| 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 | 38.7 | Very low | 68.1 | Low | 247 Ų | 247 | 113.5 Ų | 113.5 | 100% | 1.217 | 67% | 0.674 | S | S | * | * | 0 | 105.6 | 0 | -71.8 | -179.4 | 172.6 | 0 | 0 | 107.7 | G3 | M1-G3 PolarHBondContact O-N 3.43Š| |||
| 2 | T | 55.9 | Low | 69.2 | Low | 138 Ų | 138 | 112.2 Ų | 112.2 | 85% | 0.847 | 65% | 0.654 | S | S | * | * | trans | -87.4 | 88.5 | 179.1 | -15.3 | 0 | 0 | 0 | 0 | 107.1 | E4 A6 | T2-E4 PolarHBondContact O-N 3.04Å; T2-A6 HydrophobicContact CG2-CB 4.46Å | ||
| 3 | G | 58 | Low | 70 | Confident | 47 Ų | 47 | 115.2 Ų | 115.2 | 49% | 0.485 | 65% | 0.648 | S | S | . | * | trans | -60.1 | 132.7 | 178 | 0 | 0 | 0 | 0 | 0 | 110 | M1 G5 A6 | M1-G3 PolarHBondContact O-N 3.43Å; G3-G5 PolarHBondContact O-N 2.87Å; G3-A6 WeakPolarHBondContact O-CB 3.39Å; G3-A6 PolarHBondContact O-N 3.26Å | ||
| 4 | E | 57.7 | Low | 70.5 | Confident | 212 Ų | 212 | 119.7 Ų | 119.7 | 99% | 0.991 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | 95.4 | 175.1 | -162.3 | 165 | -152.4 | 0 | 0 | 108.6 | T2 | T2-E4 PolarHBondContact O-N 3.04Š|
| 5 | G | 67.3 | Low | 71.2 | Confident | 70 Ų | 70 | 119.5 Ų | 119.5 | 72% | 0.722 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 133.5 | -6.4 | -167.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | G3 V7 | G3-G5 PolarHBondContact O-N 2.87Å; G5-V7 PolarHBondContact O-N 2.85Å |
| 6 | A | 71.8 | Confident | 71.8 | Confident | 71 Ų | 71 | 115.5 Ų | 115.5 | 59% | 0.587 | 61% | 0.613 | S | S | * | * | trans | -63.3 | 108.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | T2 G3 | T2-A6 HydrophobicContact CG2-CB 4.46Å; G3-A6 WeakPolarHBondContact O-CB 3.39Å; G3-A6 PolarHBondContact O-N 3.26Å | ||
| 7 | V | 81 | Confident | 72.4 | Confident | 78 Ų | 78 | 119.2 Ų | 119.2 | 47% | 0.473 | 62% | 0.618 | S | S | . | * | trans | -68.9 | 134.9 | 173.3 | -170.4 | 0 | 0 | 0 | 0 | 108.1 | G5 E11 | G5-V7 PolarHBondContact O-N 2.85Å; V7-E11 HydrophobicContact CG1-CB 3.57Å; V7-E11 HydrophobicContact CG1-CG 3.43Å; V7-E11 VanDerWaalsContact CG1-CG 3.43Å | ||
| 8 | S | 84.9 | Confident | 72.7 | Confident | 62 Ų | 62 | 118.9 Ų | 118.9 | 43% | 0.434 | 62% | 0.622 | S | S | . | * | trans | -61.5 | 148.7 | 173.8 | 68.5 | 0 | 0 | 0 | 0 | 110.4 | L10 E11 F12 | S8-L10 PolarHBondContact O-N 2.69Å; S8-E11 CarbonylContact O-C 3.48Å; S8-E11 WeakPolarHBondContact O-CA 3.48Å; S8-E11 PolarHBondContact O-N 3.31Å; S8-E11 WeakPolarHBondContact OG-CB 3.47Å; S8-E11 PolarHBondContact OG-N 2.85Å; S8-F12 PolarHBondContact O-N 2.8Å | ||
| 9 | L | 76.6 | Confident | 73 | Confident | 125 Ų | 125 | 121.9 Ų | 121.9 | 65% | 0.654 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -55.1 | -40.5 | 179.1 | -175.7 | 63.1 | 0 | 0 | 0 | 111.9 | E11 F12 W13 | L9-E11 VanDerWaalsContact C-N 3.33Å; L9-E11 PolarHBondContact O-N 3.15Å; L9-F12 WeakPolarHBondContact O-CB 3.2Å; L9-F12 PolarHBondContact O-N 3.22Å; L9-W13 PolarHBondContact O-N 3.37Å |
| 10 | L | 76.3 | Confident | 73.4 | Confident | 143 Ų | 143 | 117.8 Ų | 117.8 | 75% | 0.749 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -60.3 | -41.6 | 174.3 | -96.9 | 165.6 | 0 | 0 | 0 | 112.5 | S8 R14 | S8-L10 PolarHBondContact O-N 2.69Å; L10-R14 WeakPolarHBondContact O-CB 3.47Å; L10-R14 PolarHBondContact O-N 3.4Å |
| 11 | E | 80.5 | Confident | 73.6 | Confident | 55 Ų | 55 | 113.8 Ų | 113.8 | 26% | 0.257 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -73.7 | -32.5 | 178.2 | -179.6 | 173.3 | -172.7 | 0 | 0 | 112.7 | V7 S8 L9 R14 K15 | V7-E11 HydrophobicContact CG1-CB 3.57Å; V7-E11 HydrophobicContact CG1-CG 3.43Å; V7-E11 VanDerWaalsContact CG1-CG 3.43Å; S8-E11 CarbonylContact O-C 3.48Å; S8-E11 WeakPolarHBondContact O-CA 3.48Å; S8-E11 PolarHBondContact O-N 3.31Å; S8-E11 WeakPolarHBondContact OG-CB 3.47Å; S8-E11 PolarHBondContact OG-N 2.85Å; L9-E11 VanDerWaalsContact C-N 3.33Å; L9-E11 PolarHBondContact O-N 3.15Å; E11-R14 PolarHBondContact O-N 3.47Å; E11-R14 IonicContact OE1-NH2 2.68Å; E11-K15 HydrophobicContact CG-CD 4.14Å; E11-K15 WeakPolarHBondContact O-CG 3.42Å; E11-K15 PolarHBondContact O-N 2.95Å; E11-K15 VanDerWaalsContact O-N 3.15Å; E11-K15 WeakPolarHBondContact OE1-CE 3.33Å; E11-K15 IonicContact OE1-NZ 2.69Å; E11-K15 PolarHBondContact OE1-NZ 3.06Å |
| 12 | F | 81.9 | Confident | 75.2 | Confident | 98 Ų | 98 | 105.7 Ų | 105.7 | 43% | 0.43 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -57.2 | -54.9 | 169.3 | 172.1 | -91.8 | 0 | 0 | 0 | 110.1 | S8 L9 R14 K15 Y16 | S8-F12 PolarHBondContact O-N 2.8Å; L9-F12 WeakPolarHBondContact O-CB 3.2Å; L9-F12 PolarHBondContact O-N 3.22Å; F12-R14 VanDerWaalsContact C-N 3.34Å; F12-R14 PolarHBondContact O-N 3.06Å; F12-K15 CarbonylContact O-C 3.4Å; F12-K15 PolarHBondContact O-N 3.16Å; F12-K15 VanDerWaalsContact O-N 3.07Å; F12-Y16 AromaticContact CE1-CD2 3.82Å; F12-Y16 HydrophobicContact CE1-CD2 3.82Å; F12-Y16 HydrophobicContact CE1-CE2 4.26Å; F12-Y16 HydrophobicContact CE1-CG 4.18Å; F12-Y16 HydrophobicContact CE2-CD2 4.21Å; F12-Y16 AromaticContact CZ-CD2 3.52Å; F12-Y16 HydrophobicContact CZ-CD2 3.52Å; F12-Y16 AromaticContact CZ-CE2 3.76Å; F12-Y16 HydrophobicContact CZ-CE2 3.76Å; F12-Y16 HydrophobicContact CZ-CG 4.34Å; F12-Y16 WeakPolarHBondContact O-CB 3.42Å; F12-Y16 PolarHBondContact O-N 3.39Å |
| 13 | W | 79.9 | Confident | 76.5 | Confident | 152 Ų | 152 | 102.7 Ų | 102.7 | 58% | 0.576 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.7 | -38.3 | 179.7 | -74.3 | 115.9 | 0 | 0 | 0 | 112.9 | L9 K15 Y16 | L9-W13 PolarHBondContact O-N 3.37Å; W13-K15 PolarHBondContact O-N 3.13Å; W13-Y16 AromaticContact CE3-CD1 3.96Å; W13-Y16 HydrophobicContact CE3-CD1 3.96Å; W13-Y16 HydrophobicContact CE3-CG 4.27Å; W13-Y16 AromaticContact CZ3-CD1 3.69Å; W13-Y16 HydrophobicContact CZ3-CD1 3.69Å; W13-Y16 AromaticContact CZ3-CE1 3.98Å; W13-Y16 HydrophobicContact CZ3-CE1 3.98Å; W13-Y16 HydrophobicContact CZ3-CG 4.35Å; W13-Y16 PolarHBondContact O-N 3.28Å; W13-Y16 VanDerWaalsContact O-N 3.08Å |
| 14 | R | 76.9 | Confident | 77.7 | Confident | 178 Ų | 178 | 103.5 Ų | 103.5 | 67% | 0.672 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.5 | -30.5 | 175.5 | -170.3 | 175.1 | 71.5 | -121.8 | 5.4 | 112.8 | L10 E11 F12 | L10-R14 WeakPolarHBondContact O-CB 3.47Å; L10-R14 PolarHBondContact O-N 3.4Å; E11-R14 PolarHBondContact O-N 3.47Å; E11-R14 IonicContact OE1-NH2 2.68Å; F12-R14 VanDerWaalsContact C-N 3.34Å; F12-R14 PolarHBondContact O-N 3.06Å |
| 15 | K | 81.2 | Confident | 78.7 | Confident | 117 Ų | 117 | 98 Ų | 98 | 51% | 0.509 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -96.6 | -4.6 | 178.3 | -69.6 | 172 | 171.7 | 168.9 | 0 | 112.9 | E11 F12 W13 Y17 | E11-K15 HydrophobicContact CG-CD 4.14Å; E11-K15 WeakPolarHBondContact O-CG 3.42Å; E11-K15 PolarHBondContact O-N 2.95Å; E11-K15 VanDerWaalsContact O-N 3.15Å; E11-K15 WeakPolarHBondContact OE1-CE 3.33Å; E11-K15 IonicContact OE1-NZ 2.69Å; E11-K15 PolarHBondContact OE1-NZ 3.06Å; F12-K15 CarbonylContact O-C 3.4Å; F12-K15 PolarHBondContact O-N 3.16Å; F12-K15 VanDerWaalsContact O-N 3.07Å; W13-K15 PolarHBondContact O-N 3.13Å; K15-Y17 WeakPolarHBondContact O-CD2 3.5Å; K15-Y17 PolarHBondContact O-N 3.31Å |
| 16 | Y | 79.6 | Confident | 79.3 | Confident | 55 Ų | 55 | 99 Ų | 99 | 22% | 0.216 | 49% | 0.488 | C | S | . | . | trans | -84.5 | 103.8 | -175 | -165.3 | -106.3 | 0 | 0 | 0 | 110.4 | F12 W13 S20 A21 N24 | F12-Y16 AromaticContact CE1-CD2 3.82Å; F12-Y16 HydrophobicContact CE1-CD2 3.82Å; F12-Y16 HydrophobicContact CE1-CE2 4.26Å; F12-Y16 HydrophobicContact CE1-CG 4.18Å; F12-Y16 HydrophobicContact CE2-CD2 4.21Å; F12-Y16 AromaticContact CZ-CD2 3.52Å; F12-Y16 HydrophobicContact CZ-CD2 3.52Å; F12-Y16 AromaticContact CZ-CE2 3.76Å; F12-Y16 HydrophobicContact CZ-CE2 3.76Å; F12-Y16 HydrophobicContact CZ-CG 4.34Å; F12-Y16 WeakPolarHBondContact O-CB 3.42Å; F12-Y16 PolarHBondContact O-N 3.39Å; W13-Y16 AromaticContact CE3-CD1 3.96Å; W13-Y16 HydrophobicContact CE3-CD1 3.96Å; W13-Y16 HydrophobicContact CE3-CG 4.27Å; W13-Y16 AromaticContact CZ3-CD1 3.69Å; W13-Y16 HydrophobicContact CZ3-CD1 3.69Å; W13-Y16 AromaticContact CZ3-CE1 3.98Å; W13-Y16 HydrophobicContact CZ3-CE1 3.98Å; W13-Y16 HydrophobicContact CZ3-CG 4.35Å; W13-Y16 PolarHBondContact O-N 3.28Å; W13-Y16 VanDerWaalsContact O-N 3.08Å; Y16-S20 PolarHBondContact OH-O 2.91Å; Y16-A21 HydrophobicContact CD1-CB 4.27Å; Y16-A21 VanDerWaalsContact CE1-CA 3.5Å; Y16-A21 HydrophobicContact CE1-CB 3.49Å; Y16-A21 VanDerWaalsContact CE1-CB 3.49Å; Y16-A21 WeakPolarHBondContact OH-CA 3.4Å; Y16-N24 PolarHBondContact OH-ND2 3.39Å | ||
| 17 | Y | 82.1 | Confident | 79.8 | Confident | 178 Ų | 178 | 102 Ų | 102 | 70% | 0.698 | 49% | 0.485 | S | S | * | . | trans | -71.7 | 145 | -180 | -65 | -79.3 | 0 | 0 | 0 | 111.4 | K15 R19 S20 A21 | K15-Y17 WeakPolarHBondContact O-CD2 3.5Å; K15-Y17 PolarHBondContact O-N 3.31Å; Y17-R19 PolarHBondContact O-N 2.68Å; Y17-R19 VanDerWaalsContact O-N 3.12Å; Y17-S20 WeakPolarHBondContact O-CA 3.27Å; Y17-S20 VanDerWaalsContact O-CB 3.28Å; Y17-S20 WeakPolarHBondContact O-CB 3.21Å; Y17-S20 PolarHBondContact O-N 2.93Å; Y17-A21 PolarHBondContact O-N 3.47Å; Y17-A21 VanDerWaalsContact O-N 3.11Å | ||
| 18 | V | 79 | Confident | 79.8 | Confident | 114 Ų | 114 | 100.6 Ų | 100.6 | 69% | 0.691 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -53.3 | -35.6 | 174.5 | 175.1 | 0 | 0 | 0 | 0 | 111.6 | S20 A21 I22 | V18-S20 PolarHBondContact O-N 3.46Å; V18-A21 VanDerWaalsContact O-CB 3.26Å; V18-A21 WeakPolarHBondContact O-CB 3.37Å; V18-A21 PolarHBondContact O-N 2.87Å; V18-A21 VanDerWaalsContact O-N 3.16Å; V18-I22 HydrophobicContact CG1-CD1 4.05Å; V18-I22 HydrophobicContact CG1-CG1 4.49Å; V18-I22 WeakPolarHBondContact O-CG1 3.42Å; V18-I22 PolarHBondContact O-N 3.25Å |
| 19 | R | 77.9 | Confident | 79.6 | Confident | 177 Ų | 177 | 103.3 Ų | 103.3 | 67% | 0.668 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -58.9 | -45.4 | 173.5 | -177.4 | 177.9 | 174.9 | -130.1 | -8.3 | 112.2 | Y17 A21 I22 E23 | Y17-R19 PolarHBondContact O-N 2.68Å; Y17-R19 VanDerWaalsContact O-N 3.12Å; R19-A21 VanDerWaalsContact C-N 3.26Å; R19-A21 PolarHBondContact O-N 2.92Å; R19-I22 PolarHBondContact O-N 3.3Å; R19-E23 HydrophobicContact CG-CG 4.49Å; R19-E23 IonicContact CZ-OE1 2.92Å; R19-E23 IonicContact NE-OE1 3.69Å; R19-E23 PolarHBondContact NE-OE1 3.08Å; R19-E23 IonicContact NH2-OE1 3.01Å; R19-E23 PolarHBondContact NH2-OE1 2.94Å; R19-E23 WeakPolarHBondContact O-CG 3.28Å; R19-E23 PolarHBondContact O-N 3.16Å |
| 20 | S | 81.2 | Confident | 79.9 | Confident | 39 Ų | 39 | 103.5 Ų | 103.5 | 27% | 0.273 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.2 | -36.3 | 175.9 | -56.4 | 0 | 0 | 0 | 0 | 111.5 | Y16 Y17 V18 N24 | Y16-S20 PolarHBondContact OH-O 2.91Å; Y17-S20 WeakPolarHBondContact O-CA 3.27Å; Y17-S20 VanDerWaalsContact O-CB 3.28Å; Y17-S20 WeakPolarHBondContact O-CB 3.21Å; Y17-S20 PolarHBondContact O-N 2.93Å; V18-S20 PolarHBondContact O-N 3.46Å; S20-N24 VanDerWaalsContact O-CB 3.28Å; S20-N24 WeakPolarHBondContact O-CB 3.4Å; S20-N24 PolarHBondContact O-N 3.39Å |
| 21 | A | 77.2 | Confident | 80.3 | Confident | 34 Ų | 34 | 103.5 Ų | 103.5 | 28% | 0.281 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59.7 | -51.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y16 Y17 V18 R19 E23 N24 V25 | Y16-A21 HydrophobicContact CD1-CB 4.27Å; Y16-A21 VanDerWaalsContact CE1-CA 3.5Å; Y16-A21 HydrophobicContact CE1-CB 3.49Å; Y16-A21 VanDerWaalsContact CE1-CB 3.49Å; Y16-A21 WeakPolarHBondContact OH-CA 3.4Å; Y17-A21 PolarHBondContact O-N 3.47Å; Y17-A21 VanDerWaalsContact O-N 3.11Å; V18-A21 VanDerWaalsContact O-CB 3.26Å; V18-A21 WeakPolarHBondContact O-CB 3.37Å; V18-A21 PolarHBondContact O-N 2.87Å; V18-A21 VanDerWaalsContact O-N 3.16Å; R19-A21 VanDerWaalsContact C-N 3.26Å; R19-A21 PolarHBondContact O-N 2.92Å; A21-E23 PolarHBondContact O-N 3.12Å; A21-N24 PolarHBondContact O-N 3.24Å; A21-V25 WeakPolarHBondContact O-CG2 3.28Å; A21-V25 PolarHBondContact O-N 2.96Å |
| 22 | I | 72.6 | Confident | 80.3 | Confident | 76 Ų | 76 | 103.5 Ų | 103.5 | 39% | 0.39 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.1 | -45.4 | 179.7 | -65.1 | 166.2 | 0 | 0 | 0 | 110.7 | V18 R19 N24 V25 H26 | V18-I22 HydrophobicContact CG1-CD1 4.05Å; V18-I22 HydrophobicContact CG1-CG1 4.49Å; V18-I22 WeakPolarHBondContact O-CG1 3.42Å; V18-I22 PolarHBondContact O-N 3.25Å; R19-I22 PolarHBondContact O-N 3.3Å; I22-N24 VanDerWaalsContact C-N 3.34Å; I22-N24 PolarHBondContact O-N 3.41Å; I22-V25 PolarHBondContact O-N 3.11Å; I22-H26 WeakPolarHBondContact O-CB 3.36Å; I22-H26 PolarHBondContact O-N 3.45Å |
| 23 | E | 83.1 | Confident | 80.3 | Confident | 76 Ų | 76 | 102 Ų | 102 | 36% | 0.355 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.1 | -38.2 | 178.8 | -73.5 | 176.1 | 174.4 | 0 | 0 | 112.2 | R19 A21 H26 R27 | R19-E23 HydrophobicContact CG-CG 4.49Å; R19-E23 IonicContact CZ-OE1 2.92Å; R19-E23 IonicContact NE-OE1 3.69Å; R19-E23 PolarHBondContact NE-OE1 3.08Å; R19-E23 IonicContact NH2-OE1 3.01Å; R19-E23 PolarHBondContact NH2-OE1 2.94Å; R19-E23 WeakPolarHBondContact O-CG 3.28Å; R19-E23 PolarHBondContact O-N 3.16Å; A21-E23 PolarHBondContact O-N 3.12Å; E23-H26 PolarHBondContact O-N 2.94Å; E23-R27 WeakPolarHBondContact O-CB 3.36Å; E23-R27 PolarHBondContact O-N 2.89Å |
| 24 | N | 83.3 | Confident | 80.2 | Confident | 64 Ų | 64 | 97.1 Ų | 97.1 | 34% | 0.342 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -69.7 | -41 | 176.6 | -79.9 | -8.1 | 0 | 0 | 0 | 112.3 | Y16 S20 A21 I22 H26 R27 A28 | Y16-N24 PolarHBondContact OH-ND2 3.39Å; S20-N24 VanDerWaalsContact O-CB 3.28Å; S20-N24 WeakPolarHBondContact O-CB 3.4Å; S20-N24 PolarHBondContact O-N 3.39Å; A21-N24 PolarHBondContact O-N 3.24Å; I22-N24 VanDerWaalsContact C-N 3.34Å; I22-N24 PolarHBondContact O-N 3.41Å; N24-H26 VanDerWaalsContact C-N 3.34Å; N24-R27 PolarHBondContact O-N 3.48Å; N24-R27 PolarHBondContact OD1-NH2 3.46Å; N24-A28 WeakPolarHBondContact O-CB 3.39Å; N24-A28 PolarHBondContact O-N 3.07Å |
| 25 | V | 78.1 | Confident | 80.3 | Confident | 97 Ų | 97 | 93 Ų | 93 | 59% | 0.588 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -62 | -45.1 | 172.9 | 171.8 | 0 | 0 | 0 | 0 | 110.4 | A21 I22 R27 A28 W29 | A21-V25 WeakPolarHBondContact O-CG2 3.28Å; A21-V25 PolarHBondContact O-N 2.96Å; I22-V25 PolarHBondContact O-N 3.11Å; V25-R27 PolarHBondContact O-N 3.41Å; V25-A28 PolarHBondContact O-N 2.86Å; V25-W29 VanDerWaalsContact O-CB 3.29Å; V25-W29 WeakPolarHBondContact O-CB 3.37Å; V25-W29 PolarHBondContact O-N 2.92Å |
| 26 | H | 79.5 | Confident | 80.3 | Confident | 89 Ų | 89 | 96 Ų | 96 | 41% | 0.412 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.8 | -46.2 | 178 | 178.8 | 62.9 | 0 | 0 | 0 | 111.9 | I22 E23 N24 W29 Q30 | I22-H26 WeakPolarHBondContact O-CB 3.36Å; I22-H26 PolarHBondContact O-N 3.45Å; E23-H26 PolarHBondContact O-N 2.94Å; N24-H26 VanDerWaalsContact C-N 3.34Å; H26-W29 WeakPolarHBondContact O-CB 3.37Å; H26-W29 PolarHBondContact O-N 3.21Å; H26-Q30 PolarHBondContact CE1-NE2 3.27Å; H26-Q30 WeakPolarHBondContact O-CG 3.29Å; H26-Q30 PolarHBondContact O-N 3.44Å |
| 27 | R | 82.4 | Confident | 80.2 | Confident | 135 Ų | 135 | 94.8 Ų | 94.8 | 51% | 0.509 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.9 | -49.3 | 177.2 | -167.8 | -164 | -30.4 | -110.6 | -2.2 | 111.6 | E23 N24 V25 W29 Q30 E31 | E23-R27 WeakPolarHBondContact O-CB 3.36Å; E23-R27 PolarHBondContact O-N 2.89Å; N24-R27 PolarHBondContact O-N 3.48Å; N24-R27 PolarHBondContact OD1-NH2 3.46Å; V25-R27 PolarHBondContact O-N 3.41Å; R27-W29 PolarHBondContact O-N 3.22Å; R27-Q30 WeakPolarHBondContact O-CB 3.42Å; R27-Q30 PolarHBondContact O-N 3Å; R27-E31 PolarHBondContact O-N 3.02Å; R27-E31 VanDerWaalsContact O-N 3.16Å |
| 28 | A | 81.4 | Confident | 80 | Confident | 49 Ų | 49 | 93.2 Ų | 93.2 | 41% | 0.405 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -56.9 | -42.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | N24 V25 Q30 E31 V32 | N24-A28 WeakPolarHBondContact O-CB 3.39Å; N24-A28 PolarHBondContact O-N 3.07Å; V25-A28 PolarHBondContact O-N 2.86Å; A28-Q30 VanDerWaalsContact C-N 3.32Å; A28-Q30 PolarHBondContact O-N 3.38Å; A28-E31 PolarHBondContact O-N 3.49Å; A28-V32 WeakPolarHBondContact O-CG2 3.32Å; A28-V32 PolarHBondContact O-N 3.46Å; A28-V32 VanDerWaalsContact O-N 3.13Å |
| 29 | W | 80.3 | Confident | 79.8 | Confident | 118 Ų | 118 | 91.6 Ų | 91.6 | 45% | 0.447 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.1 | -35 | 177 | -164.9 | -80.3 | 0 | 0 | 0 | 113.5 | V25 H26 R27 E31 V32 L37 W41 | V25-W29 VanDerWaalsContact O-CB 3.29Å; V25-W29 WeakPolarHBondContact O-CB 3.37Å; V25-W29 PolarHBondContact O-N 2.92Å; H26-W29 WeakPolarHBondContact O-CB 3.37Å; H26-W29 PolarHBondContact O-N 3.21Å; R27-W29 PolarHBondContact O-N 3.22Å; W29-E31 VanDerWaalsContact C-N 3.29Å; W29-V32 PolarHBondContact O-N 2.9Å; W29-L37 HydrophobicContact CD2-CD2 3.79Å; W29-L37 HydrophobicContact CE3-CD2 4.03Å; W29-L37 HydrophobicContact CH2-CD2 3.52Å; W29-L37 HydrophobicContact CZ2-CD2 3.24Å; W29-L37 HydrophobicContact CZ3-CD2 3.9Å; W29-W41 HydrophobicContact CH2-CZ2 4.22Å; W29-W41 AromaticContact CH2-NE1 3.67Å; W29-W41 AromaticContact CZ2-NE1 3.7Å |
| 30 | Q | 83.7 | Confident | 79.8 | Confident | 129 Ų | 129 | 85.4 Ų | 85.4 | 60% | 0.603 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -70.7 | -26.2 | 174.3 | -64.6 | -52.6 | -62.9 | 0 | 0 | 112.7 | H26 R27 A28 | H26-Q30 PolarHBondContact CE1-NE2 3.27Å; H26-Q30 WeakPolarHBondContact O-CG 3.29Å; H26-Q30 PolarHBondContact O-N 3.44Å; R27-Q30 WeakPolarHBondContact O-CB 3.42Å; R27-Q30 PolarHBondContact O-N 3Å; A28-Q30 VanDerWaalsContact C-N 3.32Å; A28-Q30 PolarHBondContact O-N 3.38Å |
| 31 | E | 84.9 | Confident | 79.6 | Confident | 143 Ų | 143 | 89.9 Ų | 89.9 | 67% | 0.668 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -83.3 | -18.9 | 178.2 | -68.4 | 174.1 | -165.2 | 0 | 0 | 112.5 | R27 A28 W29 P33 | R27-E31 PolarHBondContact O-N 3.02Å; R27-E31 VanDerWaalsContact O-N 3.16Å; A28-E31 PolarHBondContact O-N 3.49Å; W29-E31 VanDerWaalsContact C-N 3.29Å; E31-P33 VanDerWaalsContact O-CD 3.27Å; E31-P33 WeakPolarHBondContact O-CD 3.43Å |
| 32 | V | 80.4 | Confident | 79.4 | Confident | 56 Ų | 56 | 90.5 Ų | 90.5 | 34% | 0.339 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -74 | 121 | 176.2 | -174 | 0 | 0 | 0 | 0 | 110 | A28 W29 R36 L37 | A28-V32 WeakPolarHBondContact O-CG2 3.32Å; A28-V32 PolarHBondContact O-N 3.46Å; A28-V32 VanDerWaalsContact O-N 3.13Å; W29-V32 PolarHBondContact O-N 2.9Å; V32-R36 HydrophobicContact CG1-CB 3.65Å; V32-L37 HydrophobicContact CB-CD1 4.21Å; V32-L37 HydrophobicContact CB-CG 4.02Å; V32-L37 HydrophobicContact CG1-CD1 4.37Å; V32-L37 HydrophobicContact CG1-CD2 4.46Å; V32-L37 HydrophobicContact CG1-CG 3.74Å |
| 33 | P | 80.9 | Confident | 79.5 | Confident | 67 Ų | 67 | 88.8 Ų | 88.8 | 44% | 0.435 | 45% | 0.454 | S | S | . | . | trans | -58.2 | 143.4 | 174.4 | -26.7 | 37.6 | 0 | 0 | 0 | 112.2 | E31 N35 R36 L37 | E31-P33 VanDerWaalsContact O-CD 3.27Å; E31-P33 WeakPolarHBondContact O-CD 3.43Å; P33-N35 WeakPolarHBondContact CB-OD1 3.45Å; P33-N35 PolarHBondContact O-N 3.12Å; P33-N35 VanDerWaalsContact O-N 3.12Å; P33-R36 PolarHBondContact O-N 2.99Å; P33-L37 PolarHBondContact O-N 2.97Å; P33-L37 VanDerWaalsContact O-N 3.15Å | ||
| 34 | G | 77.9 | Confident | 79.1 | Confident | 48 Ų | 48 | 89 Ų | 89 | 50% | 0.495 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -57.7 | -30.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | R38 | G34-R38 WeakPolarHBondContact O-CB 3.45Å; G34-R38 PolarHBondContact O-N 2.85Å |
| 35 | N | 80.4 | Confident | 78.4 | Confident | 91 Ų | 91 | 90.3 Ų | 90.3 | 49% | 0.487 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -66.5 | -41.3 | 174.7 | 61.9 | -15.9 | 0 | 0 | 0 | 112.4 | P33 R38 S39 | P33-N35 WeakPolarHBondContact CB-OD1 3.45Å; P33-N35 PolarHBondContact O-N 3.12Å; P33-N35 VanDerWaalsContact O-N 3.12Å; N35-R38 PolarHBondContact O-N 2.99Å; N35-S39 PolarHBondContact O-N 3.15Å |
| 36 | R | 80.1 | Confident | 78.1 | Confident | 181 Ų | 181 | 93.9 Ų | 93.9 | 68% | 0.683 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -66.1 | -42.3 | 175.6 | -67.4 | -165.3 | -179 | -162.1 | -2.1 | 111.6 | V32 P33 R38 S39 A40 | V32-R36 HydrophobicContact CG1-CB 3.65Å; P33-R36 PolarHBondContact O-N 2.99Å; R36-R38 VanDerWaalsContact C-N 3.34Å; R36-R38 PolarHBondContact O-N 2.8Å; R36-S39 PolarHBondContact O-N 2.91Å; R36-A40 WeakPolarHBondContact O-CB 3.41Å; R36-A40 PolarHBondContact O-N 3.24Å |
| 37 | L | 78.6 | Confident | 77.8 | Confident | 30 Ų | 30 | 97 Ų | 97 | 16% | 0.157 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -59.3 | -45.1 | 174.1 | -86.1 | 165 | 0 | 0 | 0 | 111.8 | W29 V32 P33 A40 W41 | W29-L37 HydrophobicContact CD2-CD2 3.79Å; W29-L37 HydrophobicContact CE3-CD2 4.03Å; W29-L37 HydrophobicContact CH2-CD2 3.52Å; W29-L37 HydrophobicContact CZ2-CD2 3.24Å; W29-L37 HydrophobicContact CZ3-CD2 3.9Å; V32-L37 HydrophobicContact CB-CD1 4.21Å; V32-L37 HydrophobicContact CB-CG 4.02Å; V32-L37 HydrophobicContact CG1-CD1 4.37Å; V32-L37 HydrophobicContact CG1-CD2 4.46Å; V32-L37 HydrophobicContact CG1-CG 3.74Å; P33-L37 PolarHBondContact O-N 2.97Å; P33-L37 VanDerWaalsContact O-N 3.15Å; L37-A40 PolarHBondContact O-N 2.98Å; L37-W41 WeakPolarHBondContact O-CB 3.26Å; L37-W41 VanDerWaalsContact O-CD1 3.26Å; L37-W41 PolarHBondContact O-N 3.36Å |
| 38 | R | 76.2 | Confident | 77 | Confident | 144 Ų | 144 | 98.7 Ų | 98.7 | 54% | 0.543 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.6 | -46 | 177.1 | -168.2 | -179.4 | -62.1 | 130 | 0.4 | 111.4 | G34 N35 R36 W41 S42 | G34-R38 WeakPolarHBondContact O-CB 3.45Å; G34-R38 PolarHBondContact O-N 2.85Å; N35-R38 PolarHBondContact O-N 2.99Å; R36-R38 VanDerWaalsContact C-N 3.34Å; R36-R38 PolarHBondContact O-N 2.8Å; R38-W41 PolarHBondContact O-N 3.5Å; R38-S42 WeakPolarHBondContact O-CB 3.47Å; R38-S42 PolarHBondContact O-N 2.85Å; R38-S42 PolarHBondContact O-OG 2.86Å; R38-S42 VanDerWaalsContact O-OG 3.11Å |
| 39 | S | 76.7 | Confident | 76.1 | Confident | 80 Ų | 80 | 101.9 Ų | 101.9 | 56% | 0.559 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.8 | -45.2 | 176.8 | -176.5 | 0 | 0 | 0 | 0 | 112.3 | N35 R36 W41 S42 S43 | N35-S39 PolarHBondContact O-N 3.15Å; R36-S39 PolarHBondContact O-N 2.91Å; S39-W41 PolarHBondContact O-N 3.47Å; S39-S42 PolarHBondContact O-N 3.18Å; S39-S43 WeakPolarHBondContact O-CB 3.47Å; S39-S43 PolarHBondContact O-N 3.39Å |
| 40 | A | 76.8 | Confident | 75.1 | Confident | 48 Ų | 48 | 99.2 Ų | 99.2 | 40% | 0.397 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.8 | -46.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | R36 L37 S43 I44 | R36-A40 WeakPolarHBondContact O-CB 3.41Å; R36-A40 PolarHBondContact O-N 3.24Å; L37-A40 PolarHBondContact O-N 2.98Å; A40-S43 WeakPolarHBondContact O-CB 3.42Å; A40-S43 PolarHBondContact O-N 3.07Å; A40-I44 VanDerWaalsContact O-CG1 3.3Å; A40-I44 WeakPolarHBondContact O-CG1 3.28Å; A40-I44 PolarHBondContact O-N 2.99Å |
| 41 | W | 76.4 | Confident | 73.8 | Confident | 132 Ų | 132 | 98.5 Ų | 98.5 | 50% | 0.5 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.1 | -45.2 | 175.7 | -86.2 | 116.1 | 0 | 0 | 0 | 112.7 | W29 L37 R38 S39 S43 I44 L45 | W29-W41 HydrophobicContact CH2-CZ2 4.22Å; W29-W41 AromaticContact CH2-NE1 3.67Å; W29-W41 AromaticContact CZ2-NE1 3.7Å; L37-W41 WeakPolarHBondContact O-CB 3.26Å; L37-W41 VanDerWaalsContact O-CD1 3.26Å; L37-W41 PolarHBondContact O-N 3.36Å; R38-W41 PolarHBondContact O-N 3.5Å; S39-W41 PolarHBondContact O-N 3.47Å; W41-S43 VanDerWaalsContact C-N 3.26Å; W41-S43 PolarHBondContact O-N 2.7Å; W41-I44 HydrophobicContact CZ3-CG2 4.49Å; W41-I44 PolarHBondContact O-N 3.41Å; W41-L45 VanDerWaalsContact O-CB 3.3Å; W41-L45 WeakPolarHBondContact O-CB 3.42Å; W41-L45 VanDerWaalsContact O-CG 3.28Å; W41-L45 WeakPolarHBondContact O-CG 3.36Å; W41-L45 PolarHBondContact O-N 3.27Å |
| 42 | S | 73.5 | Confident | 72.2 | Confident | 47 Ų | 47 | 95.9 Ų | 95.9 | 33% | 0.329 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.7 | -37.6 | 174.6 | -65.7 | 0 | 0 | 0 | 0 | 111.9 | R38 S39 R46 | R38-S42 WeakPolarHBondContact O-CB 3.47Å; R38-S42 PolarHBondContact O-N 2.85Å; R38-S42 PolarHBondContact O-OG 2.86Å; R38-S42 VanDerWaalsContact O-OG 3.11Å; S39-S42 PolarHBondContact O-N 3.18Å; S42-R46 WeakPolarHBondContact O-CB 3.44Å; S42-R46 PolarHBondContact O-N 3.35Å |
| 43 | S | 75.5 | Confident | 70.6 | Confident | 41 Ų | 41 | 99.4 Ų | 99.4 | 29% | 0.287 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.2 | -47.6 | 175.5 | -167.7 | 0 | 0 | 0 | 0 | 112.2 | S39 A40 W41 R46 R47 | S39-S43 WeakPolarHBondContact O-CB 3.47Å; S39-S43 PolarHBondContact O-N 3.39Å; A40-S43 WeakPolarHBondContact O-CB 3.42Å; A40-S43 PolarHBondContact O-N 3.07Å; W41-S43 VanDerWaalsContact C-N 3.26Å; W41-S43 PolarHBondContact O-N 2.7Å; S43-R46 PolarHBondContact O-N 3.37Å; S43-R47 WeakPolarHBondContact O-CB 3.38Å; S43-R47 PolarHBondContact O-N 2.96Å |
| 44 | I | 75 | Confident | 69.4 | Low | 81 Ų | 81 | 99 Ų | 99 | 42% | 0.415 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.2 | -48.2 | 177 | -68.9 | 164.6 | 0 | 0 | 0 | 110.5 | A40 W41 R47 R48 | A40-I44 VanDerWaalsContact O-CG1 3.3Å; A40-I44 WeakPolarHBondContact O-CG1 3.28Å; A40-I44 PolarHBondContact O-N 2.99Å; W41-I44 HydrophobicContact CZ3-CG2 4.49Å; W41-I44 PolarHBondContact O-N 3.41Å; I44-R47 PolarHBondContact O-N 3.39Å; I44-R48 WeakPolarHBondContact O-CB 3.31Å; I44-R48 WeakPolarHBondContact O-CG 3.2Å; I44-R48 PolarHBondContact O-N 3.11Å |
| 45 | L | 68.3 | Low | 68.2 | Low | 91 Ų | 91 | 98.1 Ų | 98.1 | 48% | 0.476 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.2 | -45.1 | 179.2 | -75.5 | 173.6 | 0 | 0 | 0 | 111.5 | W41 R48 M49 | W41-L45 VanDerWaalsContact O-CB 3.3Å; W41-L45 WeakPolarHBondContact O-CB 3.42Å; W41-L45 VanDerWaalsContact O-CG 3.28Å; W41-L45 WeakPolarHBondContact O-CG 3.36Å; W41-L45 PolarHBondContact O-N 3.27Å; L45-R48 PolarHBondContact O-N 2.9Å; L45-M49 HydrophobicContact CB-CE 4.02Å; L45-M49 WeakPolarHBondContact O-CB 3.3Å; L45-M49 WeakPolarHBondContact O-CG 3.3Å; L45-M49 PolarHBondContact O-N 3.33Å |
| 46 | R | 70.9 | Confident | 67 | Low | 171 Ų | 171 | 102.2 Ų | 102.2 | 65% | 0.645 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64 | -40.3 | 176.6 | 176.3 | 171 | 40.8 | 131.9 | 0.2 | 112.2 | S42 S43 M49 G50 | S42-R46 WeakPolarHBondContact O-CB 3.44Å; S42-R46 PolarHBondContact O-N 3.35Å; S43-R46 PolarHBondContact O-N 3.37Å; R46-M49 PolarHBondContact O-N 2.84Å; R46-G50 WeakPolarHBondContact O-CA 3.45Å; R46-G50 PolarHBondContact O-N 3.3Å |
| 47 | R | 73.9 | Confident | 66.2 | Low | 156 Ų | 156 | 96.7 Ų | 96.7 | 59% | 0.589 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.2 | -47 | 175.2 | -173.4 | 179.4 | -64.6 | 158.4 | -2.3 | 110.4 | S43 I44 G50 E51 | S43-R47 WeakPolarHBondContact O-CB 3.38Å; S43-R47 PolarHBondContact O-N 2.96Å; I44-R47 PolarHBondContact O-N 3.39Å; R47-G50 PolarHBondContact O-N 2.87Å; R47-E51 HydrophobicContact CG-CG 4.39Å; R47-E51 WeakPolarHBondContact CG-OE1 3.43Å; R47-E51 VanDerWaalsContact O-CB 3.25Å; R47-E51 WeakPolarHBondContact O-CB 3.12Å; R47-E51 WeakPolarHBondContact O-CG 3.39Å; R47-E51 PolarHBondContact O-N 3.36Å |
| 48 | R | 66.1 | Low | 65.5 | Low | 169 Ų | 169 | 101.6 Ų | 101.6 | 64% | 0.638 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.3 | -40.2 | 177.8 | -71.7 | -66.2 | -167.1 | -136.2 | 5 | 113.6 | I44 L45 E51 Q52 | I44-R48 WeakPolarHBondContact O-CB 3.31Å; I44-R48 WeakPolarHBondContact O-CG 3.2Å; I44-R48 PolarHBondContact O-N 3.11Å; L45-R48 PolarHBondContact O-N 2.9Å; R48-E51 IonicContact NH1-OE2 3.54Å; R48-Q52 PolarHBondContact O-N 3.48Å |
| 49 | M | 61.1 | Low | 65.1 | Low | 117 Ų | 117 | 97.9 Ų | 97.9 | 58% | 0.576 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -72.3 | -38.2 | 176.8 | -76 | -169.2 | -84.2 | 0 | 0 | 112.1 | L45 R46 Q52 | L45-M49 HydrophobicContact CB-CE 4.02Å; L45-M49 WeakPolarHBondContact O-CB 3.3Å; L45-M49 WeakPolarHBondContact O-CG 3.3Å; L45-M49 PolarHBondContact O-N 3.33Å; R46-M49 PolarHBondContact O-N 2.84Å; M49-Q52 CarbonylContact O-C 3.58Å; M49-Q52 PolarHBondContact O-N 2.92Å |
| 50 | G | 60.4 | Low | 64.9 | Low | 61 Ų | 61 | 97.2 Ų | 97.2 | 63% | 0.629 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -69.9 | -33.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | R46 R47 Q52 | R46-G50 WeakPolarHBondContact O-CA 3.45Å; R46-G50 PolarHBondContact O-N 3.3Å; R47-G50 PolarHBondContact O-N 2.87Å; G50-Q52 VanDerWaalsContact C-N 3.3Å; G50-Q52 PolarHBondContact O-N 3.27Å |
| 51 | E | 57.1 | Low | 65 | Low | 115 Ų | 115 | 98.6 Ų | 98.6 | 54% | 0.537 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -73.3 | -18.9 | 176.7 | -77.4 | 169.5 | -179.5 | 0 | 0 | 113.2 | R47 R48 | R47-E51 HydrophobicContact CG-CG 4.39Å; R47-E51 WeakPolarHBondContact CG-OE1 3.43Å; R47-E51 VanDerWaalsContact O-CB 3.25Å; R47-E51 WeakPolarHBondContact O-CB 3.12Å; R47-E51 WeakPolarHBondContact O-CG 3.39Å; R47-E51 PolarHBondContact O-N 3.36Å; R48-E51 IonicContact NH1-OE2 3.54Å |
| 52 | Q | 50.1 | Low | 65 | Low | 88 Ų | 88 | 94.1 Ų | 94.1 | 41% | 0.411 | 51% | 0.505 | S | S | . | . | trans | -123.7 | 86.4 | 173.8 | -85 | -163 | 14.3 | 0 | 0 | 112.1 | R48 M49 G50 G54 S55 | R48-Q52 PolarHBondContact O-N 3.48Å; M49-Q52 CarbonylContact O-C 3.58Å; M49-Q52 PolarHBondContact O-N 2.92Å; G50-Q52 VanDerWaalsContact C-N 3.3Å; G50-Q52 PolarHBondContact O-N 3.27Å; Q52-G54 PolarHBondContact O-N 3.48Å; Q52-S55 PolarHBondContact O-N 3.09Å; Q52-S55 VanDerWaalsContact O-N 3.17Å; Q52-S55 PolarHBondContact OE1-OG 3.25Å | ||
| 53 | P | 47.6 | Very low | 65.3 | Low | 130 Ų | 130 | 92 Ų | 92 | 84% | 0.844 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | 85.6 | 158.6 | 27.6 | -29.7 | 0 | 0 | 0 | 108.3 | ||
| 54 | G | 54.1 | Low | 65.7 | Low | 59 Ų | 59 | 95.9 Ų | 95.9 | 61% | 0.608 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 147.8 | -7.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q52 F56 | Q52-G54 PolarHBondContact O-N 3.48Å; G54-F56 PolarHBondContact O-N 2.96Å |
| 55 | S | 54 | Low | 66.2 | Low | 28 Ų | 28 | 96.5 Ų | 96.5 | 20% | 0.196 | 50% | 0.504 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | 16.1 | -176.6 | -175.2 | 0 | 0 | 0 | 0 | 116.1 | Q52 A57 F58 F59 | Q52-S55 PolarHBondContact O-N 3.09Å; Q52-S55 VanDerWaalsContact O-N 3.17Å; Q52-S55 PolarHBondContact OE1-OG 3.25Å; S55-A57 PolarHBondContact O-N 3.32Å; S55-A57 VanDerWaalsContact O-N 3.13Å; S55-F58 PolarHBondContact O-N 3.29Å; S55-F58 VanDerWaalsContact O-N 3.08Å; S55-F58 WeakPolarHBondContact OG-CB 3.1Å; S55-F59 PolarHBondContact O-N 2.99Å; S55-F59 VanDerWaalsContact O-N 3.11Å |
| 56 | F | 55.1 | Low | 66.7 | Low | 177 Ų | 177 | 96.4 Ų | 96.4 | 78% | 0.776 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -56.1 | -30.2 | 172.3 | -87.8 | -83.9 | 0 | 0 | 0 | 111.4 | G54 F59 S60 | G54-F56 PolarHBondContact O-N 2.96Å; F56-F59 PolarHBondContact O-N 3.09Å; F56-S60 PolarHBondContact O-N 3.31Å |
| 57 | A | 62.2 | Low | 67.3 | Low | 65 Ų | 65 | 88.7 Ų | 88.7 | 54% | 0.537 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.8 | -50.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S55 F59 S60 V61 | S55-A57 PolarHBondContact O-N 3.32Å; S55-A57 VanDerWaalsContact O-N 3.13Å; A57-F59 VanDerWaalsContact C-N 3.31Å; A57-F59 PolarHBondContact O-N 3.24Å; A57-S60 PolarHBondContact O-N 2.85Å; A57-S60 PolarHBondContact O-OG 2.89Å; A57-V61 WeakPolarHBondContact O-CG2 3.44Å; A57-V61 PolarHBondContact O-N 3.36Å; A57-V61 VanDerWaalsContact O-N 3.13Å |
| 58 | F | 64.4 | Low | 67.9 | Low | 134 Ų | 134 | 85.9 Ų | 85.9 | 59% | 0.588 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -66 | -34.6 | 178.4 | -80.8 | -83.4 | 0 | 0 | 0 | 112.5 | S55 V61 A62 | S55-F58 PolarHBondContact O-N 3.29Å; S55-F58 VanDerWaalsContact O-N 3.08Å; S55-F58 WeakPolarHBondContact OG-CB 3.1Å; F58-V61 PolarHBondContact O-N 3.29Å; F58-A62 WeakPolarHBondContact O-CB 3.2Å; F58-A62 PolarHBondContact O-N 3.23Å |
| 59 | F | 68.4 | Low | 68.7 | Low | 65 Ų | 65 | 81.4 Ų | 81.4 | 29% | 0.285 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.5 | -48.8 | 177.1 | -173.2 | -98.3 | 0 | 0 | 0 | 111 | S55 F56 A57 V61 A62 V63 E85 L88 | S55-F59 PolarHBondContact O-N 2.99Å; S55-F59 VanDerWaalsContact O-N 3.11Å; F56-F59 PolarHBondContact O-N 3.09Å; A57-F59 VanDerWaalsContact C-N 3.31Å; A57-F59 PolarHBondContact O-N 3.24Å; F59-V61 VanDerWaalsContact C-N 3.3Å; F59-V61 PolarHBondContact O-N 3.47Å; F59-A62 PolarHBondContact O-N 3.45Å; F59-V63 HydrophobicContact CD1-CG2 3.92Å; F59-V63 HydrophobicContact CE1-CG2 3.59Å; F59-V63 HydrophobicContact CE2-CG2 4.31Å; F59-V63 HydrophobicContact CG-CG2 4.41Å; F59-V63 HydrophobicContact CZ-CG2 3.82Å; F59-V63 WeakPolarHBondContact O-CB 3.49Å; F59-V63 VanDerWaalsContact O-CG2 3.28Å; F59-V63 WeakPolarHBondContact O-CG2 3.4Å; F59-V63 PolarHBondContact O-N 2.94Å; F59-E85 HydrophobicContact CE1-CG 4.32Å; F59-L88 HydrophobicContact CE2-CD1 3.77Å; F59-L88 HydrophobicContact CZ-CB 3.85Å; F59-L88 HydrophobicContact CZ-CD1 3.47Å; F59-L88 VanDerWaalsContact CZ-CD1 3.47Å; F59-L88 HydrophobicContact CZ-CG 4.3Å |
| 60 | S | 73.1 | Confident | 69.6 | Low | 67 Ų | 67 | 76 Ų | 76 | 47% | 0.469 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.6 | -37.6 | 178 | 69.6 | 0 | 0 | 0 | 0 | 112.8 | F56 A57 K64 | F56-S60 PolarHBondContact O-N 3.31Å; A57-S60 PolarHBondContact O-N 2.85Å; A57-S60 PolarHBondContact O-OG 2.89Å; S60-K64 WeakPolarHBondContact O-CB 3.34Å; S60-K64 PolarHBondContact O-N 3.38Å |
| 61 | V | 77.9 | Confident | 70.7 | Confident | 76 Ų | 76 | 75.8 Ų | 75.8 | 46% | 0.461 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65.6 | -48 | 175.2 | 173 | 0 | 0 | 0 | 0 | 110.6 | A57 F58 F59 V63 K64 E65 | A57-V61 WeakPolarHBondContact O-CG2 3.44Å; A57-V61 PolarHBondContact O-N 3.36Å; A57-V61 VanDerWaalsContact O-N 3.13Å; F58-V61 PolarHBondContact O-N 3.29Å; F59-V61 VanDerWaalsContact C-N 3.3Å; F59-V61 PolarHBondContact O-N 3.47Å; V61-V63 PolarHBondContact O-N 2.89Å; V61-K64 PolarHBondContact O-N 2.97Å; V61-E65 WeakPolarHBondContact O-CG 3.35Å; V61-E65 PolarHBondContact O-N 3.03Å |
| 62 | A | 77.1 | Confident | 72.2 | Confident | 38 Ų | 38 | 77.5 Ų | 77.5 | 31% | 0.314 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.8 | -42.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F58 F59 K64 E65 M66 | F58-A62 WeakPolarHBondContact O-CB 3.2Å; F58-A62 PolarHBondContact O-N 3.23Å; F59-A62 PolarHBondContact O-N 3.45Å; A62-K64 VanDerWaalsContact C-N 3.33Å; A62-K64 PolarHBondContact O-N 2.91Å; A62-E65 PolarHBondContact O-N 2.91Å; A62-M66 HydrophobicContact CB-CE 4.2Å; A62-M66 WeakPolarHBondContact O-CB 3.39Å; A62-M66 WeakPolarHBondContact O-CE 3.42Å; A62-M66 VanDerWaalsContact O-CG 3.27Å; A62-M66 WeakPolarHBondContact O-CG 3.35Å; A62-M66 PolarHBondContact O-N 3.47Å |
| 63 | V | 79.8 | Confident | 73.7 | Confident | 4 Ų | 4 | 78.5 Ų | 78.5 | 2% | 0.024 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -59.6 | -44.6 | 175.8 | 168.6 | 0 | 0 | 0 | 0 | 111.2 | F59 V61 M66 A67 A81 I84 E85 L88 | F59-V63 HydrophobicContact CD1-CG2 3.92Å; F59-V63 HydrophobicContact CE1-CG2 3.59Å; F59-V63 HydrophobicContact CE2-CG2 4.31Å; F59-V63 HydrophobicContact CG-CG2 4.41Å; F59-V63 HydrophobicContact CZ-CG2 3.82Å; F59-V63 WeakPolarHBondContact O-CB 3.49Å; F59-V63 VanDerWaalsContact O-CG2 3.28Å; F59-V63 WeakPolarHBondContact O-CG2 3.4Å; F59-V63 PolarHBondContact O-N 2.94Å; V61-V63 PolarHBondContact O-N 2.89Å; V63-M66 HydrophobicContact CG2-CE 4.2Å; V63-M66 PolarHBondContact O-N 2.86Å; V63-A67 PolarHBondContact O-N 3.36Å; V63-A81 HydrophobicContact CG1-CB 3.88Å; V63-A81 WeakPolarHBondContact CG1-O 3.27Å; V63-I84 HydrophobicContact CB-CG2 4.49Å; V63-I84 HydrophobicContact CG1-CB 3.99Å; V63-I84 HydrophobicContact CG1-CG2 3.97Å; V63-I84 HydrophobicContact CG2-CG2 4.18Å; V63-E85 HydrophobicContact CG1-CB 4.34Å; V63-L88 HydrophobicContact CG2-CD1 4Å |
| 64 | K | 84 | Confident | 75.2 | Confident | 122 Ų | 122 | 76.9 Ų | 76.9 | 53% | 0.53 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.3 | -45.5 | 176.3 | -173.9 | 179 | 174.8 | -173.7 | 0 | 112.1 | S60 V61 A62 M66 A67 E68 | S60-K64 WeakPolarHBondContact O-CB 3.34Å; S60-K64 PolarHBondContact O-N 3.38Å; V61-K64 PolarHBondContact O-N 2.97Å; A62-K64 VanDerWaalsContact C-N 3.33Å; A62-K64 PolarHBondContact O-N 2.91Å; K64-M66 VanDerWaalsContact C-N 3.31Å; K64-M66 PolarHBondContact O-N 2.99Å; K64-A67 PolarHBondContact O-N 3.22Å; K64-E68 WeakPolarHBondContact CE-OE1 3.47Å; K64-E68 WeakPolarHBondContact O-CG 3.36Å; K64-E68 PolarHBondContact O-N 2.93Å |
| 65 | E | 85.3 | Confident | 76.6 | Confident | 94 Ų | 94 | 76.9 Ų | 76.9 | 44% | 0.439 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.7 | -38.1 | 176.9 | -73.2 | -173.8 | 169.8 | 0 | 0 | 112.1 | V61 A62 E68 L69 | V61-E65 WeakPolarHBondContact O-CG 3.35Å; V61-E65 PolarHBondContact O-N 3.03Å; A62-E65 PolarHBondContact O-N 2.91Å; E65-E68 PolarHBondContact O-N 3.24Å; E65-L69 WeakPolarHBondContact O-CB 3.48Å; E65-L69 WeakPolarHBondContact O-CG 3.49Å; E65-L69 PolarHBondContact O-N 3.24Å |
| 66 | M | 78.9 | Confident | 78 | Confident | 88 Ų | 88 | 81.1 Ų | 81.1 | 43% | 0.433 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.7 | -43.3 | 175 | -74.8 | -174.4 | -82.1 | 0 | 0 | 111.7 | A62 V63 K64 L69 G70 I84 L88 | A62-M66 HydrophobicContact CB-CE 4.2Å; A62-M66 WeakPolarHBondContact O-CB 3.39Å; A62-M66 WeakPolarHBondContact O-CE 3.42Å; A62-M66 VanDerWaalsContact O-CG 3.27Å; A62-M66 WeakPolarHBondContact O-CG 3.35Å; A62-M66 PolarHBondContact O-N 3.47Å; V63-M66 HydrophobicContact CG2-CE 4.2Å; V63-M66 PolarHBondContact O-N 2.86Å; K64-M66 VanDerWaalsContact C-N 3.31Å; K64-M66 PolarHBondContact O-N 2.99Å; M66-L69 PolarHBondContact O-N 3.05Å; M66-G70 PolarHBondContact O-N 2.86Å; M66-I84 HydrophobicContact CB-CD1 3.85Å; M66-I84 HydrophobicContact CE-CG2 4.44Å; M66-L88 HydrophobicContact CE-CD1 4.37Å |
| 67 | A | 82.4 | Confident | 79.4 | Confident | 9 Ų | 9 | 77.4 Ų | 77.4 | 7% | 0.074 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -62.4 | -47.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V63 K64 L69 G70 T71 A81 I84 | V63-A67 PolarHBondContact O-N 3.36Å; K64-A67 PolarHBondContact O-N 3.22Å; A67-L69 PolarHBondContact O-N 3.18Å; A67-G70 PolarHBondContact O-N 2.97Å; A67-T71 WeakPolarHBondContact O-CB 3.12Å; A67-T71 PolarHBondContact O-N 3.3Å; A67-T71 PolarHBondContact O-OG1 2.9Å; A67-A81 HydrophobicContact CB-CB 4.36Å; A67-I84 HydrophobicContact CB-CD1 3.81Å |
| 68 | E | 87.2 | Confident | 80.5 | Confident | 97 Ų | 97 | 80.6 Ų | 80.6 | 45% | 0.453 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.4 | -42.7 | 177.5 | -73.3 | 177.3 | -175.1 | 0 | 0 | 111.7 | K64 E65 T71 E72 | K64-E68 WeakPolarHBondContact CE-OE1 3.47Å; K64-E68 WeakPolarHBondContact O-CG 3.36Å; K64-E68 PolarHBondContact O-N 2.93Å; E65-E68 PolarHBondContact O-N 3.24Å; E68-T71 WeakPolarHBondContact CA-OG1 3.08Å; E68-T71 PolarHBondContact O-OG1 3.01Å; E68-E72 WeakPolarHBondContact O-CB 3.14Å; E68-E72 PolarHBondContact O-N 2.74Å |
| 69 | L | 82.9 | Confident | 81.4 | Confident | 75 Ų | 75 | 76.8 Ų | 76.8 | 39% | 0.393 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -66.1 | -42.9 | 176.4 | -73.4 | 170.8 | 0 | 0 | 0 | 111.9 | E65 M66 A67 K73 L74 | E65-L69 WeakPolarHBondContact O-CB 3.48Å; E65-L69 WeakPolarHBondContact O-CG 3.49Å; E65-L69 PolarHBondContact O-N 3.24Å; M66-L69 PolarHBondContact O-N 3.05Å; A67-L69 PolarHBondContact O-N 3.18Å; L69-K73 HydrophobicContact CD2-CD 3.72Å; L69-K73 HydrophobicContact CD2-CG 4.28Å; L69-K73 WeakPolarHBondContact O-CA 3.41Å; L69-K73 WeakPolarHBondContact O-CB 3.48Å; L69-K73 PolarHBondContact O-N 3.14Å; L69-L74 PolarHBondContact O-N 3.44Å |
| 70 | G | 80.2 | Confident | 82.3 | Confident | 3 Ų | 3 | 77.2 Ų | 77.2 | 3% | 0.031 | 42% | 0.421 | C | S | . | . | I | π-helix | trans | -65.9 | -43.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | M66 A67 L74 G75 F76 | M66-G70 PolarHBondContact O-N 2.86Å; A67-G70 PolarHBondContact O-N 2.97Å; G70-L74 CarbonylContact O-C 3.51Å; G70-L74 WeakPolarHBondContact O-CA 3.47Å; G70-L74 WeakPolarHBondContact O-CB 3.17Å; G70-L74 PolarHBondContact O-N 3.27Å; G70-G75 PolarHBondContact O-N 3.19Å; G70-F76 PolarHBondContact O-N 3.33Å |
| 71 | T | 83.7 | Confident | 82.9 | Confident | 57 Ų | 57 | 75.9 Ų | 75.9 | 35% | 0.35 | 41% | 0.414 | S | S | . | . | I | π-helix | trans | -70.2 | -53.3 | 177.6 | 46.9 | 0 | 0 | 0 | 0 | 112.2 | A67 E68 G75 F76 L79 | A67-T71 WeakPolarHBondContact O-CB 3.12Å; A67-T71 PolarHBondContact O-N 3.3Å; A67-T71 PolarHBondContact O-OG1 2.9Å; E68-T71 WeakPolarHBondContact CA-OG1 3.08Å; E68-T71 PolarHBondContact O-OG1 3.01Å; T71-G75 PolarHBondContact O-N 3.13Å; T71-F76 WeakPolarHBondContact CG2-O 3.22Å; T71-L79 HydrophobicContact CG2-CB 4.47Å; T71-L79 WeakPolarHBondContact CG2-O 3.41Å |
| 72 | E | 87.2 | Confident | 83.3 | Confident | 151 Ų | 151 | 75 Ų | 75 | 71% | 0.706 | 42% | 0.415 | S | S | * | . | I | π-helix | trans | -73.8 | -40.3 | -173.1 | -166.9 | -165.6 | 177.7 | 0 | 0 | 112.1 | E68 | E68-E72 WeakPolarHBondContact O-CB 3.14Å; E68-E72 PolarHBondContact O-N 2.74Å |
| 73 | K | 81.5 | Confident | 83.5 | Confident | 110 Ų | 110 | 76.8 Ų | 76.8 | 48% | 0.478 | 42% | 0.419 | S | S | . | . | I | π-helix | trans | -102.7 | -34.4 | -170.5 | -60.2 | -161.8 | 162.3 | -138.6 | 0 | 114.8 | L69 | L69-K73 HydrophobicContact CD2-CD 3.72Å; L69-K73 HydrophobicContact CD2-CG 4.28Å; L69-K73 WeakPolarHBondContact O-CA 3.41Å; L69-K73 WeakPolarHBondContact O-CB 3.48Å; L69-K73 PolarHBondContact O-N 3.14Å |
| 74 | L | 79.1 | Confident | 83.4 | Confident | 96 Ų | 96 | 77 Ų | 77 | 50% | 0.503 | 42% | 0.42 | S | S | . | . | I | π-helix | trans | -102.1 | -10.7 | -175.9 | -56.1 | 175.8 | 0 | 0 | 0 | 112.1 | L69 G70 F76 | L69-L74 PolarHBondContact O-N 3.44Å; G70-L74 CarbonylContact O-C 3.51Å; G70-L74 WeakPolarHBondContact O-CA 3.47Å; G70-L74 WeakPolarHBondContact O-CB 3.17Å; G70-L74 PolarHBondContact O-N 3.27Å; L74-F76 VanDerWaalsContact C-N 3.33Å; L74-F76 HydrophobicContact CB-CD2 3.44Å; L74-F76 VanDerWaalsContact CB-CD2 3.44Å; L74-F76 HydrophobicContact CB-CE2 3.37Å; L74-F76 HydrophobicContact CB-CG 4.43Å; L74-F76 HydrophobicContact CB-CZ 4.31Å; L74-F76 HydrophobicContact CD1-CD2 4.14Å; L74-F76 HydrophobicContact CD1-CE2 3.68Å; L74-F76 HydrophobicContact CG-CD2 4.42Å; L74-F76 HydrophobicContact CG-CE2 4.13Å |
| 75 | G | 85.1 | Confident | 83.2 | Confident | 58 Ų | 58 | 75.7 Ų | 75.7 | 60% | 0.598 | 42% | 0.416 | S | S | * | . | trans | 76.2 | 19 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | G70 T71 S77 | G70-G75 PolarHBondContact O-N 3.19Å; T71-G75 PolarHBondContact O-N 3.13Å; G75-S77 VanDerWaalsContact C-N 3.34Å; G75-S77 PolarHBondContact O-N 2.8Å | ||
| 76 | F | 82.6 | Confident | 83 | Confident | 118 Ų | 118 | 77.4 Ų | 77.4 | 52% | 0.518 | 42% | 0.424 | S | S | . | . | trans | -78.3 | 83.2 | 174.1 | -60.9 | -60.6 | 0 | 0 | 0 | 109.7 | G70 T71 L74 D78 L79 | G70-F76 PolarHBondContact O-N 3.33Å; T71-F76 WeakPolarHBondContact CG2-O 3.22Å; L74-F76 VanDerWaalsContact C-N 3.33Å; L74-F76 HydrophobicContact CB-CD2 3.44Å; L74-F76 VanDerWaalsContact CB-CD2 3.44Å; L74-F76 HydrophobicContact CB-CE2 3.37Å; L74-F76 HydrophobicContact CB-CG 4.43Å; L74-F76 HydrophobicContact CB-CZ 4.31Å; L74-F76 HydrophobicContact CD1-CD2 4.14Å; L74-F76 HydrophobicContact CD1-CE2 3.68Å; L74-F76 HydrophobicContact CG-CD2 4.42Å; L74-F76 HydrophobicContact CG-CE2 4.13Å; F76-D78 PolarHBondContact O-N 3.33Å; F76-D78 VanDerWaalsContact O-N 3.14Å; F76-L79 HydrophobicContact CB-CB 3.73Å; F76-L79 HydrophobicContact CB-CD2 4.48Å; F76-L79 WeakPolarHBondContact O-CB 3.45Å; F76-L79 PolarHBondContact O-N 2.93Å; F76-L79 VanDerWaalsContact O-N 3.15Å | ||
| 77 | S | 84.6 | Confident | 82.7 | Confident | 98 Ų | 98 | 78.7 Ų | 78.7 | 69% | 0.685 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -26.6 | -178.2 | 53.1 | 0 | 0 | 0 | 0 | 114 | G75 L79 | G75-S77 VanDerWaalsContact C-N 3.34Å; G75-S77 PolarHBondContact O-N 2.8Å; S77-L79 VanDerWaalsContact C-N 3.34Å |
| 78 | D | 85.4 | Confident | 82.1 | Confident | 133 Ų | 133 | 81.6 Ų | 81.6 | 71% | 0.711 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | 3 | -173.3 | -48.6 | -19.5 | 0 | 0 | 0 | 111.6 | F76 D80 N83 | F76-D78 PolarHBondContact O-N 3.33Å; F76-D78 VanDerWaalsContact O-N 3.14Å; D78-D80 PolarHBondContact O-N 3.36Å; D78-N83 PolarHBondContact O-ND2 3.15Å |
| 79 | L | 82.7 | Confident | 81.3 | Confident | 53 Ų | 53 | 81.3 Ų | 81.3 | 28% | 0.277 | 45% | 0.449 | S | S | . | . | trans | -90 | 101.4 | 179.4 | -165.7 | 79.3 | 0 | 0 | 0 | 109.9 | T71 F76 S77 I84 | T71-L79 HydrophobicContact CG2-CB 4.47Å; T71-L79 WeakPolarHBondContact CG2-O 3.41Å; F76-L79 HydrophobicContact CB-CB 3.73Å; F76-L79 HydrophobicContact CB-CD2 4.48Å; F76-L79 WeakPolarHBondContact O-CB 3.45Å; F76-L79 PolarHBondContact O-N 2.93Å; F76-L79 VanDerWaalsContact O-N 3.15Å; S77-L79 VanDerWaalsContact C-N 3.34Å; L79-I84 HydrophobicContact CD1-CD1 4.15Å; L79-I84 HydrophobicContact CD1-CG1 3.79Å; L79-I84 HydrophobicContact CD2-CD1 3.95Å; L79-I84 HydrophobicContact CD2-CG1 4.5Å; L79-I84 HydrophobicContact CG-CD1 3.88Å; L79-I84 HydrophobicContact CG-CG1 4.03Å | ||
| 80 | D | 87.9 | Confident | 80.4 | Confident | 75 Ų | 75 | 82 Ų | 82 | 40% | 0.401 | 46% | 0.46 | S | S | . | . | trans | -111.2 | 169.4 | 169.8 | 68.3 | 42.6 | 0 | 0 | 0 | 111.7 | D78 A82 N83 I84 | D78-D80 PolarHBondContact O-N 3.36Å; D80-A82 PolarHBondContact O-N 2.99Å; D80-A82 WeakPolarHBondContact OD1-CA 3.27Å; D80-A82 WeakPolarHBondContact OD1-CB 3.43Å; D80-A82 PolarHBondContact OD1-N 2.79Å; D80-N83 PolarHBondContact O-N 3.13Å; D80-N83 PolarHBondContact OD1-N 3.5Å; D80-N83 PolarHBondContact OD1-OD1 2.64Å; D80-I84 WeakPolarHBondContact O-CG1 3.43Å; D80-I84 PolarHBondContact O-N 2.82Å | ||
| 81 | A | 84.9 | Confident | 79 | Confident | 38 Ų | 38 | 84.6 Ų | 84.6 | 31% | 0.314 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.4 | -33.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V63 A67 I84 E85 | V63-A81 HydrophobicContact CG1-CB 3.88Å; V63-A81 WeakPolarHBondContact CG1-O 3.27Å; A67-A81 HydrophobicContact CB-CB 4.36Å; A81-I84 PolarHBondContact O-N 3.17Å; A81-E85 WeakPolarHBondContact O-CB 3.47Å; A81-E85 PolarHBondContact O-N 3.43Å |
| 82 | A | 86.5 | Confident | 77.4 | Confident | 58 Ų | 58 | 84 Ų | 84 | 48% | 0.479 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -70.8 | -41.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | D80 I84 E85 E86 | D80-A82 PolarHBondContact O-N 2.99Å; D80-A82 WeakPolarHBondContact OD1-CA 3.27Å; D80-A82 WeakPolarHBondContact OD1-CB 3.43Å; D80-A82 PolarHBondContact OD1-N 2.79Å; A82-I84 VanDerWaalsContact C-N 3.32Å; A82-I84 PolarHBondContact O-N 2.73Å; A82-E85 PolarHBondContact O-N 2.88Å; A82-E86 WeakPolarHBondContact O-CB 3.23Å; A82-E86 PolarHBondContact O-N 2.88Å |
| 83 | N | 81.8 | Confident | 75.8 | Confident | 76 Ų | 76 | 82.6 Ų | 82.6 | 41% | 0.406 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.9 | -39.7 | 176.2 | -69.4 | 1.8 | 0 | 0 | 0 | 111.5 | D78 D80 M87 | D78-N83 PolarHBondContact O-ND2 3.15Å; D80-N83 PolarHBondContact O-N 3.13Å; D80-N83 PolarHBondContact OD1-N 3.5Å; D80-N83 PolarHBondContact OD1-OD1 2.64Å; N83-M87 VanDerWaalsContact O-CB 3.27Å; N83-M87 WeakPolarHBondContact O-CB 3.39Å; N83-M87 PolarHBondContact O-N 3.14Å |
| 84 | I | 78.2 | Confident | 74.3 | Confident | 9 Ų | 9 | 79 Ų | 79 | 5% | 0.046 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -68.5 | -45 | 175.9 | -63.5 | 172.8 | 0 | 0 | 0 | 110.5 | V63 M66 A67 L79 D80 A81 A82 M87 L88 | V63-I84 HydrophobicContact CB-CG2 4.49Å; V63-I84 HydrophobicContact CG1-CB 3.99Å; V63-I84 HydrophobicContact CG1-CG2 3.97Å; V63-I84 HydrophobicContact CG2-CG2 4.18Å; M66-I84 HydrophobicContact CB-CD1 3.85Å; M66-I84 HydrophobicContact CE-CG2 4.44Å; A67-I84 HydrophobicContact CB-CD1 3.81Å; L79-I84 HydrophobicContact CD1-CD1 4.15Å; L79-I84 HydrophobicContact CD1-CG1 3.79Å; L79-I84 HydrophobicContact CD2-CD1 3.95Å; L79-I84 HydrophobicContact CD2-CG1 4.5Å; L79-I84 HydrophobicContact CG-CD1 3.88Å; L79-I84 HydrophobicContact CG-CG1 4.03Å; D80-I84 WeakPolarHBondContact O-CG1 3.43Å; D80-I84 PolarHBondContact O-N 2.82Å; A81-I84 PolarHBondContact O-N 3.17Å; A82-I84 VanDerWaalsContact C-N 3.32Å; A82-I84 PolarHBondContact O-N 2.73Å; I84-M87 PolarHBondContact O-N 2.92Å; I84-L88 HydrophobicContact CG2-CD1 3.7Å; I84-L88 HydrophobicContact CG2-CG 4.25Å; I84-L88 WeakPolarHBondContact O-CB 3.28Å; I84-L88 VanDerWaalsContact O-CG 3.23Å; I84-L88 WeakPolarHBondContact O-CG 3.33Å; I84-L88 PolarHBondContact O-N 3.46Å |
| 85 | E | 79.5 | Confident | 73.1 | Confident | 94 Ų | 94 | 80.4 Ų | 80.4 | 44% | 0.439 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.5 | -44 | 177.7 | -177.5 | 168.3 | -150.5 | 0 | 0 | 111.5 | F59 V63 A81 A82 L88 T89 | F59-E85 HydrophobicContact CE1-CG 4.32Å; V63-E85 HydrophobicContact CG1-CB 4.34Å; A81-E85 WeakPolarHBondContact O-CB 3.47Å; A81-E85 PolarHBondContact O-N 3.43Å; A82-E85 PolarHBondContact O-N 2.88Å; E85-L88 PolarHBondContact O-N 3.46Å; E85-T89 HydrophobicContact CG-CG2 4.46Å; E85-T89 WeakPolarHBondContact O-CB 3.09Å; E85-T89 VanDerWaalsContact O-CG2 3.29Å; E85-T89 WeakPolarHBondContact O-CG2 3.45Å; E85-T89 PolarHBondContact O-N 3.34Å; E85-T89 PolarHBondContact O-OG1 3.2Å |
| 86 | E | 79.7 | Confident | 71.3 | Confident | 130 Ų | 130 | 81.4 Ų | 81.4 | 61% | 0.607 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -59.6 | -48.3 | 173.5 | -174.3 | 179.2 | -178.8 | 0 | 0 | 110.4 | A82 L88 T89 S90 | A82-E86 WeakPolarHBondContact O-CB 3.23Å; A82-E86 PolarHBondContact O-N 2.88Å; E86-L88 VanDerWaalsContact C-N 3.35Å; E86-L88 PolarHBondContact O-N 2.94Å; E86-T89 WeakPolarHBondContact CA-OG1 3.18Å; E86-T89 PolarHBondContact O-N 3.46Å; E86-T89 PolarHBondContact O-OG1 3.38Å; E86-T89 VanDerWaalsContact O-OG1 3.12Å; E86-S90 WeakPolarHBondContact O-CA 3.29Å; E86-S90 WeakPolarHBondContact O-CB 3.37Å; E86-S90 PolarHBondContact O-N 2.71Å; E86-S90 PolarHBondContact O-OG 3.25Å |
| 87 | M | 74.2 | Confident | 69.7 | Low | 114 Ų | 114 | 81.1 Ų | 81.1 | 56% | 0.562 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -61.4 | -41.4 | 178.7 | -177.5 | -176.1 | 65.4 | 0 | 0 | 112.7 | N83 I84 S90 S91 | N83-M87 VanDerWaalsContact O-CB 3.27Å; N83-M87 WeakPolarHBondContact O-CB 3.39Å; N83-M87 PolarHBondContact O-N 3.14Å; I84-M87 PolarHBondContact O-N 2.92Å; M87-S90 PolarHBondContact O-OG 3.34Å; M87-S91 PolarHBondContact O-N 2.95Å; M87-S91 VanDerWaalsContact O-N 3.13Å |
| 88 | L | 69.8 | Low | 68.1 | Low | 71 Ų | 71 | 81.1 Ų | 81.1 | 37% | 0.372 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -72.3 | -30.7 | -180 | -70.5 | 172.8 | 0 | 0 | 0 | 112.4 | F59 V63 M66 I84 E85 E86 | F59-L88 HydrophobicContact CE2-CD1 3.77Å; F59-L88 HydrophobicContact CZ-CB 3.85Å; F59-L88 HydrophobicContact CZ-CD1 3.47Å; F59-L88 VanDerWaalsContact CZ-CD1 3.47Å; F59-L88 HydrophobicContact CZ-CG 4.3Å; V63-L88 HydrophobicContact CG2-CD1 4Å; M66-L88 HydrophobicContact CE-CD1 4.37Å; I84-L88 HydrophobicContact CG2-CD1 3.7Å; I84-L88 HydrophobicContact CG2-CG 4.25Å; I84-L88 WeakPolarHBondContact O-CB 3.28Å; I84-L88 VanDerWaalsContact O-CG 3.23Å; I84-L88 WeakPolarHBondContact O-CG 3.33Å; I84-L88 PolarHBondContact O-N 3.46Å; E85-L88 PolarHBondContact O-N 3.46Å; E86-L88 VanDerWaalsContact C-N 3.35Å; E86-L88 PolarHBondContact O-N 2.94Å |
| 89 | T | 70.1 | Confident | 66.4 | Low | 90 Ų | 90 | 78.3 Ų | 78.3 | 55% | 0.552 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -86.3 | -30.8 | 176.5 | 54.9 | 0 | 0 | 0 | 0 | 112.6 | E85 E86 S91 G92 | E85-T89 HydrophobicContact CG-CG2 4.46Å; E85-T89 WeakPolarHBondContact O-CB 3.09Å; E85-T89 VanDerWaalsContact O-CG2 3.29Å; E85-T89 WeakPolarHBondContact O-CG2 3.45Å; E85-T89 PolarHBondContact O-N 3.34Å; E85-T89 PolarHBondContact O-OG1 3.2Å; E86-T89 WeakPolarHBondContact CA-OG1 3.18Å; E86-T89 PolarHBondContact O-N 3.46Å; E86-T89 PolarHBondContact O-OG1 3.38Å; E86-T89 VanDerWaalsContact O-OG1 3.12Å; T89-S91 VanDerWaalsContact C-N 3.34Å; T89-G92 WeakPolarHBondContact O-CA 3.25Å; T89-G92 PolarHBondContact O-N 3.43Å; T89-G92 VanDerWaalsContact O-N 3.13Å |
| 90 | S | 63 | Low | 65.1 | Low | 89 Ų | 89 | 80.1 Ų | 80.1 | 62% | 0.622 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -73.9 | -26.4 | 177.2 | 79.5 | 0 | 0 | 0 | 0 | 112.1 | E86 M87 G92 | E86-S90 WeakPolarHBondContact O-CA 3.29Å; E86-S90 WeakPolarHBondContact O-CB 3.37Å; E86-S90 PolarHBondContact O-N 2.71Å; E86-S90 PolarHBondContact O-OG 3.25Å; M87-S90 PolarHBondContact O-OG 3.34Å; S90-G92 PolarHBondContact O-N 2.98Å |
| 91 | S | 51.8 | Low | 63.5 | Low | 58 Ų | 58 | 83.1 Ų | 83.1 | 41% | 0.406 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | 21.8 | 166.7 | 112.7 | 0 | 0 | 0 | 0 | 112.2 | M87 T89 D93 | M87-S91 PolarHBondContact O-N 2.95Å; M87-S91 VanDerWaalsContact O-N 3.13Å; T89-S91 VanDerWaalsContact C-N 3.34Å; S91-D93 PolarHBondContact O-N 2.86Å |
| 92 | G | 50 | Low | 62 | Low | 44 Ų | 44 | 87.8 Ų | 87.8 | 45% | 0.454 | 49% | 0.494 | S | S | . | . | trans | -44.4 | 102.3 | 179 | 0 | 0 | 0 | 0 | 0 | 110.4 | T89 S90 G94 | T89-G92 WeakPolarHBondContact O-CA 3.25Å; T89-G92 PolarHBondContact O-N 3.43Å; T89-G92 VanDerWaalsContact O-N 3.13Å; S90-G92 PolarHBondContact O-N 2.98Å; G92-G94 PolarHBondContact O-N 3.3Å | ||
| 93 | D | 53.8 | Low | 60.3 | Low | 122 Ų | 122 | 88.3 Ų | 88.3 | 65% | 0.652 | 49% | 0.489 | S | S | * | . | S | Bend | trans | 40.1 | -28 | 161.8 | -51.9 | -26 | 0 | 0 | 0 | 120.2 | S91 L97 | S91-D93 PolarHBondContact O-N 2.86Å; D93-L97 HydrophobicContact CB-CD1 4.28Å; D93-L97 WeakPolarHBondContact O-CB 3.38Å; D93-L97 WeakPolarHBondContact O-CD1 3.1Å; D93-L97 WeakPolarHBondContact O-CG 3.41Å; D93-L97 PolarHBondContact O-N 3.46Å |
| 94 | G | 50.1 | Low | 59.1 | Low | 36 Ų | 36 | 88 Ų | 88 | 37% | 0.371 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.7 | -47.5 | -175 | 0 | 0 | 0 | 0 | 0 | 113.9 | G92 N98 | G92-G94 PolarHBondContact O-N 3.3Å; G94-N98 WeakPolarHBondContact O-CB 3.45Å; G94-N98 VanDerWaalsContact O-CG 3.26Å; G94-N98 PolarHBondContact O-N 3.44Å; G94-N98 PolarHBondContact O-ND2 2.94Å |
| 95 | D | 52.4 | Low | 57.9 | Low | 124 Ų | 124 | 91.9 Ų | 91.9 | 66% | 0.663 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -74.1 | -33.8 | -176.7 | -75.1 | -9.6 | 0 | 0 | 0 | 112.1 | L99 | D95-L99 PolarHBondContact O-N 2.92Å; D95-L99 VanDerWaalsContact O-N 3.09Å |
| 96 | L | 47.5 | Very low | 56.6 | Low | 80 Ų | 80 | 95.4 Ų | 95.4 | 42% | 0.419 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -71.8 | -41 | 175.7 | -107.6 | 157 | 0 | 0 | 0 | 111.7 | L99 V100 | L96-L99 PolarHBondContact O-N 3.29Å; L96-V100 WeakPolarHBondContact O-CG2 3.35Å; L96-V100 PolarHBondContact O-N 3.32Å |
| 97 | L | 49.8 | Very low | 54.9 | Low | 112 Ų | 112 | 97.3 Ų | 97.3 | 59% | 0.586 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -66.6 | -36.9 | 174.6 | -71.5 | 173.3 | 0 | 0 | 0 | 111.9 | D93 L99 V100 Q101 | D93-L97 HydrophobicContact CB-CD1 4.28Å; D93-L97 WeakPolarHBondContact O-CB 3.38Å; D93-L97 WeakPolarHBondContact O-CD1 3.1Å; D93-L97 WeakPolarHBondContact O-CG 3.41Å; D93-L97 PolarHBondContact O-N 3.46Å; L97-L99 VanDerWaalsContact C-N 3.34Å; L97-L99 PolarHBondContact O-N 2.9Å; L97-V100 PolarHBondContact O-N 2.67Å; L97-Q101 WeakPolarHBondContact O-CB 3.42Å; L97-Q101 PolarHBondContact O-N 3.36Å |
| 98 | N | 50.2 | Low | 53.3 | Low | 97 Ų | 97 | 101.1 Ų | 101.1 | 52% | 0.519 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -61.7 | -41.5 | 173.1 | -80 | -20.5 | 0 | 0 | 0 | 111.7 | G94 Q101 E102 | G94-N98 WeakPolarHBondContact O-CB 3.45Å; G94-N98 VanDerWaalsContact O-CG 3.26Å; G94-N98 PolarHBondContact O-N 3.44Å; G94-N98 PolarHBondContact O-ND2 2.94Å; N98-Q101 PolarHBondContact O-N 3.49Å; N98-E102 WeakPolarHBondContact O-CB 3.32Å; N98-E102 PolarHBondContact O-N 2.86Å |
| 99 | L | 50.8 | Low | 51.9 | Low | 75 Ų | 75 | 104.8 Ų | 104.8 | 39% | 0.393 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -66.6 | -36.5 | 175.7 | -110 | 151.5 | 0 | 0 | 0 | 112.8 | D95 L96 L97 Q101 N103 | D95-L99 PolarHBondContact O-N 2.92Å; D95-L99 VanDerWaalsContact O-N 3.09Å; L96-L99 PolarHBondContact O-N 3.29Å; L97-L99 VanDerWaalsContact C-N 3.34Å; L97-L99 PolarHBondContact O-N 2.9Å; L99-Q101 VanDerWaalsContact C-N 3.34Å; L99-N103 PolarHBondContact O-N 2.7Å; L99-N103 PolarHBondContact O-ND2 3.36Å |
| 100 | V | 55.3 | Low | 50.5 | Low | 90 Ų | 90 | 107.6 Ų | 107.6 | 55% | 0.545 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -66.2 | -40.3 | 173 | 171.7 | 0 | 0 | 0 | 0 | 110.3 | L96 L97 N103 A104 | L96-V100 WeakPolarHBondContact O-CG2 3.35Å; L96-V100 PolarHBondContact O-N 3.32Å; L97-V100 PolarHBondContact O-N 2.67Å; V100-N103 PolarHBondContact O-N 3.28Å; V100-A104 VanDerWaalsContact O-CB 3.31Å; V100-A104 WeakPolarHBondContact O-CB 3.38Å; V100-A104 PolarHBondContact O-N 3.44Å |
| 101 | Q | 53.2 | Low | 49.4 | Very low | 139 Ų | 139 | 106.8 Ų | 106.8 | 65% | 0.65 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -66.9 | -40.5 | 177.4 | -168.9 | 170.4 | 9.8 | 0 | 0 | 112 | L97 N98 L99 A104 S105 | L97-Q101 WeakPolarHBondContact O-CB 3.42Å; L97-Q101 PolarHBondContact O-N 3.36Å; N98-Q101 PolarHBondContact O-N 3.49Å; L99-Q101 VanDerWaalsContact C-N 3.34Å; Q101-A104 PolarHBondContact O-N 2.88Å; Q101-S105 PolarHBondContact O-N 3.49Å; Q101-S105 PolarHBondContact O-OG 3.42Å |
| 102 | E | 53.7 | Low | 48.9 | Very low | 136 Ų | 136 | 111 Ų | 111 | 64% | 0.636 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -64.2 | -41.6 | 176.6 | -166.9 | 174.8 | -170.1 | 0 | 0 | 111.6 | N98 S105 | N98-E102 WeakPolarHBondContact O-CB 3.32Å; N98-E102 PolarHBondContact O-N 2.86Å; E102-S105 PolarHBondContact O-N 3.12Å; E102-S105 PolarHBondContact O-OG 2.74Å |
| 103 | N | 51.9 | Low | 48.4 | Very low | 68 Ų | 68 | 116.6 Ų | 116.6 | 36% | 0.364 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -72.6 | -33.4 | 176.2 | -72.7 | -60.6 | 0 | 0 | 0 | 113 | L99 V100 S105 E106 E107 | L99-N103 PolarHBondContact O-N 2.7Å; L99-N103 PolarHBondContact O-ND2 3.36Å; V100-N103 PolarHBondContact O-N 3.28Å; N103-S105 PolarHBondContact O-N 3.39Å; N103-E106 PolarHBondContact O-N 2.9Å; N103-E107 PolarHBondContact O-N 2.93Å |
| 104 | A | 56.6 | Low | 47.8 | Very low | 69 Ų | 69 | 117.5 Ų | 117.5 | 57% | 0.57 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -65 | -21.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V100 Q101 E106 | V100-A104 VanDerWaalsContact O-CB 3.31Å; V100-A104 WeakPolarHBondContact O-CB 3.38Å; V100-A104 PolarHBondContact O-N 3.44Å; Q101-A104 PolarHBondContact O-N 2.88Å; A104-E106 VanDerWaalsContact C-N 3.35Å |
| 105 | S | 52.7 | Low | 47.5 | Very low | 92 Ų | 92 | 122.4 Ų | 122.4 | 64% | 0.643 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -17.9 | 170.7 | 22.1 | 0 | 0 | 0 | 0 | 114.4 | Q101 E102 N103 | Q101-S105 PolarHBondContact O-N 3.49Å; Q101-S105 PolarHBondContact O-OG 3.42Å; E102-S105 PolarHBondContact O-N 3.12Å; E102-S105 PolarHBondContact O-OG 2.74Å; N103-S105 PolarHBondContact O-N 3.39Å |
| 106 | E | 51.8 | Low | 47.3 | Very low | 168 Ų | 168 | 124.8 Ų | 124.8 | 79% | 0.785 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | -10.8 | -176.8 | -148.5 | 165.9 | -153.5 | 0 | 0 | 113.3 | N103 A104 K108 | N103-E106 PolarHBondContact O-N 2.9Å; A104-E106 VanDerWaalsContact C-N 3.35Å; E106-K108 PolarHBondContact O-N 3.45Å |
| 107 | E | 43.9 | Very low | 47.4 | Very low | 170 Ų | 170 | 125 Ų | 125 | 79% | 0.794 | 68% | 0.677 | S | S | * | * | trans | -94.1 | 68.1 | 171.6 | -68.6 | -175 | 173.5 | 0 | 0 | 111.4 | N103 | N103-E107 PolarHBondContact O-N 2.93Š| ||
| 108 | K | 40.1 | Very low | 47 | Very low | 194 Ų | 194 | 124.3 Ų | 124.3 | 84% | 0.843 | 69% | 0.687 | S | S | * | * | trans | -121.2 | 73.5 | 156.5 | -84.5 | -172.2 | -179.9 | 171.3 | 0 | 109 | E106 | E106-K108 PolarHBondContact O-N 3.45Š| ||
| 109 | D | 40.5 | Very low | 46.7 | Very low | 148 Ų | 148 | 126.5 Ų | 126.5 | 79% | 0.791 | 70% | 0.698 | S | S | * | * | trans | -174.9 | 151.7 | 134.3 | -126.8 | -17.8 | 0 | 0 | 0 | 110.2 | ||||
| 110 | D | 41.1 | Very low | 46.1 | Very low | 148 Ų | 148 | 130.8 Ų | 130.8 | 79% | 0.791 | 72% | 0.721 | S | S | * | * | trans | 81.7 | 84.4 | 168.5 | -58.2 | -25.3 | 0 | 0 | 0 | 118.5 | ||||
| 111 | G | 39.4 | Very low | 45.7 | Very low | 73 Ų | 73 | 132 Ų | 132 | 75% | 0.753 | 73% | 0.732 | S | S | * | * | 89.6 | 84.5 | 104.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 112 | D | 41.2 | Very low | 45.1 | Very low | 145 Ų | 145 | 134.4 Ų | 134.4 | 78% | 0.775 | 74% | 0.744 | S | S | * | * | 21.9 | 101.7 | 129.7 | -143.9 | 10.4 | 0 | 0 | 0 | 116.9 | |||||
| 113 | N | 40.9 | Very low | 44.5 | Very low | 162 Ų | 162 | 136 Ų | 136 | 87% | 0.866 | 75% | 0.751 | S | S | * | * | trans | -151.4 | 87.8 | 152.5 | -105.2 | -20.7 | 0 | 0 | 0 | 108.3 | D115 | N113-D115 PolarHBondContact O-N 2.79Š| ||
| 114 | D | 41 | Very low | 43.9 | Very low | 141 Ų | 141 | 139 Ų | 139 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | trans | -57.4 | 110.4 | 154.5 | -82.4 | -28.2 | 0 | 0 | 0 | 108.8 | ||||
| 115 | D | 42.9 | Very low | 43.3 | Very low | 139 Ų | 139 | 142.1 Ų | 142.1 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | trans | -141.8 | 81.7 | 153.5 | -154 | 0.5 | 0 | 0 | 0 | 109.5 | N113 S117 | N113-D115 PolarHBondContact O-N 2.79Å; D115-S117 PolarHBondContact O-N 3.36Å; D115-S117 PolarHBondContact O-OG 2.91Å | ||
| 116 | E | 49.2 | Very low | 42.8 | Very low | 174 Ų | 174 | 145.8 Ų | 145.8 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | trans | -60.2 | 76 | 167.7 | -74.8 | -80 | 179.2 | 0 | 0 | 110.2 | A118 | E116-A118 PolarHBondContact O-N 3.26Š| ||
| 117 | S | 48.4 | Very low | 42.3 | Very low | 85 Ų | 85 | 145.6 Ų | 145.6 | 59% | 0.594 | 79% | 0.789 | S | S | * | * | trans | -86.3 | 88.5 | 163.6 | 28.6 | 0 | 0 | 0 | 0 | 109 | D115 L119 | D115-S117 PolarHBondContact O-N 3.36Å; D115-S117 PolarHBondContact O-OG 2.91Å; S117-L119 PolarHBondContact O-N 3.04Å | ||
| 118 | A | 42.9 | Very low | 42.2 | Very low | 97 Ų | 97 | 142.9 Ų | 142.9 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | trans | -56.2 | 95.4 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | E116 D120 | E116-A118 PolarHBondContact O-N 3.26Å; A118-D120 PolarHBondContact O-N 2.78Å | ||
| 119 | L | 43.8 | Very low | 42.5 | Very low | 144 Ų | 144 | 139.6 Ų | 139.6 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | trans | -85.9 | 104.2 | 168.9 | -65.9 | 178.8 | 0 | 0 | 0 | 107.9 | S117 C121 | S117-L119 PolarHBondContact O-N 3.04Å; L119-C121 VanDerWaalsContact C-N 3.29Å; L119-C121 PolarHBondContact O-N 3.46Å | ||
| 120 | D | 37.7 | Very low | 42.5 | Very low | 164 Ų | 164 | 142.5 Ų | 142.5 | 88% | 0.877 | 77% | 0.771 | S | S | * | * | trans | -60.1 | 94 | 163.7 | -108.2 | -12.2 | 0 | 0 | 0 | 108.1 | A118 E122 | A118-D120 PolarHBondContact O-N 2.78Å; D120-E122 VanDerWaalsContact C-N 3.32Å; D120-E122 PolarHBondContact O-N 3.21Å | ||
| 121 | C | 46.9 | Very low | 42.4 | Very low | 115 Ų | 115 | 137.5 Ų | 137.5 | 78% | 0.777 | 76% | 0.755 | S | S | * | * | trans | -92.2 | 66.6 | 171.7 | -75.8 | 0 | 0 | 0 | 0 | 109.3 | L119 E123 | L119-C121 VanDerWaalsContact C-N 3.29Å; L119-C121 PolarHBondContact O-N 3.46Å; C121-E123 PolarHBondContact O-N 2.87Å | ||
| 122 | E | 41 | Very low | 42.5 | Very low | 190 Ų | 190 | 140.8 Ų | 140.8 | 89% | 0.888 | 75% | 0.748 | S | S | * | * | trans | -89.1 | 81.1 | 156 | -81.4 | -164.5 | 144.2 | 0 | 0 | 108.6 | D120 | D120-E122 VanDerWaalsContact C-N 3.32Å; D120-E122 PolarHBondContact O-N 3.21Å | ||
| 123 | E | 40.1 | Very low | 42.7 | Very low | 171 Ų | 171 | 140 Ų | 140 | 80% | 0.799 | 74% | 0.738 | S | S | * | * | trans | -146.6 | 92 | 151.2 | -157.6 | 161.4 | -165.8 | 0 | 0 | 108.1 | C121 D125 | C121-E123 PolarHBondContact O-N 2.87Å; E123-D125 PolarHBondContact O-N 3.35Å | ||
| 124 | T | 40.6 | Very low | 43.1 | Very low | 129 Ų | 129 | 141.2 Ų | 141.2 | 79% | 0.791 | 74% | 0.735 | S | S | * | * | trans | -57 | 119.7 | 158.4 | 49.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 125 | D | 42.5 | Very low | 43.2 | Very low | 136 Ų | 136 | 137.6 Ų | 137.6 | 73% | 0.727 | 72% | 0.72 | S | S | * | * | trans | -158.7 | 131.1 | 140.6 | -95.3 | -25.8 | 0 | 0 | 0 | 108.8 | E123 L127 | E123-D125 PolarHBondContact O-N 3.35Å; D125-L127 PolarHBondContact O-N 3.39Å | ||
| 126 | E | 43.3 | Very low | 43.2 | Very low | 168 Ų | 168 | 135.3 Ų | 135.3 | 79% | 0.785 | 70% | 0.704 | S | S | * | * | trans | -50.8 | 82.1 | 165.6 | -63.4 | 177 | 151.4 | 0 | 0 | 108.9 | L128 | E126-L128 HydrophobicContact CB-CD2 4.37Å; E126-L128 HydrophobicContact CB-CG 4.34Å; E126-L128 WeakPolarHBondContact O-CG 3.32Å; E126-L128 PolarHBondContact O-N 3.06Å | ||
| 127 | L | 41.7 | Very low | 43 | Very low | 164 Ų | 164 | 132.5 Ų | 132.5 | 86% | 0.859 | 70% | 0.701 | S | S | * | * | trans | -69.9 | 75.4 | 159.1 | -73 | -178.8 | 0 | 0 | 0 | 106.1 | D125 L129 | D125-L127 PolarHBondContact O-N 3.39Å; L127-L129 PolarHBondContact O-N 3.13Å; L127-L129 VanDerWaalsContact O-N 3.14Å | ||
| 128 | L | 40.9 | Very low | 42.5 | Very low | 113 Ų | 113 | 136.1 Ų | 136.1 | 59% | 0.592 | 71% | 0.713 | S | S | * | * | trans | -38.1 | 118.8 | 171.4 | -68 | 167.9 | 0 | 0 | 0 | 107.4 | E126 R130 G131 | E126-L128 HydrophobicContact CB-CD2 4.37Å; E126-L128 HydrophobicContact CB-CG 4.34Å; E126-L128 WeakPolarHBondContact O-CG 3.32Å; E126-L128 PolarHBondContact O-N 3.06Å; L128-R130 HydrophobicContact CB-CB 4.05Å; L128-R130 PolarHBondContact O-N 3.38Å; L128-G131 PolarHBondContact O-N 3.42Å | ||
| 129 | L | 46 | Very low | 42.1 | Very low | 125 Ų | 125 | 142.3 Ų | 142.3 | 65% | 0.654 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -41.7 | -17.9 | 166.9 | -86.2 | 137 | 0 | 0 | 0 | 113.7 | L127 G131 F132 K133 | L127-L129 PolarHBondContact O-N 3.13Å; L127-L129 VanDerWaalsContact O-N 3.14Å; L129-G131 PolarHBondContact O-N 3.11Å; L129-F132 WeakPolarHBondContact O-CB 3.12Å; L129-F132 PolarHBondContact O-N 3.37Å; L129-K133 PolarHBondContact O-N 2.93Å |
| 130 | R | 40.7 | Very low | 41.4 | Very low | 209 Ų | 209 | 146 Ų | 146 | 79% | 0.789 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.3 | -32.5 | 167.5 | -142.1 | 175.7 | -169 | -132.3 | 1.4 | 113.7 | L128 K133 | L128-R130 HydrophobicContact CB-CB 4.05Å; L128-R130 PolarHBondContact O-N 3.38Å; R130-K133 WeakPolarHBondContact O-CB 3.42Å |
| 131 | G | 38.7 | Very low | 41.5 | Very low | 44 Ų | 44 | 146.8 Ų | 146.8 | 45% | 0.454 | 73% | 0.734 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.2 | -41.8 | 173 | 0 | 0 | 0 | 0 | 0 | 113.2 | L128 L129 K133 K134 | L128-G131 PolarHBondContact O-N 3.42Å; L129-G131 PolarHBondContact O-N 3.11Å; G131-K133 PolarHBondContact O-N 3.42Å; G131-K134 PolarHBondContact O-N 3.13Å |
| 132 | F | 42.9 | Very low | 41.3 | Very low | 142 Ų | 142 | 148.4 Ų | 148.4 | 62% | 0.623 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -57.7 | -35.8 | 176.1 | -93.9 | -90.5 | 0 | 0 | 0 | 112.2 | L129 K134 C135 F136 | L129-F132 WeakPolarHBondContact O-CB 3.12Å; L129-F132 PolarHBondContact O-N 3.37Å; F132-K134 PolarHBondContact O-N 3.08Å; F132-K134 VanDerWaalsContact O-N 3.09Å; F132-C135 PolarHBondContact O-N 2.83Å; F132-F136 HydrophobicContact CD1-CD2 4.44Å; F132-F136 HydrophobicContact CD1-CE2 4.19Å; F132-F136 HydrophobicContact CE1-CE2 4.37Å |
| 133 | K | 45 | Very low | 41.3 | Very low | 128 Ų | 128 | 146.2 Ų | 146.2 | 56% | 0.557 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -59.3 | -20.9 | 177.6 | -150.8 | 169.2 | -172.3 | 167.8 | 0 | 113.6 | L129 R130 G131 | L129-K133 PolarHBondContact O-N 2.93Å; R130-K133 WeakPolarHBondContact O-CB 3.42Å; G131-K133 PolarHBondContact O-N 3.42Å |
| 134 | K | 49.2 | Very low | 41.3 | Very low | 187 Ų | 187 | 144.8 Ų | 144.8 | 81% | 0.813 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -99.3 | -22 | -178.5 | -141.9 | 176.4 | -173.4 | -178.7 | 0 | 113.7 | G131 F132 | G131-K134 PolarHBondContact O-N 3.13Å; F132-K134 PolarHBondContact O-N 3.08Å; F132-K134 VanDerWaalsContact O-N 3.09Å |
| 135 | C | 43.8 | Very low | 41.4 | Very low | 65 Ų | 65 | 145.8 Ų | 145.8 | 44% | 0.439 | 72% | 0.715 | S | S | . | * | H | α-helix | trans | -83.4 | -20.3 | -176.1 | -68.2 | 0 | 0 | 0 | 0 | 114 | F132 P137 | F132-C135 PolarHBondContact O-N 2.83Å; C135-P137 VanDerWaalsContact C-CD 3.49Å; C135-P137 WeakPolarHBondContact O-CD 3.42Å |
| 136 | F | 42.7 | Very low | 41.3 | Very low | 92 Ų | 92 | 146.4 Ų | 146.4 | 40% | 0.404 | 71% | 0.714 | S | S | . | * | trans | -127.1 | 70 | -174 | -64.2 | -82.4 | 0 | 0 | 0 | 113.4 | F132 L138 | F132-F136 HydrophobicContact CD1-CD2 4.44Å; F132-F136 HydrophobicContact CD1-CE2 4.19Å; F132-F136 HydrophobicContact CE1-CE2 4.37Å; F136-L138 PolarHBondContact O-N 3.17Å | ||
| 137 | P | 44.6 | Very low | 41.2 | Very low | 114 Ų | 114 | 144.9 Ų | 144.9 | 74% | 0.74 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | -10.3 | 169.8 | 28.4 | -32.5 | 0 | 0 | 0 | 113.8 | C135 | C135-P137 VanDerWaalsContact C-CD 3.49Å; C135-P137 WeakPolarHBondContact O-CD 3.42Å |
| 138 | L | 38.6 | Very low | 41.1 | Very low | 161 Ų | 161 | 143.6 Ų | 143.6 | 84% | 0.843 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.3 | 7.7 | -173.3 | -76.5 | 166.2 | 0 | 0 | 0 | 114.9 | F136 R140 | F136-L138 PolarHBondContact O-N 3.17Å; L138-R140 PolarHBondContact O-N 2.78Å |
| 139 | W | 33.4 | Very low | 41.2 | Very low | 228 Ų | 228 | 145.9 Ų | 145.9 | 86% | 0.864 | 71% | 0.707 | S | S | * | * | trans | -80.5 | 69.3 | 166.6 | -120.5 | 57.7 | 0 | 0 | 0 | 109.1 | ||||
| 140 | R | 29.5 | Very low | 40.8 | Very low | 221 Ų | 221 | 147.7 Ų | 147.7 | 83% | 0.834 | 71% | 0.711 | S | S | * | * | trans | -103 | 129.5 | 164.3 | -164.4 | -172.2 | -78.9 | -158.5 | -1.9 | 105.7 | L138 | L138-R140 PolarHBondContact O-N 2.78Š| ||
| 141 | P | 40.1 | Very low | 40.8 | Very low | 181 Ų | 181 | 142.1 Ų | 142.1 | 100% | 1.175 | 70% | 0.704 | S | S | * | * | trans | -60.3 | 0 | -177.9 | 24.4 | -33.3 | 0 | 0 | 0 | 112.8 |
Retrieved 141 of 141 residues in 181.4 ms
(Link to these results)