| 184 | K | 95.9 | Very high | 88.5 | Confident | 129 Ų | 129 | 97.2 Ų | 97.2 | 56% | 0.561 | 52% | 0.523 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 105.2 | -176.5 | -174 | 178.1 | -179.4 | 179.3 | 0 | 111.4 | S164 | S164-K184 PolarHBondContact N-O 3.16Å; S164-K184 PolarHBondContact O-N 3.41Å |
| 185 | S | 96.3 | Very high | 89.9 | Confident | 29 Ų | 29 | 91 Ų | 91 | 20% | 0.203 | 49% | 0.491 | C | S | . | . | trans | -97.1 | 145.5 | 173.1 | 177 | 0 | 0 | 0 | 0 | 110.7 | T163 S187 G188 | T163-S185 WeakPolarHBondContact OG1-CB 3.43Å; T163-S185 PolarHBondContact OG1-OG 2.93Å; S185-S187 PolarHBondContact OG-N 3.19Å; S185-G188 VanDerWaalsContact CB-O 3.23Å; S185-G188 WeakPolarHBondContact CB-O 3.42Å; S185-G188 PolarHBondContact OG-N 2.97Å; S185-G188 PolarHBondContact OG-O 3.31Å | ||
| 186 | V | 94.5 | Very high | 90.7 | Very high | 135 Ų | 135 | 89.1 Ų | 89.1 | 82% | 0.818 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -112.1 | -9.9 | 172 | -63.1 | 0 | 0 | 0 | 0 | 113.1 | ||
| 187 | S | 94.4 | Very high | 90.6 | Very high | 95 Ų | 95 | 88.9 Ų | 88.9 | 66% | 0.664 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -109.5 | -5.3 | -171.7 | -170.1 | 0 | 0 | 0 | 0 | 114.4 | S185 | S185-S187 PolarHBondContact OG-N 3.19Š|
| 188 | G | 94.3 | Very high | 89.5 | Confident | 31 Ų | 31 | 88.9 Ų | 88.9 | 32% | 0.32 | 46% | 0.461 | S | S | . | . | S | Bend | trans | 165.4 | 174.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | S185 | S185-G188 VanDerWaalsContact CB-O 3.23Å; S185-G188 WeakPolarHBondContact CB-O 3.42Å; S185-G188 PolarHBondContact OG-N 2.97Å; S185-G188 PolarHBondContact OG-O 3.31Å |
| 189 | P | 96.4 | Very high | 88 | Confident | 121 Ų | 121 | 86.2 Ų | 86.2 | 79% | 0.786 | 47% | 0.467 | S | S | * | . | trans | -66.5 | 159.6 | 178.5 | 30.6 | -36.2 | 0 | 0 | 0 | 112.1 | P160 | P160-P189 WeakPolarHBondContact CD-O 3.33Š| ||
| 190 | I | 96.9 | Very high | 86.2 | Confident | 53 Ų | 53 | 91 Ų | 91 | 27% | 0.272 | 48% | 0.484 | S | S | . | . | trans | -109.2 | 131.3 | 172.6 | -56.1 | 178.3 | 0 | 0 | 0 | 107.8 | I157 A159 T163 L183 V192 | I157-I190 HydrophobicContact CG2-CG2 3.98Å; A159-I190 HydrophobicContact CB-CG1 4.12Å; A159-I190 HydrophobicContact CB-CG2 4.08Å; T163-I190 HydrophobicContact CG2-CD1 3.66Å; T163-I190 HydrophobicContact CG2-CG1 4.41Å; L183-I190 HydrophobicContact CB-CD1 3.77Å; L183-I190 HydrophobicContact CD1-CG2 4.45Å; I190-V192 HydrophobicContact CG2-CG2 4.11Å | ||
| 191 | E | 96.1 | Very high | 84.3 | Confident | 83 Ų | 83 | 90.3 Ų | 90.3 | 39% | 0.388 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 134 | 173.4 | 174 | -178.4 | -144.3 | 0 | 0 | 109 | R158 L193 | R158-E191 HydrophobicContact CB-CB 4.25Å; R158-E191 WeakPolarHBondContact CD-OE2 3.27Å; R158-E191 IonicContact CZ-OE2 3.14Å; R158-E191 PolarHBondContact N-O 3.01Å; R158-E191 IonicContact NE-OE2 2.86Å; R158-E191 IonicContact NH1-OE2 3.32Å; R158-E191 PolarHBondContact NH1-OE2 2.8Å; R158-E191 PolarHBondContact O-N 3.04Å; E191-L193 HydrophobicContact CG-CD2 4.09Å; E191-L193 HydrophobicContact CG-CG 4.23Å |
| 192 | V | 95.3 | Very high | 82 | Confident | 73 Ų | 73 | 88.5 Ų | 88.5 | 44% | 0.442 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 123.9 | 178.1 | -175.3 | 0 | 0 | 0 | 0 | 108.6 | L155 A156 I157 I190 | L155-V192 HydrophobicContact CB-CG1 4.37Å; L155-V192 HydrophobicContact CD2-CG1 4.31Å; A156-V192 WeakPolarHBondContact O-CA 3.46Å; I157-V192 HydrophobicContact CG1-CG1 4.28Å; I157-V192 HydrophobicContact CG1-CG2 4.3Å; I157-V192 HydrophobicContact CG2-CG2 4.48Å; I190-V192 HydrophobicContact CG2-CG2 4.11Å |
| 193 | L | 93.1 | Very high | 79.9 | Confident | 80 Ų | 80 | 89.9 Ų | 89.9 | 42% | 0.419 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 123.9 | -177 | -55.9 | 175.2 | 0 | 0 | 0 | 109.7 | L155 A156 E191 V195 | L155-L193 WeakPolarHBondContact CA-O 3.26Å; A156-L193 HydrophobicContact CB-CB 4.37Å; A156-L193 PolarHBondContact N-O 3.28Å; A156-L193 PolarHBondContact O-N 3Å; E191-L193 HydrophobicContact CG-CD2 4.09Å; E191-L193 HydrophobicContact CG-CG 4.23Å; L193-V195 PolarHBondContact O-N 3.2Å |
| 194 | L | 92.4 | Very high | 78 | Confident | 69 Ų | 69 | 92.4 Ų | 92.4 | 36% | 0.361 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 113.2 | 167.1 | 177 | 64.9 | 0 | 0 | 0 | 108.5 | T153 L155 K197 | T153-L194 HydrophobicContact CG2-CD1 3.93Å; L155-L194 HydrophobicContact CD2-CB 4.32Å; L155-L194 HydrophobicContact CD2-CD1 4Å; L194-K197 HydrophobicContact CD2-CB 4.39Å; L194-K197 HydrophobicContact CD2-CG 4.3Å |
| 195 | V | 88.8 | Confident | 76.1 | Confident | 31 Ų | 31 | 92.1 Ų | 92.1 | 19% | 0.188 | 53% | 0.532 | C | S | . | . | trans | -85 | -60 | -174.8 | -172.5 | 0 | 0 | 0 | 0 | 110.4 | I145 L154 A156 L193 K197 | I145-V195 HydrophobicContact CG2-CG1 4.07Å; L154-V195 HydrophobicContact CB-CB 4.01Å; L154-V195 HydrophobicContact CB-CG2 4.48Å; L154-V195 PolarHBondContact O-N 2.9Å; A156-V195 HydrophobicContact CB-CG2 3.81Å; L193-V195 PolarHBondContact O-N 3.2Å; V195-K197 PolarHBondContact O-N 3.33Å; V195-K197 VanDerWaalsContact O-N 3.16Å | ||
| 196 | N | 80.3 | Confident | 74.3 | Confident | 32 Ų | 32 | 95.5 Ų | 95.5 | 17% | 0.171 | 56% | 0.561 | C | S | . | * | trans | -82.3 | 92.9 | 174.5 | -172.6 | 13.9 | 0 | 0 | 0 | 110.2 | D152 E198 | D152-N196 PolarHBondContact O-ND2 3.07Å; N196-E198 WeakPolarHBondContact ND2-CG 3.32Å; N196-E198 PolarHBondContact ND2-OE1 3.19Å; N196-E198 PolarHBondContact O-N 2.92Å; N196-E198 WeakPolarHBondContact OD1-CG 3.21Å | ||
| 197 | K | 63.9 | Low | 72.7 | Confident | 170 Ų | 170 | 91.7 Ų | 91.7 | 74% | 0.739 | 54% | 0.538 | S | S | * | . | trans | -90.9 | 72.7 | 174.7 | -169.6 | -162.8 | 173.7 | -176.3 | 0 | 110.6 | L194 V195 A199 | L194-K197 HydrophobicContact CD2-CB 4.39Å; L194-K197 HydrophobicContact CD2-CG 4.3Å; V195-K197 PolarHBondContact O-N 3.33Å; V195-K197 VanDerWaalsContact O-N 3.16Å; K197-A199 PolarHBondContact O-N 3.19Å | ||
| 198 | E | 56.2 | Low | 70.8 | Confident | 101 Ų | 101 | 91.8 Ų | 91.8 | 47% | 0.472 | 54% | 0.536 | S | S | . | . | trans | -62.5 | 128.7 | 172.9 | -61.2 | -154.9 | -170.6 | 0 | 0 | 110.8 | N196 W200 S201 | N196-E198 WeakPolarHBondContact ND2-CG 3.32Å; N196-E198 PolarHBondContact ND2-OE1 3.19Å; N196-E198 PolarHBondContact O-N 2.92Å; N196-E198 WeakPolarHBondContact OD1-CG 3.21Å; E198-W200 PolarHBondContact O-N 2.86Å; E198-S201 PolarHBondContact O-OG 3.16Å | ||
| 199 | A | 50.3 | Low | 68.6 | Low | 91 Ų | 91 | 96.6 Ų | 96.6 | 75% | 0.752 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | 3.1 | -164.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | K197 | K197-A199 PolarHBondContact O-N 3.19Š|
| 200 | W | 50.1 | Low | 66.1 | Low | 246 Ų | 246 | 96.3 Ų | 96.3 | 93% | 0.932 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.1 | -10.5 | -170.6 | -58.1 | -25.9 | 0 | 0 | 0 | 114.5 | E198 | E198-W200 PolarHBondContact O-N 2.86Š|
| 201 | S | 50.2 | Low | 63.9 | Low | 83 Ų | 83 | 97.6 Ų | 97.6 | 58% | 0.58 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -79.5 | 145.3 | 169.8 | 56.4 | 0 | 0 | 0 | 0 | 111.3 | E198 | E198-S201 PolarHBondContact O-OG 3.16Š|
| 202 | S | 47.4 | Very low | 61.9 | Low | 72 Ų | 72 | 96.7 Ų | 96.7 | 50% | 0.503 | 57% | 0.571 | S | S | . | * | P | Polyproline II helix | trans | -56.4 | 144.2 | 176.7 | 53 | 0 | 0 | 0 | 0 | 112 | ||
| 203 | P | 49.9 | Very low | 59.9 | Low | 110 Ų | 110 | 98.2 Ų | 98.2 | 71% | 0.714 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 139.5 | -176.4 | 24.6 | -34.7 | 0 | 0 | 0 | 111.7 | V205 | P203-V205 PolarHBondContact O-N 2.94Š|
| 204 | P | 54.8 | Low | 58.2 | Low | 106 Ų | 106 | 101.8 Ų | 101.8 | 69% | 0.688 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 123.6 | -176.5 | 25.3 | -34 | 0 | 0 | 0 | 110.9 | A206 | P204-A206 PolarHBondContact O-N 2.96Š|
| 205 | V | 56.8 | Low | 56.3 | Low | 124 Ų | 124 | 102.8 Ų | 102.8 | 75% | 0.752 | 60% | 0.598 | S | S | * | * | trans | -81.6 | 87.5 | -177.3 | -173 | 0 | 0 | 0 | 0 | 109.7 | P203 V207 | P203-V205 PolarHBondContact O-N 2.94Å; V205-V207 HydrophobicContact CG1-CG2 3.79Å; V205-V207 PolarHBondContact O-N 3.31Å; V205-V207 VanDerWaalsContact O-N 3.14Å | ||
| 206 | A | 58.2 | Low | 54.5 | Low | 99 Ų | 99 | 104.3 Ų | 104.3 | 82% | 0.818 | 60% | 0.604 | S | S | * | * | trans | -74.6 | 96.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | P204 | P204-A206 PolarHBondContact O-N 2.96Š| ||
| 207 | V | 60.9 | Low | 52.8 | Low | 55 Ų | 55 | 108.7 Ų | 108.7 | 33% | 0.333 | 62% | 0.624 | S | S | . | * | P | Polyproline II helix | trans | -91.8 | 128.2 | 172.3 | -164.9 | 0 | 0 | 0 | 0 | 109.2 | V205 P211 L215 | V205-V207 HydrophobicContact CG1-CG2 3.79Å; V205-V207 PolarHBondContact O-N 3.31Å; V205-V207 VanDerWaalsContact O-N 3.14Å; V207-P211 HydrophobicContact CG1-CB 3.97Å; V207-P211 HydrophobicContact CG1-CG 4.35Å; V207-L215 HydrophobicContact CG1-CD1 4.04Å; V207-L215 HydrophobicContact CG2-CD1 4.2Å |
| 208 | P | 53.3 | Low | 51.5 | Low | 97 Ų | 97 | 106.8 Ų | 106.8 | 63% | 0.63 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -58 | 141.1 | 167.6 | -22.7 | 34.1 | 0 | 0 | 0 | 110.8 | P210 P211 | P208-P210 CarbonylContact O-C 3.26Å; P208-P211 WeakPolarHBondContact O-CA 3.28Å |
| 209 | V | 49.6 | Very low | 50.5 | Low | 133 Ų | 133 | 106.2 Ų | 106.2 | 81% | 0.806 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -102.3 | 128.5 | 173.2 | 179.9 | 0 | 0 | 0 | 0 | 108.5 | ||
| 210 | P | 42.9 | Very low | 49.9 | Very low | 114 Ų | 114 | 106.9 Ų | 106.9 | 74% | 0.74 | 62% | 0.624 | S | S | * | * | S | Bend | cis | -71.7 | 144 | -0.2 | 30.2 | -35.3 | 0 | 0 | 0 | 113.4 | P208 | P208-P210 CarbonylContact O-C 3.26Š|
| 211 | P | 51.4 | Low | 49.2 | Very low | 80 Ų | 80 | 99.5 Ų | 99.5 | 52% | 0.519 | 62% | 0.615 | S | S | . | * | P | Polyproline II helix | trans | -60.5 | 146.7 | 178.4 | -26.2 | 36.3 | 0 | 0 | 0 | 113.8 | V207 P208 | V207-P211 HydrophobicContact CG1-CB 3.97Å; V207-P211 HydrophobicContact CG1-CG 4.35Å; P208-P211 WeakPolarHBondContact O-CA 3.28Å |
| 212 | P | 53.6 | Low | 48.5 | Very low | 65 Ų | 65 | 102.3 Ų | 102.3 | 42% | 0.422 | 63% | 0.628 | S | S | . | * | P | Polyproline II helix | trans | -72.4 | 140.8 | 175.9 | 28.4 | -32.1 | 0 | 0 | 0 | 112.3 | D214 L215 | P212-D214 PolarHBondContact O-N 3.25Å; P212-D214 VanDerWaalsContact O-N 3.16Å; P212-L215 HydrophobicContact CG-CB 4.3Å; P212-L215 HydrophobicContact CG-CD1 4.45Å; P212-L215 PolarHBondContact O-N 3.32Å; P212-L215 VanDerWaalsContact O-N 3.15Å |
| 213 | E | 54.1 | Low | 47.8 | Very low | 105 Ų | 105 | 104.3 Ų | 104.3 | 49% | 0.491 | 64% | 0.642 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.1 | -22.7 | -172.1 | -57.7 | 179 | 107.1 | 0 | 0 | 113.5 | T278 S280 K281 | E213-T278 VanDerWaalsContact O-CG2 3.32Å; E213-T278 WeakPolarHBondContact O-CG2 3.4Å; E213-S280 WeakPolarHBondContact OE1-CB 3.29Å; E213-S280 PolarHBondContact OE1-OG 2.86Å; E213-K281 IonicContact OE1-NZ 2.67Å; E213-K281 PolarHBondContact OE1-NZ 3.37Å; E213-K281 IonicContact OE2-NZ 3.82Å; E213-K281 PolarHBondContact OE2-NZ 3.02Å |
| 214 | D | 56.4 | Low | 47.1 | Very low | 155 Ų | 155 | 105.1 Ų | 105.1 | 83% | 0.829 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | -22.5 | 176.5 | -79.1 | -43.9 | 0 | 0 | 0 | 114.8 | P212 L216 | P212-D214 PolarHBondContact O-N 3.25Å; P212-D214 VanDerWaalsContact O-N 3.16Å; D214-L216 PolarHBondContact O-N 2.67Å |
| 215 | L | 52.4 | Low | 46.2 | Very low | 90 Ų | 90 | 105.5 Ų | 105.5 | 47% | 0.471 | 65% | 0.648 | S | S | . | * | S | Bend | trans | -77.2 | 28 | -164.7 | -134.3 | -172.9 | 0 | 0 | 0 | 113.4 | V207 P212 P276 | V207-L215 HydrophobicContact CG1-CD1 4.04Å; V207-L215 HydrophobicContact CG2-CD1 4.2Å; P212-L215 HydrophobicContact CG-CB 4.3Å; P212-L215 HydrophobicContact CG-CD1 4.45Å; P212-L215 PolarHBondContact O-N 3.32Å; P212-L215 VanDerWaalsContact O-N 3.15Å; L215-P276 WeakPolarHBondContact O-CB 3.12Å; L215-P276 WeakPolarHBondContact O-CG 3.16Å |
| 216 | L | 50.7 | Low | 45.4 | Very low | 62 Ų | 62 | 105 Ų | 105 | 33% | 0.325 | 65% | 0.647 | S | S | . | * | S | Bend | trans | -146.1 | -57.8 | -154.4 | -68.4 | 174.6 | 0 | 0 | 0 | 111 | D214 N218 P276 G277 T278 | D214-L216 PolarHBondContact O-N 2.67Å; L216-N218 PolarHBondContact O-N 3.44Å; L216-P276 HydrophobicContact CD2-CB 4.29Å; L216-P276 CarbonylContact O-C 3.51Å; L216-P276 VanDerWaalsContact O-CD 3.27Å; L216-P276 WeakPolarHBondContact O-CD 3.47Å; L216-P276 WeakPolarHBondContact O-CG 3.41Å; L216-G277 VanDerWaalsContact C-C 3.41Å; L216-G277 CarbonylContact C-O 3.44Å; L216-G277 VanDerWaalsContact CA-N 3.27Å; L216-G277 CarbonylContact O-C 3.58Å; L216-G277 VanDerWaalsContact O-C 3.26Å; L216-G277 WeakPolarHBondContact O-CA 3.25Å; L216-G277 PolarHBondContact O-N 3.48Å; L216-T278 HydrophobicContact CB-CG2 3.63Å; L216-T278 WeakPolarHBondContact CB-OG1 3.25Å; L216-T278 HydrophobicContact CD1-CG2 3.5Å; L216-T278 VanDerWaalsContact CD1-CG2 3.5Å; L216-T278 HydrophobicContact CG-CG2 4.18Å |
| 217 | Q | 45.7 | Very low | 44.3 | Very low | 124 Ų | 124 | 106.3 Ų | 106.3 | 58% | 0.579 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -67.6 | 8.8 | -159.3 | -140.4 | -172.8 | 71.6 | 0 | 0 | 119 | T278 D279 | Q217-T278 VanDerWaalsContact CA-OG1 3.28Å; Q217-T278 WeakPolarHBondContact CA-OG1 3.35Å; Q217-T278 VanDerWaalsContact CB-OG1 3.26Å; Q217-T278 WeakPolarHBondContact CB-OG1 3.29Å; Q217-T278 PolarHBondContact N-OG1 3.21Å; Q217-D279 PolarHBondContact NE2-OD2 3.01Å |
| 218 | N | 36.2 | Very low | 43.2 | Very low | 130 Ų | 130 | 111.6 Ų | 111.6 | 70% | 0.695 | 67% | 0.673 | S | S | * | * | trans | -158.2 | 107.9 | -178.6 | -97 | -67.8 | 0 | 0 | 0 | 114.6 | L216 P276 | L216-N218 PolarHBondContact O-N 3.44Å; N218-P276 WeakPolarHBondContact O-CD 3.21Å | ||
| 219 | P | 35.7 | Very low | 42.5 | Very low | 89 Ų | 89 | 112.7 Ų | 112.7 | 58% | 0.578 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 125.6 | 167.1 | 29 | -33 | 0 | 0 | 0 | 111.5 | A221 G275 | P219-A221 PolarHBondContact O-N 2.95Å; P219-G275 WeakPolarHBondContact CA-O 3.2Å |
| 220 | P | 38 | Very low | 41.7 | Very low | 106 Ų | 106 | 116 Ų | 116 | 69% | 0.688 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 128.5 | -176.6 | 28.9 | -33.6 | 0 | 0 | 0 | 111.9 | G275 | P220-G275 WeakPolarHBondContact CD-O 3.14Š|
| 221 | A | 34.6 | Very low | 41.2 | Very low | 91 Ų | 91 | 116.8 Ų | 116.8 | 75% | 0.752 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 133.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | P219 S223 | P219-A221 PolarHBondContact O-N 2.95Å; A221-S223 PolarHBondContact O-N 3.08Å |
| 222 | V | 35.7 | Very low | 40 | Very low | 142 Ų | 142 | 117.3 Ų | 117.3 | 86% | 0.861 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 123.7 | 176.8 | 178.5 | 0 | 0 | 0 | 0 | 110.6 | ||
| 223 | S | 32.9 | Very low | 38.9 | Very low | 114 Ų | 114 | 121.5 Ų | 121.5 | 80% | 0.797 | 72% | 0.717 | S | S | * | * | trans | -102.7 | 104.7 | -179.8 | -67.2 | 0 | 0 | 0 | 0 | 111.4 | A221 | A221-S223 PolarHBondContact O-N 3.08Š| ||
| 224 | T | 34.5 | Very low | 37.7 | Very low | 127 Ų | 127 | 121.5 Ų | 121.5 | 78% | 0.779 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 134 | -179.7 | -30.2 | 0 | 0 | 0 | 0 | 112.3 | ||
| 225 | P | 36.8 | Very low | 36.4 | Very low | 113 Ų | 113 | 122.5 Ų | 122.5 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -77 | 148.8 | 175.6 | 30.9 | -35 | 0 | 0 | 0 | 112.9 | ||
| 226 | P | 38.8 | Very low | 35.2 | Very low | 114 Ų | 114 | 124 Ų | 124 | 74% | 0.74 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 153.5 | 179 | 34 | -35.5 | 0 | 0 | 0 | 113.5 | ||
| 227 | P | 36.5 | Very low | 34.2 | Very low | 127 Ų | 127 | 130 Ų | 130 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -83 | 147.7 | -177.6 | 33 | -35.7 | 0 | 0 | 0 | 114.1 | ||
| 228 | L | 37 | Very low | 33.4 | Very low | 166 Ų | 166 | 128.5 Ų | 128.5 | 87% | 0.869 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 148.4 | 172.4 | -82.6 | 90 | 0 | 0 | 0 | 113.2 | ||
| 229 | P | 38.2 | Very low | 33 | Very low | 119 Ų | 119 | 130.9 Ų | 130.9 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -84 | 154.3 | 176.8 | 34.3 | -35.5 | 0 | 0 | 0 | 113.9 | ||
| 230 | K | 33.4 | Very low | 32.5 | Very low | 204 Ų | 204 | 135.6 Ų | 135.6 | 89% | 0.887 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 144.8 | 173.2 | -62.6 | 172.9 | 178.9 | 173.9 | 0 | 112.1 | ||
| 231 | P | 32.6 | Very low | 31.9 | Very low | 130 Ų | 130 | 134.5 Ų | 134.5 | 84% | 0.844 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -103.3 | 166 | 146 | 11.5 | 8.6 | 0 | 0 | 0 | 111.1 | ||
| 232 | A | 27 | Very low | 31.5 | Very low | 90 Ų | 90 | 136.4 Ų | 136.4 | 74% | 0.744 | 81% | 0.812 | S | S | * | * | trans | -139.2 | 148.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 233 | L | 28.7 | Very low | 31.1 | Very low | 153 Ų | 153 | 141.1 Ų | 141.1 | 80% | 0.801 | 81% | 0.814 | S | S | * | * | trans | 50.1 | 112.7 | 152.9 | -78.5 | 160.4 | 0 | 0 | 0 | 120.3 | Q235 | L233-Q235 HydrophobicContact CD2-CG 4.3Š| ||
| 234 | A | 28.7 | Very low | 31.6 | Very low | 106 Ų | 106 | 140.8 Ų | 140.8 | 88% | 0.876 | 81% | 0.809 | S | S | * | * | trans | -141.1 | 148 | 134.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 235 | Q | 29.2 | Very low | 31.1 | Very low | 175 Ų | 175 | 142.4 Ų | 142.4 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -124.8 | 145.3 | -176.9 | -66.3 | 176.7 | -39.7 | 0 | 0 | 111.3 | L233 | L233-Q235 HydrophobicContact CD2-CG 4.3Š| ||
| 236 | S | 28.9 | Very low | 30.7 | Very low | 122 Ų | 122 | 142.1 Ų | 142.1 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | trans | -157.8 | 158.6 | 158.2 | 49.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 237 | Q | 28.9 | Very low | 31 | Very low | 187 Ų | 187 | 141.8 Ų | 141.8 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | trans | -98.6 | 178.8 | -173.4 | -58.3 | 148.9 | -11.7 | 0 | 0 | 109.4 | ||||
| 238 | S | 27.9 | Very low | 30.5 | Very low | 93 Ų | 93 | 143.6 Ų | 143.6 | 65% | 0.65 | 81% | 0.809 | S | S | * | * | cis | -167.5 | 160.1 | 13 | -0.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 239 | Q | 28.9 | Very low | 30 | Very low | 180 Ų | 180 | 142.5 Ų | 142.5 | 84% | 0.841 | 80% | 0.803 | S | S | * | * | trans | 47.4 | 108.8 | 144.9 | -65 | 177.7 | -59.5 | 0 | 0 | 123.1 | ||||
| 240 | E | 24.1 | Very low | 29.3 | Very low | 189 Ų | 189 | 142.9 Ų | 142.9 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | 57.3 | 145.6 | 112 | -144.7 | 171.4 | 129.1 | 0 | 0 | 124.8 | |||||
| 241 | A | 26.5 | Very low | 29.6 | Very low | 83 Ų | 83 | 139 Ų | 139 | 69% | 0.686 | 80% | 0.799 | S | S | * | * | trans | 80.8 | 104.9 | 155.4 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 242 | S | 27 | Very low | 29.5 | Very low | 130 Ų | 130 | 138.6 Ų | 138.6 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | 172.7 | 159.4 | 113.3 | -77.8 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 243 | R | 25.8 | Very low | 30.2 | Very low | 241 Ų | 241 | 139.7 Ų | 139.7 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | trans | -112 | -178.6 | 177.8 | -94.1 | -178 | 172.9 | -173.5 | -1.6 | 109.9 | ||||
| 244 | P | 44.1 | Very low | 30.6 | Very low | 108 Ų | 108 | 138.3 Ų | 138.3 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | cis | -135.8 | 178.9 | -38.6 | 38.7 | -23.2 | 0 | 0 | 0 | 113 | ||||
| 245 | N | 24.9 | Very low | 31.3 | Very low | 160 Ų | 160 | 139.1 Ų | 139.1 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | trans | -170.4 | 165 | 133 | -111.1 | -10.8 | 0 | 0 | 0 | 115.1 | ||||
| 246 | S | 26.6 | Very low | 31.1 | Very low | 107 Ų | 107 | 134 Ų | 134 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | -163.3 | -176.1 | 178.5 | -125.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 247 | P | 45 | Very low | 31.2 | Very low | 107 Ų | 107 | 134 Ų | 134 | 70% | 0.695 | 78% | 0.783 | S | S | * | * | cis | -94.5 | -147.5 | 2.5 | 37.2 | -24.7 | 0 | 0 | 0 | 110.9 | ||||
| 248 | Q | 26.7 | Very low | 31.2 | Very low | 165 Ų | 165 | 130.1 Ų | 130.1 | 77% | 0.771 | 78% | 0.782 | S | S | * | * | cis | -157.2 | 166.5 | 11.7 | -138.3 | 171.1 | -21.6 | 0 | 0 | 106.6 | ||||
| 249 | L | 26.2 | Very low | 31 | Very low | 143 Ų | 143 | 134 Ų | 134 | 75% | 0.749 | 79% | 0.79 | S | S | * | * | cis | -142.6 | -177 | 28.3 | -99 | 165.5 | 0 | 0 | 0 | 112.7 | ||||
| 250 | T | 24.1 | Very low | 31 | Very low | 127 Ų | 127 | 130.4 Ų | 130.4 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | trans | -140 | 175.5 | 177.3 | 29.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 251 | P | 40.3 | Very low | 31.1 | Very low | 122 Ų | 122 | 131 Ų | 131 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | cis | -136.9 | 166.5 | 14 | 41.2 | -23 | 0 | 0 | 0 | 118.8 | ||||
| 252 | T | 29.7 | Very low | 31.1 | Very low | 122 Ų | 122 | 130.3 Ų | 130.3 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | trans | -100.5 | 163.5 | 156.4 | 26.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 253 | P | 42.4 | Very low | 31.1 | Very low | 114 Ų | 114 | 133.3 Ų | 133.3 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | -138.9 | 128.5 | 119.3 | 20.7 | -0.7 | 0 | 0 | 0 | 112.8 | |||||
| 254 | V | 35.9 | Very low | 31.3 | Very low | 123 Ų | 123 | 126.5 Ų | 126.5 | 75% | 0.745 | 78% | 0.781 | S | S | * | * | 72 | 158.6 | 63.3 | -56.2 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 255 | P | 44.7 | Very low | 30.5 | Very low | 124 Ų | 124 | 124.6 Ų | 124.6 | 81% | 0.805 | 78% | 0.782 | S | S | * | * | cis | -136.9 | 179.6 | -12.2 | 26.9 | -3.3 | 0 | 0 | 0 | 116.6 | ||||
| 256 | G | 25.1 | Very low | 31.1 | Very low | 68 Ų | 68 | 123.1 Ų | 123.1 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | trans | 144.8 | 99 | 155.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 257 | S | 29.7 | Very low | 31.1 | Very low | 122 Ų | 122 | 122.8 Ų | 122.8 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | 78.9 | 129.9 | 57.9 | -60.2 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 258 | A | 29.2 | Very low | 30.4 | Very low | 104 Ų | 104 | 121.9 Ų | 121.9 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | cis | -160.9 | -177 | -3.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 259 | E | 24.4 | Very low | 30.3 | Very low | 174 Ų | 174 | 122.5 Ų | 122.5 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | trans | -124.9 | 167.5 | -171.8 | -139.8 | -171.4 | 126 | 0 | 0 | 109.3 | ||||
| 260 | V | 28.3 | Very low | 30.3 | Very low | 106 Ų | 106 | 122.3 Ų | 122.3 | 64% | 0.642 | 79% | 0.787 | S | S | * | * | cis | -155.3 | 157.3 | 16.3 | -157 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 261 | Q | 27.7 | Very low | 30.3 | Very low | 200 Ų | 200 | 122.4 Ų | 122.4 | 94% | 0.935 | 79% | 0.787 | S | S | * | * | trans | 160.1 | 141.2 | 138.5 | -88.2 | 158.9 | 16.2 | 0 | 0 | 112.9 | ||||
| 262 | G | 26.2 | Very low | 29.6 | Very low | 69 Ų | 69 | 122.2 Ų | 122.2 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | cis | 167.6 | 156.3 | -14.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 263 | M | 26.8 | Very low | 29.4 | Very low | 194 Ų | 194 | 120.9 Ų | 120.9 | 96% | 0.956 | 78% | 0.78 | S | S | * | * | trans | 83.3 | 145.5 | 157.3 | -152.7 | 55.9 | 167.7 | 0 | 0 | 121.1 | ||||
| 264 | A | 28.5 | Very low | 28.6 | Very low | 97 Ų | 97 | 118.9 Ų | 118.9 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | trans | 75.2 | 131.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 265 | G | 27.3 | Very low | 28.1 | Very low | 69 Ų | 69 | 115.3 Ų | 115.3 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | trans | -137 | -153.4 | 159.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 266 | P | 38 | Very low | 27.9 | Very low | 128 Ų | 128 | 112 Ų | 112 | 83% | 0.831 | 75% | 0.746 | S | S | * | * | cis | -133.3 | -171.8 | 1.9 | 43.5 | -27.4 | 0 | 0 | 0 | 114.5 | ||||
| 267 | A | 27.2 | Very low | 28.2 | Very low | 100 Ų | 100 | 111 Ų | 111 | 83% | 0.826 | 74% | 0.735 | S | S | * | * | trans | 69.2 | 147.1 | 164.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 268 | A | 30.1 | Very low | 28.6 | Very low | 88 Ų | 88 | 107.7 Ų | 107.7 | 73% | 0.727 | 71% | 0.71 | S | S | * | * | cis | -152.6 | 133.2 | -15.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 269 | E | 23.8 | Very low | 28.7 | Very low | 178 Ų | 178 | 108.2 Ų | 108.2 | 83% | 0.832 | 70% | 0.699 | S | S | * | * | 62.2 | 85.1 | 99.8 | -150.3 | 167.8 | 165.1 | 0 | 0 | 114 | |||||
| 270 | I | 27.1 | Very low | 29.4 | Very low | 140 Ų | 140 | 102.6 Ų | 102.6 | 72% | 0.718 | 68% | 0.679 | S | S | * | * | 96.7 | 137.7 | 77.9 | -77.7 | 171.5 | 0 | 0 | 0 | 113.8 | |||||
| 271 | T | 24.8 | Very low | 29.9 | Very low | 128 Ų | 128 | 105.3 Ų | 105.3 | 79% | 0.785 | 68% | 0.682 | S | S | * | * | trans | 66.2 | 160.4 | 162.1 | 53.5 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 272 | V | 24.7 | Very low | 30.2 | Very low | 119 Ų | 119 | 102.6 Ų | 102.6 | 72% | 0.721 | 67% | 0.674 | S | S | * | * | cis | -167.7 | 160.1 | -42.7 | 94 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 273 | S | 26 | Very low | 30.6 | Very low | 94 Ų | 94 | 104 Ų | 104 | 66% | 0.657 | 67% | 0.673 | S | S | * | * | trans | 16.7 | 140.6 | 161 | -50.7 | 0 | 0 | 0 | 0 | 124 | ||||
| 274 | G | 24.7 | Very low | 30.8 | Very low | 72 Ų | 72 | 98.5 Ų | 98.5 | 74% | 0.742 | 67% | 0.666 | S | S | * | * | trans | 157.2 | 116.5 | 147.1 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 275 | G | 26.8 | Very low | 30.9 | Very low | 48 Ų | 48 | 102.1 Ų | 102.1 | 50% | 0.495 | 67% | 0.666 | S | S | . | * | trans | -95.3 | -157.2 | 162.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | P219 P220 | P219-G275 WeakPolarHBondContact CA-O 3.2Å; P220-G275 WeakPolarHBondContact CD-O 3.14Å | ||
| 276 | P | 40.6 | Very low | 31 | Very low | 55 Ų | 55 | 105.1 Ų | 105.1 | 36% | 0.357 | 67% | 0.665 | S | S | . | * | cis | -144.6 | -150.3 | 13.3 | 37.4 | -11.5 | 0 | 0 | 0 | 117.4 | L215 L216 N218 | L215-P276 WeakPolarHBondContact O-CB 3.12Å; L215-P276 WeakPolarHBondContact O-CG 3.16Å; L216-P276 HydrophobicContact CD2-CB 4.29Å; L216-P276 CarbonylContact O-C 3.51Å; L216-P276 VanDerWaalsContact O-CD 3.27Å; L216-P276 WeakPolarHBondContact O-CD 3.47Å; L216-P276 WeakPolarHBondContact O-CG 3.41Å; N218-P276 WeakPolarHBondContact O-CD 3.21Å | ||
| 277 | G | 30.3 | Very low | 30.5 | Very low | 45 Ų | 45 | 104 Ų | 104 | 46% | 0.464 | 66% | 0.66 | S | S | . | * | trans | -73.4 | -137.1 | -168.3 | 0 | 0 | 0 | 0 | 0 | 123.3 | L216 | L216-G277 VanDerWaalsContact C-C 3.41Å; L216-G277 CarbonylContact C-O 3.44Å; L216-G277 VanDerWaalsContact CA-N 3.27Å; L216-G277 CarbonylContact O-C 3.58Å; L216-G277 VanDerWaalsContact O-C 3.26Å; L216-G277 WeakPolarHBondContact O-CA 3.25Å; L216-G277 PolarHBondContact O-N 3.48Å | ||
| 278 | T | 38.3 | Very low | 30.6 | Very low | 53 Ų | 53 | 105.1 Ų | 105.1 | 33% | 0.325 | 66% | 0.662 | S | S | . | * | cis | -117.3 | -133.2 | 22.4 | -32.1 | 0 | 0 | 0 | 0 | 115.6 | E213 L216 Q217 | E213-T278 VanDerWaalsContact O-CG2 3.32Å; E213-T278 WeakPolarHBondContact O-CG2 3.4Å; L216-T278 HydrophobicContact CB-CG2 3.63Å; L216-T278 WeakPolarHBondContact CB-OG1 3.25Å; L216-T278 HydrophobicContact CD1-CG2 3.5Å; L216-T278 VanDerWaalsContact CD1-CG2 3.5Å; L216-T278 HydrophobicContact CG-CG2 4.18Å; Q217-T278 VanDerWaalsContact CA-OG1 3.28Å; Q217-T278 WeakPolarHBondContact CA-OG1 3.35Å; Q217-T278 VanDerWaalsContact CB-OG1 3.26Å; Q217-T278 WeakPolarHBondContact CB-OG1 3.29Å; Q217-T278 PolarHBondContact N-OG1 3.21Å | ||
| 279 | D | 32.1 | Very low | 30.2 | Very low | 116 Ų | 116 | 109 Ų | 109 | 62% | 0.62 | 67% | 0.669 | S | S | * | * | cis | -153.2 | -175.2 | 12.6 | -139.4 | -73.2 | 0 | 0 | 0 | 115.1 | Q217 | Q217-D279 PolarHBondContact NE2-OD2 3.01Š| ||
| 280 | S | 37.5 | Very low | 31.4 | Very low | 56 Ų | 56 | 105.8 Ų | 105.8 | 39% | 0.392 | 66% | 0.664 | S | S | . | * | trans | -133.4 | 170.2 | -153.9 | -54.4 | 0 | 0 | 0 | 0 | 119.5 | E213 | E213-S280 WeakPolarHBondContact OE1-CB 3.29Å; E213-S280 PolarHBondContact OE1-OG 2.86Å | ||
| 281 | K | 38.9 | Very low | 31.3 | Very low | 162 Ų | 162 | 107.7 Ų | 107.7 | 70% | 0.704 | 68% | 0.675 | S | S | * | * | trans | 71.8 | 162.1 | 153.8 | -75 | -175.8 | -177 | 80 | 0 | 119.9 | E213 | E213-K281 IonicContact OE1-NZ 2.67Å; E213-K281 PolarHBondContact OE1-NZ 3.37Å; E213-K281 IonicContact OE2-NZ 3.82Å; E213-K281 PolarHBondContact OE2-NZ 3.02Å | ||
| 282 | D | 34.7 | Very low | 31.3 | Very low | 144 Ų | 144 | 104.5 Ų | 104.5 | 77% | 0.77 | 67% | 0.667 | S | S | * | * | cis | -169.5 | -172.1 | -24.5 | -165.6 | 36.9 | 0 | 0 | 0 | 107.4 | ||||
| 283 | S | 35.5 | Very low | 32.1 | Very low | 99 Ų | 99 | 104.5 Ų | 104.5 | 69% | 0.692 | 67% | 0.67 | S | S | * | * | cis | -162.9 | 161.4 | 12.1 | -49.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 284 | G | 29.5 | Very low | 32.3 | Very low | 78 Ų | 78 | 107.1 Ų | 107.1 | 80% | 0.804 | 68% | 0.682 | S | S | * | * | trans | 89.1 | 165.1 | 148.6 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 285 | E | 31.3 | Very low | 32.4 | Very low | 172 Ų | 172 | 108 Ų | 108 | 80% | 0.804 | 68% | 0.682 | S | S | * | * | cis | -169.5 | 164.5 | -17.1 | -136.6 | -162.3 | 139.7 | 0 | 0 | 115.1 | ||||
| 286 | L | 29.3 | Very low | 32.5 | Very low | 133 Ų | 133 | 114.3 Ų | 114.3 | 70% | 0.696 | 70% | 0.704 | S | S | * | * | trans | 73.4 | 108.9 | 153.2 | -63.2 | 172.6 | 0 | 0 | 0 | 127.7 | ||||
| 287 | S | 27.6 | Very low | 31.9 | Very low | 103 Ų | 103 | 118.5 Ų | 118.5 | 72% | 0.72 | 72% | 0.723 | S | S | * | * | 52.6 | 127 | 116.5 | -56.2 | 0 | 0 | 0 | 0 | 127.1 | |||||
| 288 | S | 28.3 | Very low | 32 | Very low | 125 Ų | 125 | 122.4 Ų | 122.4 | 87% | 0.874 | 74% | 0.738 | S | S | * | * | 174.1 | 173.4 | 126.1 | 47.2 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 289 | L | 23.4 | Very low | 31.6 | Very low | 169 Ų | 169 | 131.3 Ų | 131.3 | 89% | 0.885 | 77% | 0.766 | S | S | * | * | trans | -148.7 | 177.5 | -172.3 | -77 | 175.3 | 0 | 0 | 0 | 109.9 | ||||
| 290 | P | 47.2 | Very low | 32 | Very low | 110 Ų | 110 | 130.9 Ų | 130.9 | 71% | 0.714 | 77% | 0.769 | S | S | * | * | cis | -130.6 | 179.2 | -42.5 | 39.4 | -24.9 | 0 | 0 | 0 | 112.4 | ||||
| 291 | L | 26.5 | Very low | 31.4 | Very low | 181 Ų | 181 | 136.7 Ų | 136.7 | 95% | 0.948 | 80% | 0.795 | S | S | * | * | trans | -177.4 | 160 | 145.5 | -104.6 | 165 | 0 | 0 | 0 | 112.5 | ||||
| 292 | G | 23.7 | Very low | 30.9 | Very low | 61 Ų | 61 | 137.5 Ų | 137.5 | 63% | 0.629 | 80% | 0.801 | S | S | * | * | trans | -156.9 | -163.6 | 171 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 293 | P | 42.8 | Very low | 30.5 | Very low | 118 Ų | 118 | 136.3 Ų | 136.3 | 77% | 0.766 | 80% | 0.804 | S | S | * | * | cis | -132.6 | 174.5 | -1.4 | 42.6 | -28.2 | 0 | 0 | 0 | 114.3 | ||||
| 294 | T | 29.1 | Very low | 30.3 | Very low | 150 Ų | 150 | 136.7 Ų | 136.7 | 92% | 0.92 | 81% | 0.807 | S | S | * | * | -171.2 | 160.5 | 127.3 | 14.7 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 295 | A | 26.6 | Very low | 30.2 | Very low | 89 Ų | 89 | 137.5 Ų | 137.5 | 74% | 0.736 | 81% | 0.806 | S | S | * | * | trans | -85.3 | 155.7 | -164.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 296 | L | 29.3 | Very low | 30 | Very low | 182 Ų | 182 | 136.9 Ų | 136.9 | 95% | 0.953 | 81% | 0.807 | S | S | * | * | -156.3 | 166.4 | 101.6 | -98.1 | 169.7 | 0 | 0 | 0 | 110.9 | |||||
| 297 | D | 27.4 | Very low | 30.1 | Very low | 142 Ų | 142 | 138.1 Ų | 138.1 | 76% | 0.759 | 81% | 0.814 | S | S | * | * | trans | -113.6 | 176.1 | -156.9 | -162.2 | -2.2 | 0 | 0 | 0 | 113.3 | ||||
| 298 | T | 32.5 | Very low | 29.9 | Very low | 128 Ų | 128 | 140.2 Ų | 140.2 | 79% | 0.785 | 82% | 0.817 | S | S | * | * | trans | 118.2 | 82.8 | 162.2 | 63.3 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 299 | R | 29.9 | Very low | 30 | Very low | 240 Ų | 240 | 138.3 Ų | 138.3 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | trans | -164.1 | 168 | 147.1 | -79.7 | -149.3 | 175.9 | 179.4 | -1 | 109.8 | ||||
| 300 | P | 40.9 | Very low | 30.2 | Very low | 107 Ų | 107 | 135.5 Ų | 135.5 | 70% | 0.695 | 80% | 0.798 | S | S | * | * | cis | -122.4 | -172.7 | -48.6 | 38.8 | -24.8 | 0 | 0 | 0 | 110.2 | ||||
| 301 | L | 24.9 | Very low | 29.4 | Very low | 178 Ų | 178 | 135.4 Ų | 135.4 | 93% | 0.932 | 80% | 0.8 | S | S | * | * | trans | -128 | 122.9 | 166.6 | -76 | 176.7 | 0 | 0 | 0 | 112.6 | ||||
| 302 | Q | 29 | Very low | 29.5 | Very low | 179 Ų | 179 | 132 Ų | 132 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | trans | -115.7 | 132.7 | 161 | -64 | 176.9 | -88.2 | 0 | 0 | 108.5 | ||||
| 303 | S | 26.3 | Very low | 29.8 | Very low | 118 Ų | 118 | 134.5 Ų | 134.5 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | 179.7 | 141.7 | 151.6 | -82.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 304 | S | 30.9 | Very low | 29.2 | Very low | 108 Ų | 108 | 133.8 Ų | 133.8 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | cis | 112 | 115.4 | 17.9 | -74.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 305 | A | 28.1 | Very low | 29.3 | Very low | 95 Ų | 95 | 132 Ų | 132 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | 63.5 | 165.9 | 159.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 306 | L | 26.9 | Very low | 29.6 | Very low | 158 Ų | 158 | 132.3 Ų | 132.3 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | cis | -153 | 172.2 | -33.7 | -108 | 172.5 | 0 | 0 | 0 | 108.6 | ||||
| 307 | L | 30.8 | Very low | 29.7 | Very low | 159 Ų | 159 | 128.9 Ų | 128.9 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | -44 | 142.3 | 178.9 | -51.6 | 165.4 | 0 | 0 | 0 | 116 | ||||
| 308 | D | 24.2 | Very low | 30 | Very low | 148 Ų | 148 | 127.3 Ų | 127.3 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | -160 | 142.1 | 123.9 | -153.8 | 22.7 | 0 | 0 | 0 | 116.9 | |||||
| 309 | S | 29.5 | Very low | 30.1 | Very low | 85 Ų | 85 | 126 Ų | 126 | 59% | 0.594 | 78% | 0.775 | S | S | * | * | trans | 12.6 | 127.9 | 149.5 | -62.5 | 0 | 0 | 0 | 0 | 126.7 | ||||
| 310 | S | 28.5 | Very low | 30.3 | Very low | 110 Ų | 110 | 120.1 Ų | 120.1 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | 79.5 | 153 | 116.8 | -60.1 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 311 | S | 29.7 | Very low | 30 | Very low | 107 Ų | 107 | 120 Ų | 120 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | trans | 95.7 | 82.2 | 154.2 | -46.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 312 | S | 29 | Very low | 30.4 | Very low | 111 Ų | 111 | 116.4 Ų | 116.4 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | trans | 18.1 | 133.5 | 133.5 | 59.8 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 313 | S | 30.1 | Very low | 30.7 | Very low | 113 Ų | 113 | 113.1 Ų | 113.1 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | -179.3 | 128.1 | 107.6 | 42.2 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 314 | S | 30.4 | Very low | 31.1 | Very low | 102 Ų | 102 | 112.4 Ų | 112.4 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | trans | 42.1 | 144.7 | 143.6 | 59.6 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 315 | S | 31.3 | Very low | 31.3 | Very low | 113 Ų | 113 | 112 Ų | 112 | 79% | 0.79 | 75% | 0.751 | S | S | * | * | trans | 76.7 | 143.2 | 151.1 | 71.2 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 316 | S | 31.9 | Very low | 31.6 | Very low | 96 Ų | 96 | 115.3 Ų | 115.3 | 67% | 0.671 | 76% | 0.755 | S | S | * | * | cis | -169.1 | 158.7 | -11.8 | 46.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 317 | S | 32.4 | Very low | 31.9 | Very low | 110 Ų | 110 | 112.8 Ų | 112.8 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | trans | 62 | 155.8 | 165.8 | 37 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 318 | S | 33.7 | Very low | 32 | Very low | 108 Ų | 108 | 111.1 Ų | 111.1 | 76% | 0.755 | 75% | 0.753 | S | S | * | * | cis | -171.2 | 164.1 | -11.6 | 45.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 319 | S | 33.4 | Very low | 32.3 | Very low | 101 Ų | 101 | 108.9 Ų | 108.9 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | cis | -173 | 167.1 | -20.7 | 51.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 320 | S | 34.2 | Very low | 32.4 | Very low | 116 Ų | 116 | 112 Ų | 112 | 81% | 0.811 | 76% | 0.758 | S | S | * | * | trans | 68.7 | 153.5 | 176.9 | 75.7 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 321 | S | 34.2 | Very low | 32.5 | Very low | 106 Ų | 106 | 111.8 Ų | 111.8 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | cis | -171 | 157.5 | -12.1 | 38 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 322 | S | 34.9 | Very low | 32.5 | Very low | 101 Ų | 101 | 109.9 Ų | 109.9 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | cis | -173.2 | 177.5 | -13.2 | 55.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 323 | S | 34.9 | Very low | 33 | Very low | 110 Ų | 110 | 110.6 Ų | 110.6 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | trans | 69 | 155 | 174.5 | 81.6 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 324 | S | 35 | Very low | 33.3 | Very low | 104 Ų | 104 | 112.4 Ų | 112.4 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | cis | -159.2 | 142.5 | -26.9 | -100.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 325 | S | 33.4 | Very low | 33.8 | Very low | 98 Ų | 98 | 113.9 Ų | 113.9 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | trans | 13.3 | 122.3 | 156.6 | 58.3 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 326 | N | 36.2 | Very low | 33.7 | Very low | 165 Ų | 165 | 113.4 Ų | 113.4 | 88% | 0.882 | 76% | 0.76 | S | S | * | * | -162.5 | 158.2 | 98 | -100.1 | -19.3 | 0 | 0 | 0 | 113.7 | |||||
| 327 | S | 32.4 | Very low | 33.6 | Very low | 106 Ų | 106 | 115.3 Ų | 115.3 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | trans | -105.1 | 150.3 | -178.2 | 53 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 328 | S | 33.1 | Very low | 33.2 | Very low | 124 Ų | 124 | 115.8 Ų | 115.8 | 87% | 0.867 | 77% | 0.771 | S | S | * | * | -176.2 | 160.9 | 119.5 | 34.5 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 329 | S | 29.6 | Very low | 33 | Very low | 100 Ų | 100 | 120.6 Ų | 120.6 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | trans | -130.3 | 156.6 | -175.6 | 49.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 330 | L | 32 | Very low | 32.9 | Very low | 152 Ų | 152 | 124 Ų | 124 | 80% | 0.796 | 78% | 0.783 | S | S | * | * | 157.6 | 137.4 | 125.5 | -85.6 | 151.3 | 0 | 0 | 0 | 113.7 | |||||
| 331 | S | 30.8 | Very low | 33 | Very low | 104 Ų | 104 | 122.9 Ų | 122.9 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | 61.8 | 124.4 | 140.3 | -56.1 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 332 | G | 28.8 | Very low | 32.6 | Very low | 67 Ų | 67 | 125.8 Ų | 125.8 | 69% | 0.691 | 78% | 0.779 | S | S | * | * | trans | -76.1 | -175.9 | 143.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 333 | P | 40 | Very low | 32.3 | Very low | 126 Ų | 126 | 130.1 Ų | 130.1 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | -147.4 | 174.6 | 77.9 | 40.4 | -23.9 | 0 | 0 | 0 | 116.1 | |||||
| 334 | N | 36.8 | Very low | 32.1 | Very low | 151 Ų | 151 | 129.3 Ų | 129.3 | 81% | 0.807 | 79% | 0.786 | S | S | * | * | trans | -78 | 162.7 | 169.1 | -58.6 | -2.8 | 0 | 0 | 0 | 111.4 | ||||
| 335 | P | 40.5 | Very low | 31.7 | Very low | 133 Ų | 133 | 131.7 Ų | 131.7 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | -143.5 | -170.7 | 104.1 | 38.7 | -23.3 | 0 | 0 | 0 | 114.5 | |||||
| 336 | S | 29.2 | Very low | 32.2 | Very low | 104 Ų | 104 | 132.2 Ų | 132.2 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | -108.6 | 150.2 | -153.8 | -44.9 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 337 | T | 31 | Very low | 32.1 | Very low | 136 Ų | 136 | 131.6 Ų | 131.6 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | trans | 45.5 | 124.7 | 139.1 | 56.8 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 338 | S | 22.9 | Very low | 32.2 | Very low | 120 Ų | 120 | 129.9 Ų | 129.9 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | trans | -160.8 | 152.6 | 134.5 | 48.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 339 | F | 29.5 | Very low | 32.4 | Very low | 209 Ų | 209 | 131 Ų | 131 | 92% | 0.917 | 79% | 0.794 | S | S | * | * | trans | -108.5 | 175.4 | 164.1 | -93.6 | -103.4 | 0 | 0 | 0 | 107.2 | ||||
| 340 | E | 31.3 | Very low | 33.1 | Very low | 171 Ų | 171 | 134 Ų | 134 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | cis | -156.6 | -145.7 | 34.5 | -152.7 | -155.9 | -176 | 0 | 0 | 112.2 | ||||
| 341 | P | 36.2 | Very low | 33.6 | Very low | 94 Ų | 94 | 135.7 Ų | 135.7 | 61% | 0.61 | 81% | 0.805 | S | S | * | * | -124.9 | 173.9 | -125.6 | 43.2 | -25.1 | 0 | 0 | 0 | 117 | |||||
| 342 | I | 27 | Very low | 34.2 | Very low | 167 Ų | 167 | 137.1 Ų | 137.1 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | trans | -136.7 | 106.1 | 156.5 | -60.7 | -175.7 | 0 | 0 | 0 | 111.9 | ||||
| 343 | K | 27.1 | Very low | 35.6 | Very low | 191 Ų | 191 | 137.4 Ų | 137.4 | 83% | 0.83 | 79% | 0.794 | S | S | * | * | trans | 47.5 | 123.9 | 138 | -159.8 | 173.3 | -176.5 | -174.9 | 0 | 121.2 | ||||
| 344 | A | 31.8 | Very low | 36.2 | Very low | 94 Ų | 94 | 139.7 Ų | 139.7 | 78% | 0.777 | 79% | 0.791 | S | S | * | * | trans | -91.4 | 164.6 | 163.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 345 | D | 25.4 | Very low | 36.9 | Very low | 153 Ų | 153 | 138.4 Ų | 138.4 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -144.8 | 133.2 | 163.2 | -156 | 27.2 | 0 | 0 | 0 | 108.7 | ||||
| 346 | P | 44.1 | Very low | 37.5 | Very low | 110 Ų | 110 | 134.5 Ų | 134.5 | 71% | 0.714 | 75% | 0.751 | S | S | * | * | trans | -105.8 | 136.5 | -166.9 | 37 | -31.2 | 0 | 0 | 0 | 114 | ||||
| 347 | T | 33.9 | Very low | 38.6 | Very low | 152 Ų | 152 | 133.6 Ų | 133.6 | 93% | 0.933 | 75% | 0.745 | S | S | * | * | trans | -155.2 | 133.1 | 162 | -53.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 348 | G | 34.9 | Very low | 39.7 | Very low | 70 Ų | 70 | 134.1 Ų | 134.1 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | trans | 99.3 | 37.5 | 161.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 349 | V | 37.8 | Very low | 41.1 | Very low | 147 Ų | 147 | 131.3 Ų | 131.3 | 89% | 0.891 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 125.5 | 153.3 | 179.6 | 0 | 0 | 0 | 0 | 107.4 | ||
| 350 | L | 43.2 | Very low | 41.9 | Very low | 162 Ų | 162 | 129.8 Ų | 129.8 | 85% | 0.848 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 129.9 | 175.3 | -66.1 | 171.3 | 0 | 0 | 0 | 109.5 | ||
| 351 | E | 42.4 | Very low | 42.8 | Very low | 188 Ų | 188 | 125.5 Ų | 125.5 | 88% | 0.879 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 128.9 | 178 | -167.8 | 170.3 | -169.4 | 0 | 0 | 109.9 | ||
| 352 | L | 43.8 | Very low | 43.1 | Very low | 134 Ų | 134 | 127 Ų | 127 | 70% | 0.702 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 133 | -179 | -133.4 | 82.5 | 0 | 0 | 0 | 110 | L356 | L352-L356 HydrophobicContact CD2-CB 4.46Å; L352-L356 HydrophobicContact CD2-CD1 4.05Å; L352-L356 HydrophobicContact CG-CD1 4.29Å |
| 353 | P | 58.3 | Low | 43.9 | Very low | 74 Ų | 74 | 121.2 Ų | 121.2 | 48% | 0.481 | 67% | 0.671 | S | S | . | * | P | Polyproline II helix | trans | -60.9 | 142.2 | 174.4 | -23.5 | 34.2 | 0 | 0 | 0 | 112.5 | E355 L356 | P353-E355 WeakPolarHBondContact CB-OE2 3.36Å; P353-E355 PolarHBondContact O-N 3.17Å; P353-L356 PolarHBondContact O-N 3.34Å |
| 354 | K | 52.3 | Low | 45.4 | Very low | 174 Ų | 174 | 121.9 Ų | 121.9 | 76% | 0.757 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -68.1 | -19.2 | -175.2 | -84.4 | 178.6 | 173.7 | 173.1 | 0 | 113.9 | L356 S357 | K354-L356 PolarHBondContact O-N 3.08Å; K354-S357 PolarHBondContact O-N 3.36Å; K354-S357 PolarHBondContact O-OG 3.38Å |
| 355 | E | 52.4 | Low | 46.3 | Very low | 123 Ų | 123 | 126.1 Ų | 126.1 | 58% | 0.575 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -61.5 | -31.1 | 177.5 | -60.7 | 81.2 | -162.7 | 0 | 0 | 112.1 | P353 S357 E358 | P353-E355 WeakPolarHBondContact CB-OE2 3.36Å; P353-E355 PolarHBondContact O-N 3.17Å; E355-S357 VanDerWaalsContact C-N 3.3Å; E355-S357 PolarHBondContact O-N 2.88Å; E355-E358 PolarHBondContact O-N 3.04Å |
| 356 | L | 52 | Low | 47.6 | Very low | 51 Ų | 51 | 125 Ų | 125 | 27% | 0.267 | 68% | 0.675 | S | S | . | * | G | 310 helix | trans | -71.6 | -21.5 | -179.2 | -67.2 | 179.4 | 0 | 0 | 0 | 113.9 | L352 P353 K354 I359 L375 | L352-L356 HydrophobicContact CD2-CB 4.46Å; L352-L356 HydrophobicContact CD2-CD1 4.05Å; L352-L356 HydrophobicContact CG-CD1 4.29Å; P353-L356 PolarHBondContact O-N 3.34Å; K354-L356 PolarHBondContact O-N 3.08Å; L356-I359 HydrophobicContact CD2-CD1 3.75Å; L356-L375 HydrophobicContact CD2-CD1 4.31Å |
| 357 | S | 53.7 | Low | 48 | Very low | 85 Ų | 85 | 124.4 Ų | 124.4 | 59% | 0.594 | 66% | 0.664 | S | S | * | * | G | 310 helix | trans | -76.3 | -21.4 | 176.9 | 27.1 | 0 | 0 | 0 | 0 | 114.1 | K354 E355 | K354-S357 PolarHBondContact O-N 3.36Å; K354-S357 PolarHBondContact O-OG 3.38Å; E355-S357 VanDerWaalsContact C-N 3.3Å; E355-S357 PolarHBondContact O-N 2.88Å |
| 358 | E | 53.3 | Low | 49.3 | Very low | 148 Ų | 148 | 120.3 Ų | 120.3 | 69% | 0.692 | 64% | 0.641 | S | S | * | * | G | 310 helix | trans | -83.1 | -13.6 | -178.1 | -57 | -163.1 | 156.4 | 0 | 0 | 113.1 | E355 F360 | E355-E358 PolarHBondContact O-N 3.04Å; E358-F360 PolarHBondContact O-N 3.49Å |
| 359 | I | 52.2 | Low | 50.4 | Low | 61 Ų | 61 | 121.2 Ų | 121.2 | 31% | 0.313 | 64% | 0.637 | S | S | . | * | G | 310 helix | trans | -72.9 | -25.3 | -177.3 | -62.2 | 171 | 0 | 0 | 0 | 112.9 | L356 L375 | L356-I359 HydrophobicContact CD2-CD1 3.75Å; I359-L375 HydrophobicContact CD1-CD1 4.06Å; I359-L375 HydrophobicContact CD1-CD2 3.52Å; I359-L375 HydrophobicContact CD1-CG 4.46Å; I359-L375 HydrophobicContact CG1-CD2 4.37Å |
| 360 | F | 47.2 | Very low | 51.2 | Low | 177 Ų | 177 | 121.7 Ų | 121.7 | 78% | 0.776 | 63% | 0.629 | S | S | * | * | G | 310 helix | trans | -105.1 | 11.8 | -170.6 | -67.8 | -83 | 0 | 0 | 0 | 114.3 | E358 P362 | E358-F360 PolarHBondContact O-N 3.49Å; F360-P362 WeakPolarHBondContact O-CD 3.42Å |
| 361 | D | 48.8 | Very low | 52 | Low | 80 Ų | 80 | 118 Ų | 118 | 43% | 0.428 | 61% | 0.61 | S | S | . | * | trans | -88.5 | 112.1 | 171.1 | -175.9 | -20.6 | 0 | 0 | 0 | 110.7 | T363 | D361-T363 PolarHBondContact O-N 2.78Å; D361-T363 VanDerWaalsContact O-N 3.12Å; D361-T363 WeakPolarHBondContact OD1-CA 3.2Å; D361-T363 WeakPolarHBondContact OD1-CB 3.27Å; D361-T363 PolarHBondContact OD1-N 2.92Å; D361-T363 PolarHBondContact OD1-OG1 3.13Å | ||
| 362 | P | 42.6 | Very low | 53 | Low | 125 Ų | 125 | 112.5 Ų | 112.5 | 81% | 0.812 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | 11 | -178 | 34.4 | -37.4 | 0 | 0 | 0 | 114 | F360 | F360-P362 WeakPolarHBondContact O-CD 3.42Š|
| 363 | T | 45.5 | Very low | 54 | Low | 46 Ų | 46 | 112.5 Ų | 112.5 | 28% | 0.282 | 58% | 0.583 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -116.3 | 17.3 | -173.4 | 76.2 | 0 | 0 | 0 | 0 | 115.2 | K177 D361 | K177-T363 PolarHBondContact NZ-O 3.42Å; D361-T363 PolarHBondContact O-N 2.78Å; D361-T363 VanDerWaalsContact O-N 3.12Å; D361-T363 WeakPolarHBondContact OD1-CA 3.2Å; D361-T363 WeakPolarHBondContact OD1-CB 3.27Å; D361-T363 PolarHBondContact OD1-N 2.92Å; D361-T363 PolarHBondContact OD1-OG1 3.13Å |
| 364 | R | 57.1 | Low | 54.2 | Low | 205 Ų | 205 | 116 Ų | 116 | 77% | 0.774 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -92.6 | 144.1 | 165.5 | -76.1 | -78.5 | 168.8 | 153.5 | -0.3 | 111 | ||
| 365 | E | 50.7 | Low | 54.8 | Low | 183 Ų | 183 | 109.7 Ų | 109.7 | 86% | 0.855 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -65.9 | 166.1 | 161.3 | -67.5 | -177.9 | 139.8 | 0 | 0 | 110.2 | M367 | E365-M367 PolarHBondContact O-N 3.45Š|
| 366 | C | 52.8 | Low | 55 | Low | 131 Ų | 131 | 109.3 Ų | 109.3 | 89% | 0.885 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -39.1 | 132.8 | -168.3 | -165.5 | 0 | 0 | 0 | 0 | 114.9 | S368 | C366-S368 PolarHBondContact O-N 3.15Š|
| 367 | M | 53.4 | Low | 55.4 | Low | 96 Ų | 96 | 111.5 Ų | 111.5 | 47% | 0.473 | 59% | 0.586 | S | S | . | * | trans | -44.9 | 125.1 | 174.7 | -68.3 | -85.1 | -74.8 | 0 | 0 | 110.9 | E365 S369 L372 | E365-M367 PolarHBondContact O-N 3.45Å; M367-S369 PolarHBondContact O-N 2.95Å; M367-L372 HydrophobicContact CE-CD1 4.07Å | ||
| 368 | S | 59.8 | Low | 55.6 | Low | 66 Ų | 66 | 110.3 Ų | 110.3 | 46% | 0.462 | 58% | 0.578 | S | S | . | * | trans | -62.5 | 128.3 | 173.2 | 44 | 0 | 0 | 0 | 0 | 110.1 | C366 E370 L371 L372 | C366-S368 PolarHBondContact O-N 3.15Å; S368-E370 PolarHBondContact O-N 3.38Å; S368-L371 PolarHBondContact O-N 3.05Å; S368-L371 WeakPolarHBondContact OG-CB 3.49Å; S368-L372 PolarHBondContact O-N 3.19Å; S368-L372 VanDerWaalsContact O-N 3.14Å | ||
| 369 | S | 59 | Low | 55.7 | Low | 90 Ų | 90 | 111.9 Ų | 111.9 | 63% | 0.629 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -54.4 | -40.8 | -176.7 | 47.3 | 0 | 0 | 0 | 0 | 112.7 | M367 L371 L372 E373 | M367-S369 PolarHBondContact O-N 2.95Å; S369-L371 VanDerWaalsContact C-N 3.31Å; S369-L371 PolarHBondContact O-N 3.31Å; S369-L372 PolarHBondContact O-N 3.16Å; S369-E373 PolarHBondContact O-N 3.02Å |
| 370 | E | 54.9 | Low | 56.1 | Low | 156 Ų | 156 | 113.5 Ų | 113.5 | 73% | 0.729 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -59.2 | -38.9 | 178.4 | -60 | 172.9 | 156.5 | 0 | 0 | 112.3 | S368 E374 | S368-E370 PolarHBondContact O-N 3.38Å; E370-E374 PolarHBondContact O-N 3.5Å; E370-E374 VanDerWaalsContact O-N 3.12Å |
| 371 | L | 59.8 | Low | 56.3 | Low | 86 Ų | 86 | 111.2 Ų | 111.2 | 45% | 0.45 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -82.3 | -29.7 | -176.8 | -154.7 | 153.6 | 0 | 0 | 0 | 111.4 | S368 S369 L375 | S368-L371 PolarHBondContact O-N 3.05Å; S368-L371 WeakPolarHBondContact OG-CB 3.49Å; S369-L371 VanDerWaalsContact C-N 3.31Å; S369-L371 PolarHBondContact O-N 3.31Å; L371-L375 WeakPolarHBondContact O-CB 3.46Å; L371-L375 PolarHBondContact O-N 3.01Å |
| 372 | L | 63.7 | Low | 56.6 | Low | 72 Ų | 72 | 111.4 Ų | 111.4 | 38% | 0.377 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -67.6 | -37.6 | 169.5 | -175.2 | 64.5 | 0 | 0 | 0 | 111.8 | M367 S368 S369 M376 | M367-L372 HydrophobicContact CE-CD1 4.07Å; S368-L372 PolarHBondContact O-N 3.19Å; S368-L372 VanDerWaalsContact O-N 3.14Å; S369-L372 PolarHBondContact O-N 3.16Å; L372-M376 HydrophobicContact CG-CE 4.16Å; L372-M376 WeakPolarHBondContact O-CB 3.39Å; L372-M376 WeakPolarHBondContact O-CG 3.22Å; L372-M376 PolarHBondContact O-N 3.39Å |
| 373 | E | 65.4 | Low | 57.1 | Low | 134 Ų | 134 | 111.1 Ų | 111.1 | 63% | 0.626 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -69.2 | -40.1 | 176.5 | -171.5 | 167 | -157.3 | 0 | 0 | 112.1 | S369 S377 | S369-E373 PolarHBondContact O-N 3.02Å; E373-S377 WeakPolarHBondContact O-CB 3.19Å; E373-S377 PolarHBondContact O-N 2.93Å; E373-S377 PolarHBondContact O-OG 2.76Å |
| 374 | E | 62.6 | Low | 57.5 | Low | 148 Ų | 148 | 115.8 Ų | 115.8 | 69% | 0.692 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -63.3 | -44.9 | 172.9 | -172.5 | 162.8 | -149.5 | 0 | 0 | 111.8 | E370 M376 S377 S378 | E370-E374 PolarHBondContact O-N 3.5Å; E370-E374 VanDerWaalsContact O-N 3.12Å; E374-M376 PolarHBondContact O-N 3Å; E374-S377 PolarHBondContact O-N 3.36Å; E374-S377 VanDerWaalsContact O-N 3.15Å; E374-S378 PolarHBondContact O-N 3.25Å |
| 375 | L | 63.7 | Low | 57.5 | Low | 41 Ų | 41 | 113.4 Ų | 113.4 | 22% | 0.215 | 62% | 0.622 | C | S | . | * | H | α-helix | trans | -64.6 | -41.2 | 178.2 | -167.4 | 79.8 | 0 | 0 | 0 | 112.8 | L356 I359 L371 S377 S378 | L356-L375 HydrophobicContact CD2-CD1 4.31Å; I359-L375 HydrophobicContact CD1-CD1 4.06Å; I359-L375 HydrophobicContact CD1-CD2 3.52Å; I359-L375 HydrophobicContact CD1-CG 4.46Å; I359-L375 HydrophobicContact CG1-CD2 4.37Å; L371-L375 WeakPolarHBondContact O-CB 3.46Å; L371-L375 PolarHBondContact O-N 3.01Å; L375-S377 PolarHBondContact O-N 2.88Å; L375-S378 WeakPolarHBondContact O-CB 3.5Å; L375-S378 PolarHBondContact O-N 3.39Å |
| 376 | M | 57.6 | Low | 57.8 | Low | 114 Ų | 114 | 113 Ų | 113 | 56% | 0.562 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -70.1 | -15.1 | 175.8 | -72.2 | -169.9 | -56.9 | 0 | 0 | 113.5 | L372 E374 | L372-M376 HydrophobicContact CG-CE 4.16Å; L372-M376 WeakPolarHBondContact O-CB 3.39Å; L372-M376 WeakPolarHBondContact O-CG 3.22Å; L372-M376 PolarHBondContact O-N 3.39Å; E374-M376 PolarHBondContact O-N 3Å |
| 377 | S | 58.8 | Low | 58 | Low | 97 Ų | 97 | 114.4 Ų | 114.4 | 68% | 0.678 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -4.5 | 177.2 | -58.7 | 0 | 0 | 0 | 0 | 113.5 | E373 E374 L375 | E373-S377 WeakPolarHBondContact O-CB 3.19Å; E373-S377 PolarHBondContact O-N 2.93Å; E373-S377 PolarHBondContact O-OG 2.76Å; E374-S377 PolarHBondContact O-N 3.36Å; E374-S377 VanDerWaalsContact O-N 3.15Å; L375-S377 PolarHBondContact O-N 2.88Å |
| 378 | S | 59.2 | Low | 58.1 | Low | 60 Ų | 60 | 113.1 Ų | 113.1 | 42% | 0.42 | 61% | 0.611 | S | S | . | * | S | Bend | trans | -81.6 | 145.3 | -178.3 | -172.6 | 0 | 0 | 0 | 0 | 113 | E374 L375 V380 | E374-S378 PolarHBondContact O-N 3.25Å; L375-S378 WeakPolarHBondContact O-CB 3.5Å; L375-S378 PolarHBondContact O-N 3.39Å; S378-V380 PolarHBondContact O-N 2.69Å |
| 379 | E | 55.9 | Low | 58.1 | Low | 181 Ų | 181 | 115 Ų | 115 | 85% | 0.846 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -64.2 | -8.2 | -172.8 | -61.4 | -171 | 142 | 0 | 0 | 114.6 | F381 A382 | E379-F381 VanDerWaalsContact C-N 3.27Å; E379-F381 PolarHBondContact O-N 2.83Å; E379-A382 WeakPolarHBondContact O-CB 3.35Å; E379-A382 PolarHBondContact O-N 3.24Å |
| 380 | V | 60.2 | Low | 57.9 | Low | 96 Ų | 96 | 115 Ų | 115 | 58% | 0.582 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -61.4 | -30.1 | -178.4 | -175.2 | 0 | 0 | 0 | 0 | 113.1 | S378 | S378-V380 PolarHBondContact O-N 2.69Š|
| 381 | F | 50.5 | Low | 58.1 | Low | 129 Ų | 129 | 110.1 Ų | 110.1 | 57% | 0.566 | 60% | 0.602 | S | S | * | * | G | 310 helix | trans | -107.5 | 20.9 | -177.7 | -70.4 | -77.8 | 0 | 0 | 0 | 114.4 | E379 P383 L384 | E379-F381 VanDerWaalsContact C-N 3.27Å; E379-F381 PolarHBondContact O-N 2.83Å; F381-P383 VanDerWaalsContact O-CD 3.28Å; F381-P383 WeakPolarHBondContact O-CD 3.49Å; F381-P383 VanDerWaalsContact O-N 3.09Å; F381-L384 PolarHBondContact O-N 3.39Å |
| 382 | A | 56.4 | Low | 58.4 | Low | 84 Ų | 84 | 107.8 Ų | 107.8 | 69% | 0.694 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.3 | -25.2 | -171.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | E379 | E379-A382 WeakPolarHBondContact O-CB 3.35Å; E379-A382 PolarHBondContact O-N 3.24Å |
| 383 | P | 52.5 | Low | 57.9 | Low | 118 Ų | 118 | 111.2 Ų | 111.2 | 77% | 0.766 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -5.5 | -177.7 | 31.8 | -34.8 | 0 | 0 | 0 | 115.6 | F381 | F381-P383 VanDerWaalsContact O-CD 3.28Å; F381-P383 WeakPolarHBondContact O-CD 3.49Å; F381-P383 VanDerWaalsContact O-N 3.09Å |
| 384 | L | 52.9 | Low | 57.4 | Low | 144 Ų | 144 | 112.2 Ų | 112.2 | 75% | 0.754 | 62% | 0.622 | S | S | * | * | trans | -111 | 100 | -171.9 | -64.2 | -178.6 | 0 | 0 | 0 | 113.4 | F381 R386 | F381-L384 PolarHBondContact O-N 3.39Å; L384-R386 PolarHBondContact O-N 2.82Å | ||
| 385 | L | 57 | Low | 57.4 | Low | 155 Ų | 155 | 110 Ų | 110 | 81% | 0.812 | 61% | 0.614 | S | S | * | * | trans | -84.4 | 111 | 178.1 | -166.9 | 76.5 | 0 | 0 | 0 | 111.9 | L387 | L385-L387 HydrophobicContact CD2-CD2 3.98Å; L385-L387 HydrophobicContact CG-CD2 4.38Å | ||
| 386 | R | 57.6 | Low | 57 | Low | 175 Ų | 175 | 116.2 Ų | 116.2 | 66% | 0.66 | 64% | 0.636 | S | S | * | * | trans | -84 | 122.3 | 177.3 | -162.9 | 173 | -173.5 | 160.4 | 0.8 | 111 | L384 | L384-R386 PolarHBondContact O-N 2.82Š| ||
| 387 | L | 57.8 | Low | 56.8 | Low | 161 Ų | 161 | 115.3 Ų | 115.3 | 84% | 0.843 | 63% | 0.633 | S | S | * | * | trans | -99.4 | 11.9 | -173.5 | -67.1 | 176.8 | 0 | 0 | 0 | 114.9 | L385 | L385-L387 HydrophobicContact CD2-CD2 3.98Å; L385-L387 HydrophobicContact CG-CD2 4.38Å | ||
| 388 | S | 55.1 | Low | 56.7 | Low | 68 Ų | 68 | 120.2 Ų | 120.2 | 48% | 0.476 | 64% | 0.638 | S | S | . | * | S | Bend | trans | -126.6 | 154.7 | 171.1 | 74.2 | 0 | 0 | 0 | 0 | 110 | ||
| 389 | P | 58.9 | Low | 56.7 | Low | 107 Ų | 107 | 124 Ų | 124 | 70% | 0.695 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 156.5 | 160.5 | -22 | 33.9 | 0 | 0 | 0 | 111.1 | ||
| 390 | P | 56 | Low | 56.8 | Low | 89 Ų | 89 | 118.8 Ų | 118.8 | 58% | 0.578 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 139.4 | 158.1 | -16.6 | 31 | 0 | 0 | 0 | 109.4 | ||
| 391 | P | 58.3 | Low | 57.1 | Low | 53 Ų | 53 | 118.5 Ų | 118.5 | 34% | 0.344 | 63% | 0.626 | S | S | . | * | P | Polyproline II helix | trans | -61.6 | 138.8 | 165.6 | 27.6 | -33.4 | 0 | 0 | 0 | 109.5 | D395 Y396 | P391-D395 VanDerWaalsContact CA-OD2 3.29Å; P391-D395 WeakPolarHBondContact CA-OD2 3.32Å; P391-D395 HydrophobicContact CB-CB 3.92Å; P391-Y396 HydrophobicContact CB-CE2 3.93Å; P391-Y396 HydrophobicContact CG-CE2 3.75Å; P391-Y396 VanDerWaalsContact CG-OH 3.29Å; P391-Y396 WeakPolarHBondContact CG-OH 3.31Å |
| 392 | G | 65.7 | Low | 57.7 | Low | 37 Ų | 37 | 122.5 Ų | 122.5 | 38% | 0.381 | 65% | 0.646 | S | S | . | * | P | Polyproline II helix | trans | -86 | 169.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | H394 D395 | G392-H394 PolarHBondContact O-N 3.09Å; G392-D395 PolarHBondContact N-OD2 3.05Å; G392-D395 WeakPolarHBondContact O-CB 3.49Å; G392-D395 PolarHBondContact O-N 3.34Å |
| 393 | D | 54.9 | Low | 58.1 | Low | 144 Ų | 144 | 123.3 Ų | 123.3 | 77% | 0.77 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.9 | -25.8 | -178.4 | -59 | -30.1 | 0 | 0 | 0 | 113.7 | I397 | D393-I397 WeakPolarHBondContact O-CG1 3.4Š|
| 394 | H | 54.7 | Low | 59 | Low | 156 Ų | 156 | 122.5 Ų | 122.5 | 72% | 0.722 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -24.5 | 177 | -60.4 | -36.4 | 0 | 0 | 0 | 114.3 | G392 Y396 I397 | G392-H394 PolarHBondContact O-N 3.09Å; H394-Y396 PolarHBondContact O-N 3.32Å; H394-I397 PolarHBondContact O-N 3.36Å |
| 395 | D | 61.3 | Low | 59.8 | Low | 101 Ų | 101 | 116.9 Ų | 116.9 | 54% | 0.54 | 61% | 0.61 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.9 | -13.4 | 179.6 | -62.9 | -41.1 | 0 | 0 | 0 | 112.3 | P391 G392 | P391-D395 VanDerWaalsContact CA-OD2 3.29Å; P391-D395 WeakPolarHBondContact CA-OD2 3.32Å; P391-D395 HydrophobicContact CB-CB 3.92Å; G392-D395 PolarHBondContact N-OD2 3.05Å; G392-D395 WeakPolarHBondContact O-CB 3.49Å; G392-D395 PolarHBondContact O-N 3.34Å |
| 396 | Y | 54.9 | Low | 60.1 | Low | 171 Ų | 171 | 114.3 Ų | 114.3 | 67% | 0.671 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | -6.5 | 176.1 | -69.4 | -79.7 | 0 | 0 | 0 | 113.9 | P391 H394 Y398 | P391-Y396 HydrophobicContact CB-CE2 3.93Å; P391-Y396 HydrophobicContact CG-CE2 3.75Å; P391-Y396 VanDerWaalsContact CG-OH 3.29Å; P391-Y396 WeakPolarHBondContact CG-OH 3.31Å; H394-Y396 PolarHBondContact O-N 3.32Å; Y396-Y398 VanDerWaalsContact C-N 3.31Å; Y396-Y398 PolarHBondContact O-N 3.15Å |
| 397 | I | 55 | Low | 60.2 | Low | 95 Ų | 95 | 109.4 Ų | 109.4 | 49% | 0.487 | 59% | 0.592 | S | S | . | * | trans | -89.8 | 64.8 | -174.8 | -49.2 | 177.6 | 0 | 0 | 0 | 110.7 | D393 H394 N399 | D393-I397 WeakPolarHBondContact O-CG1 3.4Å; H394-I397 PolarHBondContact O-N 3.36Å; I397-N399 WeakPolarHBondContact CG2-ND2 3.48Å; I397-N399 PolarHBondContact O-N 3.42Å; I397-N399 VanDerWaalsContact O-N 3.14Å | ||
| 398 | Y | 56.6 | Low | 60.6 | Low | 201 Ų | 201 | 106.6 Ų | 106.6 | 79% | 0.788 | 58% | 0.578 | S | S | * | * | trans | -83.8 | 69.5 | 166.2 | -79.9 | -87.6 | 0 | 0 | 0 | 110.5 | Y396 | Y396-Y398 VanDerWaalsContact C-N 3.31Å; Y396-Y398 PolarHBondContact O-N 3.15Å | ||
| 399 | N | 58 | Low | 61.2 | Low | 139 Ų | 139 | 108.4 Ų | 108.4 | 74% | 0.743 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 119 | 166.2 | -69.7 | -25.1 | 0 | 0 | 0 | 109 | I397 | I397-N399 WeakPolarHBondContact CG2-ND2 3.48Å; I397-N399 PolarHBondContact O-N 3.42Å; I397-N399 VanDerWaalsContact O-N 3.14Å |
| 400 | L | 59.5 | Low | 61.5 | Low | 71 Ų | 71 | 110.1 Ų | 110.1 | 37% | 0.372 | 58% | 0.579 | S | S | . | * | P | Polyproline II helix | trans | -64.7 | 147.5 | 160.3 | -64.4 | 171.6 | 0 | 0 | 0 | 109 | E404 V406 | L400-E404 HydrophobicContact CB-CB 4.02Å; L400-E404 HydrophobicContact CD2-CB 4.12Å; L400-V406 HydrophobicContact CD1-CG2 4.36Å |
| 401 | D | 64.7 | Low | 61.6 | Low | 91 Ų | 91 | 113.5 Ų | 113.5 | 49% | 0.487 | 59% | 0.592 | S | S | . | * | P | Polyproline II helix | trans | -73.5 | 163.3 | 172 | 105.3 | 38.6 | 0 | 0 | 0 | 111.9 | S403 E404 | D401-S403 PolarHBondContact O-N 3.12Å; D401-S403 WeakPolarHBondContact OD1-CA 3.47Å; D401-S403 WeakPolarHBondContact OD1-CB 3.46Å; D401-S403 PolarHBondContact OD1-N 3.08Å; D401-S403 PolarHBondContact OD1-OG 3.46Å; D401-E404 PolarHBondContact N-OE2 3.48Å; D401-E404 VanDerWaalsContact N-OE2 3.15Å; D401-E404 PolarHBondContact O-N 3.02Å |
| 402 | E | 63.8 | Low | 61.6 | Low | 212 Ų | 212 | 115.3 Ų | 115.3 | 99% | 0.991 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | -9 | -176.1 | -61.9 | -172.2 | 142.5 | 0 | 0 | 114.5 | ||
| 403 | S | 64.6 | Low | 61.2 | Low | 102 Ų | 102 | 118.8 Ų | 118.8 | 71% | 0.713 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.5 | -5.9 | 175.8 | 69 | 0 | 0 | 0 | 0 | 115.2 | D401 | D401-S403 PolarHBondContact O-N 3.12Å; D401-S403 WeakPolarHBondContact OD1-CA 3.47Å; D401-S403 WeakPolarHBondContact OD1-CB 3.46Å; D401-S403 PolarHBondContact OD1-N 3.08Å; D401-S403 PolarHBondContact OD1-OG 3.46Å |
| 404 | E | 72.2 | Confident | 61.6 | Low | 101 Ų | 101 | 116.6 Ų | 116.6 | 47% | 0.472 | 61% | 0.609 | S | S | . | * | trans | -95.4 | 143.5 | 178.8 | -68.6 | -175.7 | 138.7 | 0 | 0 | 112.4 | L400 D401 | L400-E404 HydrophobicContact CB-CB 4.02Å; L400-E404 HydrophobicContact CD2-CB 4.12Å; D401-E404 PolarHBondContact N-OE2 3.48Å; D401-E404 VanDerWaalsContact N-OE2 3.15Å; D401-E404 PolarHBondContact O-N 3.02Å | ||
| 405 | G | 68.9 | Low | 61.7 | Low | 26 Ų | 26 | 117 Ų | 117 | 27% | 0.268 | 62% | 0.615 | S | S | . | * | trans | -108.4 | 161.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | C407 D408 | G405-C407 PolarHBondContact O-N 2.93Å; G405-D408 WeakPolarHBondContact CA-OD2 3.48Å; G405-D408 PolarHBondContact N-OD2 3.19Å; G405-D408 PolarHBondContact O-N 3.11Å | ||
| 406 | V | 63.1 | Low | 61.3 | Low | 101 Ų | 101 | 119.2 Ų | 119.2 | 61% | 0.612 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.4 | -22.1 | 170.3 | -178.3 | 0 | 0 | 0 | 0 | 111.8 | L400 D408 F410 | L400-V406 HydrophobicContact CD1-CG2 4.36Å; V406-D408 VanDerWaalsContact C-N 3.35Å; V406-F410 HydrophobicContact CG1-CE2 4.28Å; V406-F410 WeakPolarHBondContact O-CD2 3.38Å |
| 407 | C | 61 | Low | 60.6 | Low | 71 Ų | 71 | 122.6 Ų | 122.6 | 48% | 0.48 | 66% | 0.656 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.6 | -39.4 | 173.7 | -55.6 | 0 | 0 | 0 | 0 | 113.4 | G405 L409 F410 | G405-C407 PolarHBondContact O-N 2.93Å; C407-L409 VanDerWaalsContact C-N 3.26Å; C407-L409 PolarHBondContact O-N 3.32Å; C407-F410 PolarHBondContact O-N 3.45Å |
| 408 | D | 64.8 | Low | 60.9 | Low | 103 Ų | 103 | 124 Ų | 124 | 55% | 0.551 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -73.5 | -22 | -172.6 | -55.6 | -66.7 | 0 | 0 | 0 | 111.7 | G405 V406 F410 | G405-D408 WeakPolarHBondContact CA-OD2 3.48Å; G405-D408 PolarHBondContact N-OD2 3.19Å; G405-D408 PolarHBondContact O-N 3.11Å; V406-D408 VanDerWaalsContact C-N 3.35Å; D408-F410 PolarHBondContact O-N 3.4Å |
| 409 | L | 67.8 | Low | 61.1 | Low | 106 Ų | 106 | 119.9 Ų | 119.9 | 56% | 0.555 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -70 | -9.2 | 175.2 | -158 | 70.5 | 0 | 0 | 0 | 113.9 | C407 | C407-L409 VanDerWaalsContact C-N 3.26Å; C407-L409 PolarHBondContact O-N 3.32Å |
| 410 | F | 65.3 | Low | 61.3 | Low | 143 Ų | 143 | 118.9 Ų | 118.9 | 63% | 0.627 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -130.8 | 14.3 | -172.1 | -65.9 | -74.3 | 0 | 0 | 0 | 114.9 | V406 C407 D408 V412 | V406-F410 HydrophobicContact CG1-CE2 4.28Å; V406-F410 WeakPolarHBondContact O-CD2 3.38Å; C407-F410 PolarHBondContact O-N 3.45Å; D408-F410 PolarHBondContact O-N 3.4Å; F410-V412 HydrophobicContact CB-CG2 3.84Å; F410-V412 WeakPolarHBondContact O-CG2 3.17Å; F410-V412 PolarHBondContact O-N 3.46Å; F410-V412 VanDerWaalsContact O-N 3.08Å |
| 411 | D | 58.8 | Low | 61.4 | Low | 160 Ų | 160 | 121.7 Ų | 121.7 | 86% | 0.856 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 52.9 | 28.1 | 178.8 | -82.5 | -39.2 | 0 | 0 | 0 | 114.4 | P413 | D411-P413 VanDerWaalsContact O-CD 3.29Å; D411-P413 WeakPolarHBondContact O-CD 3.46Å |
| 412 | V | 58.8 | Low | 61.2 | Low | 90 Ų | 90 | 123.6 Ų | 123.6 | 55% | 0.545 | 68% | 0.681 | S | S | . | * | trans | -82.3 | 115.3 | -174.1 | -173.2 | 0 | 0 | 0 | 0 | 110.6 | F410 V414 | F410-V412 HydrophobicContact CB-CG2 3.84Å; F410-V412 WeakPolarHBondContact O-CG2 3.17Å; F410-V412 PolarHBondContact O-N 3.46Å; F410-V412 VanDerWaalsContact O-N 3.08Å; V412-V414 PolarHBondContact O-N 3.09Å | ||
| 413 | P | 57.3 | Low | 61 | Low | 110 Ų | 110 | 117.7 Ų | 117.7 | 71% | 0.714 | 66% | 0.661 | S | S | * | * | trans | -71 | 104.5 | -178.6 | 28.4 | -34.2 | 0 | 0 | 0 | 111.2 | D411 L415 | D411-P413 VanDerWaalsContact O-CD 3.29Å; D411-P413 WeakPolarHBondContact O-CD 3.46Å; P413-L415 PolarHBondContact O-N 3.37Å | ||
| 414 | V | 63.3 | Low | 60.8 | Low | 99 Ų | 99 | 118.9 Ų | 118.9 | 60% | 0.6 | 66% | 0.657 | S | S | * | * | trans | -66.5 | 113.5 | 177 | -176.5 | 0 | 0 | 0 | 0 | 110 | V412 N416 | V412-V414 PolarHBondContact O-N 3.09Å; V414-N416 PolarHBondContact O-N 3.48Å | ||
| 415 | L | 56.4 | Low | 59.9 | Low | 163 Ų | 163 | 120.2 Ų | 120.2 | 85% | 0.853 | 67% | 0.671 | S | S | * | * | trans | -77.9 | 98.2 | 171.7 | -68.9 | 174.1 | 0 | 0 | 0 | 109.4 | P413 | P413-L415 PolarHBondContact O-N 3.37Š| ||
| 416 | N | 52.8 | Low | 59.1 | Low | 149 Ų | 149 | 128.1 Ų | 128.1 | 80% | 0.797 | 71% | 0.705 | S | S | * | * | trans | -58.6 | 139.4 | 173.5 | -70.4 | -28.9 | 0 | 0 | 0 | 111.6 | V414 | V414-N416 PolarHBondContact O-N 3.48Š| ||
| 417 | L | 40.6 | Very low | 58.8 | Low | 242 Ų | 242 | 130.5 Ų | 130.5 | 100% | 1.267 | 71% | 0.713 | S | S | * | * | trans | -92.8 | 0 | 171.3 | -117.3 | 74.9 | 0 | 0 | 0 | 111.4 |
Retrieved 417 of 417 residues in 59.2 ms
(Link to these results)