| 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 | 43.5 | Very low | 49.2 | Very low | 213 Ų | 213 | 116.6 Ų | 116.6 | 100% | 1.049 | 64% | 0.638 | S | S | * | * | 0 | -19.9 | 0 | -75.2 | -177.1 | 168 | 0 | 0 | 114.7 | S4 | M1-S4 PolarHBondContact O-OG 2.98Š| |||
| 2 | L | 39.7 | Very low | 49.7 | Very low | 124 Ų | 124 | 113 Ų | 113 | 65% | 0.649 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -70.3 | -32.6 | 176.5 | -96.3 | 148.3 | 0 | 0 | 0 | 114.5 | S4 L5 | L2-S4 VanDerWaalsContact C-N 3.28Å; L2-S4 PolarHBondContact O-N 3.07Å; L2-L5 PolarHBondContact O-N 3.31Å |
| 3 | Y | 44.2 | Very low | 50.1 | Low | 211 Ų | 211 | 107.5 Ų | 107.5 | 83% | 0.827 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -64.1 | -28.2 | -178.5 | -72.6 | -76.4 | 0 | 0 | 0 | 114 | ||
| 4 | S | 51.5 | Low | 50.2 | Low | 84 Ų | 84 | 103.3 Ų | 103.3 | 59% | 0.587 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -74.5 | -29.7 | 178.2 | 47.3 | 0 | 0 | 0 | 0 | 113 | M1 L2 F6 N7 | M1-S4 PolarHBondContact O-OG 2.98Å; L2-S4 VanDerWaalsContact C-N 3.28Å; L2-S4 PolarHBondContact O-N 3.07Å; S4-F6 VanDerWaalsContact C-N 3.32Å; S4-F6 PolarHBondContact O-N 3.15Å; S4-N7 PolarHBondContact O-N 3.18Å |
| 5 | L | 50.3 | Low | 51 | Low | 137 Ų | 137 | 100.5 Ų | 100.5 | 72% | 0.717 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -69.3 | -31.7 | -179.2 | -127.5 | 117.2 | 0 | 0 | 0 | 112.4 | L2 | L2-L5 PolarHBondContact O-N 3.31Å |
| 6 | F | 48.3 | Very low | 51.9 | Low | 64 Ų | 64 | 100.1 Ų | 100.1 | 28% | 0.281 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -77.5 | -29.4 | 176.7 | -80.9 | -80.7 | 0 | 0 | 0 | 112.4 | S4 G8 S9 K14 I17 | S4-F6 VanDerWaalsContact C-N 3.32Å; S4-F6 PolarHBondContact O-N 3.15Å; F6-G8 PolarHBondContact O-N 3.12Å; F6-G8 VanDerWaalsContact O-N 3.12Å; F6-S9 PolarHBondContact O-N 3.47Å; F6-S9 PolarHBondContact O-OG 2.9Å; F6-K14 WeakPolarHBondContact O-CE 3.22Å; F6-K14 PolarHBondContact O-NZ 3.13Å; F6-I17 HydrophobicContact CE1-CD1 4.35Å; F6-I17 HydrophobicContact CE1-CG2 3.8Å; F6-I17 HydrophobicContact CZ-CG2 4.17Å |
| 7 | N | 52.5 | Low | 52.6 | Low | 125 Ų | 125 | 96.6 Ų | 96.6 | 67% | 0.668 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.8 | -23.9 | -171.9 | -84.3 | -2.3 | 0 | 0 | 0 | 115.3 | S4 | S4-N7 PolarHBondContact O-N 3.18Å |
| 8 | G | 51.3 | Low | 53.1 | Low | 77 Ų | 77 | 99.1 Ų | 99.1 | 79% | 0.794 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -7.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | F6 | F6-G8 PolarHBondContact O-N 3.12Å; F6-G8 VanDerWaalsContact O-N 3.12Å |
| 9 | S | 49.8 | Very low | 53.9 | Low | 28 Ų | 28 | 102.7 Ų | 102.7 | 20% | 0.196 | 55% | 0.549 | C | S | . | . | S | Bend | trans | -89.4 | 137.1 | -178.2 | 34.8 | 0 | 0 | 0 | 0 | 111.8 | F6 K14 | F6-S9 PolarHBondContact O-N 3.47Å; F6-S9 PolarHBondContact O-OG 2.9Å; S9-K14 WeakPolarHBondContact O-CE 3.03Å |
| 10 | P | 52.7 | Low | 54.5 | Low | 73 Ų | 73 | 105.1 Ų | 105.1 | 47% | 0.474 | 55% | 0.554 | S | S | . | * | trans | -56.4 | 142.8 | 178 | 21.9 | -32.2 | 0 | 0 | 0 | 110.5 | S12 I13 K14 | P10-S12 PolarHBondContact O-N 2.64Å; P10-I13 HydrophobicContact CG-CB 4.29Å; P10-I13 HydrophobicContact CG-CD1 3.51Å; P10-I13 HydrophobicContact CG-CG1 3.83Å; P10-I13 PolarHBondContact O-N 2.93Å; P10-K14 PolarHBondContact O-N 3.36Å; P10-K14 VanDerWaalsContact O-N 3.17Å | ||
| 11 | L | 57.2 | Low | 55.2 | Low | 147 Ų | 147 | 102.5 Ų | 102.5 | 77% | 0.77 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -49.9 | -32.7 | -174.1 | -106.2 | 89.6 | 0 | 0 | 0 | 113.3 | K14 S15 | L11-K14 PolarHBondContact O-N 2.7Å; L11-S15 PolarHBondContact O-N 3.05Å |
| 12 | S | 56 | Low | 56.4 | Low | 73 Ų | 73 | 100 Ų | 100 | 51% | 0.51 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.9 | -48.1 | 176.5 | 52 | 0 | 0 | 0 | 0 | 112.1 | P10 S15 I16 | P10-S12 PolarHBondContact O-N 2.64Å; S12-S15 PolarHBondContact O-N 3.17Å; S12-S15 PolarHBondContact O-OG 3.33Å; S12-I16 WeakPolarHBondContact O-CG1 3.27Å; S12-I16 PolarHBondContact O-N 3.16Å |
| 13 | I | 54.5 | Low | 57.7 | Low | 42 Ų | 42 | 97.7 Ų | 97.7 | 22% | 0.215 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -66.5 | -42.1 | 178.1 | -62.2 | 179 | 0 | 0 | 0 | 110.1 | P10 S15 I16 I17 | P10-I13 HydrophobicContact CG-CB 4.29Å; P10-I13 HydrophobicContact CG-CD1 3.51Å; P10-I13 HydrophobicContact CG-CG1 3.83Å; P10-I13 PolarHBondContact O-N 2.93Å; I13-S15 VanDerWaalsContact C-N 3.29Å; I13-S15 PolarHBondContact O-N 2.93Å; I13-I16 PolarHBondContact O-N 3.25Å; I13-I17 HydrophobicContact CG2-CD1 3.53Å; I13-I17 HydrophobicContact CG2-CG1 4.15Å; I13-I17 WeakPolarHBondContact O-CB 3.46Å; I13-I17 VanDerWaalsContact O-CG1 3.27Å; I13-I17 WeakPolarHBondContact O-CG1 3.2Å; I13-I17 PolarHBondContact O-N 3.36Å |
| 14 | K | 51.4 | Low | 58.9 | Low | 48 Ų | 48 | 90.6 Ų | 90.6 | 21% | 0.209 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -54 | -47.2 | 173.2 | -72.9 | -178.4 | 179 | 176 | 0 | 111.2 | F6 S9 P10 L11 I16 I17 F18 | F6-K14 WeakPolarHBondContact O-CE 3.22Å; F6-K14 PolarHBondContact O-NZ 3.13Å; S9-K14 WeakPolarHBondContact O-CE 3.03Å; P10-K14 PolarHBondContact O-N 3.36Å; P10-K14 VanDerWaalsContact O-N 3.17Å; L11-K14 PolarHBondContact O-N 2.7Å; K14-I16 PolarHBondContact O-N 2.85Å; K14-I17 PolarHBondContact O-N 3.5Å; K14-F18 WeakPolarHBondContact O-CB 3.36Å; K14-F18 WeakPolarHBondContact O-CD2 3.22Å; K14-F18 PolarHBondContact O-N 3.25Å |
| 15 | S | 62.5 | Low | 59.6 | Low | 62 Ų | 62 | 91 Ų | 91 | 43% | 0.434 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64 | -39.9 | -177.5 | 85 | 0 | 0 | 0 | 0 | 112.9 | L11 S12 I13 F18 K19 | L11-S15 PolarHBondContact O-N 3.05Å; S12-S15 PolarHBondContact O-N 3.17Å; S12-S15 PolarHBondContact O-OG 3.33Å; I13-S15 VanDerWaalsContact C-N 3.29Å; I13-S15 PolarHBondContact O-N 2.93Å; S15-F18 PolarHBondContact O-N 3.37Å; S15-K19 WeakPolarHBondContact O-CB 3.45Å; S15-K19 PolarHBondContact O-N 3.36Å |
| 16 | I | 65.4 | Low | 60.4 | Low | 94 Ų | 94 | 89.9 Ų | 89.9 | 48% | 0.482 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -68.9 | -45.1 | -180 | -64.7 | 165.4 | 0 | 0 | 0 | 109.8 | S12 I13 K14 K19 K20 | S12-I16 WeakPolarHBondContact O-CG1 3.27Å; S12-I16 PolarHBondContact O-N 3.16Å; I13-I16 PolarHBondContact O-N 3.25Å; K14-I16 PolarHBondContact O-N 2.85Å; I16-K19 PolarHBondContact O-N 3.28Å; I16-K20 HydrophobicContact CG2-CD 4.46Å; I16-K20 PolarHBondContact O-N 2.97Å |
| 17 | I | 62.8 | Low | 61.2 | Low | 41 Ų | 41 | 89.5 Ų | 89.5 | 21% | 0.21 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -61 | -46.9 | 176.4 | -66.1 | 172.4 | 0 | 0 | 0 | 109.9 | F6 I13 K14 K19 K20 I21 | F6-I17 HydrophobicContact CE1-CD1 4.35Å; F6-I17 HydrophobicContact CE1-CG2 3.8Å; F6-I17 HydrophobicContact CZ-CG2 4.17Å; I13-I17 HydrophobicContact CG2-CD1 3.53Å; I13-I17 HydrophobicContact CG2-CG1 4.15Å; I13-I17 WeakPolarHBondContact O-CB 3.46Å; I13-I17 VanDerWaalsContact O-CG1 3.27Å; I13-I17 WeakPolarHBondContact O-CG1 3.2Å; I13-I17 PolarHBondContact O-N 3.36Å; K14-I17 PolarHBondContact O-N 3.5Å; I17-K19 PolarHBondContact O-N 3.33Å; I17-K20 PolarHBondContact O-N 3.08Å; I17-I21 HydrophobicContact CG2-CD1 3.26Å; I17-I21 HydrophobicContact CG2-CG1 3.92Å; I17-I21 VanDerWaalsContact O-CB 3.31Å; I17-I21 WeakPolarHBondContact O-CB 3.45Å; I17-I21 VanDerWaalsContact O-CG1 3.22Å; I17-I21 WeakPolarHBondContact O-CG1 3.13Å; I17-I21 PolarHBondContact O-N 3.37Å |
| 18 | F | 63.2 | Low | 61.6 | Low | 141 Ų | 141 | 85.2 Ų | 85.2 | 62% | 0.618 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -60.4 | -42.7 | 176.8 | -97.5 | -82.1 | 0 | 0 | 0 | 112.7 | K14 S15 K20 I21 K22 | K14-F18 WeakPolarHBondContact O-CB 3.36Å; K14-F18 WeakPolarHBondContact O-CD2 3.22Å; K14-F18 PolarHBondContact O-N 3.25Å; S15-F18 PolarHBondContact O-N 3.37Å; F18-K20 PolarHBondContact O-N 2.98Å; F18-I21 PolarHBondContact O-N 2.94Å; F18-K22 WeakPolarHBondContact O-CB 3.49Å; F18-K22 PolarHBondContact O-N 3.24Å |
| 19 | K | 66.7 | Low | 62.1 | Low | 168 Ų | 168 | 86.4 Ų | 86.4 | 73% | 0.73 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -62.4 | -40.1 | 176.1 | -83.5 | -175.3 | 176.9 | -179.1 | 0 | 112.4 | S15 I16 I17 P23 | S15-K19 WeakPolarHBondContact O-CB 3.45Å; S15-K19 PolarHBondContact O-N 3.36Å; I16-K19 PolarHBondContact O-N 3.28Å; I17-K19 PolarHBondContact O-N 3.33Å; K19-P23 WeakPolarHBondContact O-CD 3.37Å |
| 20 | K | 67.4 | Low | 62.6 | Low | 149 Ų | 149 | 91.1 Ų | 91.1 | 65% | 0.648 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -74.8 | -35.1 | 177.8 | -74.4 | -173 | 176.1 | -176.3 | 0 | 112.9 | I16 I17 F18 P23 I24 | I16-K20 HydrophobicContact CG2-CD 4.46Å; I16-K20 PolarHBondContact O-N 2.97Å; I17-K20 PolarHBondContact O-N 3.08Å; F18-K20 PolarHBondContact O-N 2.98Å; K20-P23 WeakPolarHBondContact O-CD 3.27Å; K20-P23 WeakPolarHBondContact O-CG 3.38Å; K20-I24 WeakPolarHBondContact O-CD1 3.35Å |
| 21 | I | 68.9 | Low | 62.9 | Low | 52 Ų | 52 | 91.6 Ų | 91.6 | 27% | 0.267 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -76.3 | -33.5 | -179 | -69.5 | -179.8 | 0 | 0 | 0 | 111.9 | I17 F18 I24 I25 | I17-I21 HydrophobicContact CG2-CD1 3.26Å; I17-I21 HydrophobicContact CG2-CG1 3.92Å; I17-I21 VanDerWaalsContact O-CB 3.31Å; I17-I21 WeakPolarHBondContact O-CB 3.45Å; I17-I21 VanDerWaalsContact O-CG1 3.22Å; I17-I21 WeakPolarHBondContact O-CG1 3.13Å; I17-I21 PolarHBondContact O-N 3.37Å; F18-I21 PolarHBondContact O-N 2.94Å; I21-I24 WeakPolarHBondContact O-CB 3.34Å; I21-I24 PolarHBondContact O-N 2.65Å; I21-I24 VanDerWaalsContact O-N 3.08Å; I21-I25 HydrophobicContact CG2-CD1 3.48Å; I21-I25 VanDerWaalsContact CG2-CD1 3.48Å; I21-I25 HydrophobicContact CG2-CG1 3.77Å; I21-I25 PolarHBondContact O-N 2.87Å |
| 22 | K | 68.1 | Low | 62.9 | Low | 161 Ų | 161 | 86.5 Ų | 86.5 | 70% | 0.7 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -52.5 | -49.4 | -178.7 | -170.3 | 174.8 | -177.7 | -179.1 | 0 | 114.8 | F18 I24 I25 L26 | F18-K22 WeakPolarHBondContact O-CB 3.49Å; F18-K22 PolarHBondContact O-N 3.24Å; K22-I24 VanDerWaalsContact C-N 3.31Å; K22-I24 PolarHBondContact O-N 3.32Å; K22-I25 PolarHBondContact O-N 3.35Å; K22-L26 PolarHBondContact O-N 3.17Å; K22-L26 VanDerWaalsContact O-N 3.08Å |
| 23 | P | 67.2 | Low | 63.1 | Low | 75 Ų | 75 | 90.8 Ų | 90.8 | 49% | 0.487 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -66.6 | -33.4 | 177.2 | 25.3 | -34.2 | 0 | 0 | 0 | 112.4 | K19 K20 L26 S27 | K19-P23 WeakPolarHBondContact O-CD 3.37Å; K20-P23 WeakPolarHBondContact O-CD 3.27Å; K20-P23 WeakPolarHBondContact O-CG 3.38Å; P23-L26 PolarHBondContact O-N 3.29Å; P23-S27 PolarHBondContact O-N 3.38Å; P23-S27 PolarHBondContact O-OG 2.96Å |
| 24 | I | 69.8 | Low | 63.5 | Low | 62 Ų | 62 | 93.2 Ų | 93.2 | 32% | 0.318 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.5 | -52.4 | 176.5 | -59.4 | 173.2 | 0 | 0 | 0 | 108.8 | K20 I21 K22 L26 S27 F28 | K20-I24 WeakPolarHBondContact O-CD1 3.35Å; I21-I24 WeakPolarHBondContact O-CB 3.34Å; I21-I24 PolarHBondContact O-N 2.65Å; I21-I24 VanDerWaalsContact O-N 3.08Å; K22-I24 VanDerWaalsContact C-N 3.31Å; K22-I24 PolarHBondContact O-N 3.32Å; I24-L26 VanDerWaalsContact C-N 3.32Å; I24-L26 PolarHBondContact O-N 3.45Å; I24-S27 PolarHBondContact O-N 3.47Å; I24-S27 PolarHBondContact O-OG 3.44Å; I24-F28 HydrophobicContact CG2-CD2 3.69Å; I24-F28 HydrophobicContact CG2-CE2 3.55Å; I24-F28 WeakPolarHBondContact O-CD2 3.11Å; I24-F28 PolarHBondContact O-N 2.98Å |
| 25 | I | 66.2 | Low | 63.7 | Low | 92 Ų | 92 | 95.2 Ų | 95.2 | 47% | 0.472 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.2 | -43.1 | 177.6 | -63.4 | 173.3 | 0 | 0 | 0 | 111.8 | I21 K22 S27 F28 N29 | I21-I25 HydrophobicContact CG2-CD1 3.48Å; I21-I25 VanDerWaalsContact CG2-CD1 3.48Å; I21-I25 HydrophobicContact CG2-CG1 3.77Å; I21-I25 PolarHBondContact O-N 2.87Å; K22-I25 PolarHBondContact O-N 3.35Å; I25-S27 PolarHBondContact O-N 3.08Å; I25-F28 PolarHBondContact O-N 3.15Å; I25-F28 VanDerWaalsContact O-N 3.16Å; I25-N29 PolarHBondContact O-N 3.02Å |
| 26 | L | 67.6 | Low | 63.6 | Low | 114 Ų | 114 | 100.8 Ų | 100.8 | 60% | 0.597 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.3 | -45.4 | 179.8 | -174.2 | 68.8 | 0 | 0 | 0 | 111.8 | K22 P23 I24 F28 N29 L30 | K22-L26 PolarHBondContact O-N 3.17Å; K22-L26 VanDerWaalsContact O-N 3.08Å; P23-L26 PolarHBondContact O-N 3.29Å; I24-L26 VanDerWaalsContact C-N 3.32Å; I24-L26 PolarHBondContact O-N 3.45Å; L26-F28 PolarHBondContact O-N 2.9Å; L26-N29 PolarHBondContact O-N 3.31Å; L26-L30 PolarHBondContact O-N 2.86Å |
| 27 | S | 65.1 | Low | 63.8 | Low | 56 Ų | 56 | 103.1 Ų | 103.1 | 39% | 0.392 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.6 | -32.7 | 175.8 | 68.9 | 0 | 0 | 0 | 0 | 112.3 | P23 I24 I25 N31 | P23-S27 PolarHBondContact O-N 3.38Å; P23-S27 PolarHBondContact O-OG 2.96Å; I24-S27 PolarHBondContact O-N 3.47Å; I24-S27 PolarHBondContact O-OG 3.44Å; I25-S27 PolarHBondContact O-N 3.08Å; S27-N31 PolarHBondContact O-N 3.03Å |
| 28 | F | 59.4 | Low | 64 | Low | 35 Ų | 35 | 105.1 Ų | 105.1 | 15% | 0.154 | 54% | 0.536 | C | S | . | . | H | α-helix | trans | -72.8 | -41.5 | 177.5 | -86.7 | -67.5 | 0 | 0 | 0 | 113.5 | I24 I25 L26 L30 N31 I32 C43 I47 | I24-F28 HydrophobicContact CG2-CD2 3.69Å; I24-F28 HydrophobicContact CG2-CE2 3.55Å; I24-F28 WeakPolarHBondContact O-CD2 3.11Å; I24-F28 PolarHBondContact O-N 2.98Å; I25-F28 PolarHBondContact O-N 3.15Å; I25-F28 VanDerWaalsContact O-N 3.16Å; L26-F28 PolarHBondContact O-N 2.9Å; F28-L30 PolarHBondContact O-N 3.48Å; F28-N31 PolarHBondContact O-N 3.41Å; F28-N31 VanDerWaalsContact O-N 3.13Å; F28-I32 HydrophobicContact CB-CD1 4.4Å; F28-I32 WeakPolarHBondContact O-CB 3.39Å; F28-I32 WeakPolarHBondContact O-CD1 3.35Å; F28-I32 WeakPolarHBondContact O-CG1 3.4Å; F28-I32 PolarHBondContact O-N 3.41Å; F28-C43 VanDerWaalsContact CE1-SG 3.58Å; F28-I47 HydrophobicContact CB-CD1 4.23Å; F28-I47 HydrophobicContact CD1-CD1 3.18Å; F28-I47 HydrophobicContact CD1-CG1 3.67Å; F28-I47 HydrophobicContact CD2-CD1 3.89Å; F28-I47 HydrophobicContact CD2-CG1 3.99Å; F28-I47 HydrophobicContact CE1-CD1 3.36Å; F28-I47 HydrophobicContact CE1-CG1 3.25Å; F28-I47 HydrophobicContact CE2-CD1 4.06Å; F28-I47 HydrophobicContact CE2-CG1 3.65Å; F28-I47 HydrophobicContact CG-CD1 3.49Å; F28-I47 VanDerWaalsContact CG-CD1 3.49Å; F28-I47 HydrophobicContact CG-CG1 4.04Å; F28-I47 HydrophobicContact CZ-CD1 3.83Å; F28-I47 HydrophobicContact CZ-CG1 3.27Å |
| 29 | N | 62.3 | Low | 64.5 | Low | 101 Ų | 101 | 99.9 Ų | 99.9 | 54% | 0.54 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.2 | -36.5 | 175.5 | -80.2 | -6.7 | 0 | 0 | 0 | 112 | I25 L26 L33 | I25-N29 PolarHBondContact O-N 3.02Å; L26-N29 PolarHBondContact O-N 3.31Å; N29-L33 PolarHBondContact O-N 3.27Å |
| 30 | L | 60.4 | Low | 64.8 | Low | 127 Ų | 127 | 94.3 Ų | 94.3 | 67% | 0.665 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -67.5 | -44.5 | 175 | -69.1 | 171.8 | 0 | 0 | 0 | 112 | L26 F28 | L26-L30 PolarHBondContact O-N 2.86Å; F28-L30 PolarHBondContact O-N 3.48Å |
| 31 | N | 57.9 | Low | 65.3 | Low | 84 Ų | 84 | 92.6 Ų | 92.6 | 45% | 0.449 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.8 | -40.8 | -179.5 | -77.4 | -7 | 0 | 0 | 0 | 112.5 | S27 F28 L33 S34 F35 | S27-N31 PolarHBondContact O-N 3.03Å; F28-N31 PolarHBondContact O-N 3.41Å; F28-N31 VanDerWaalsContact O-N 3.13Å; N31-L33 VanDerWaalsContact C-N 3.26Å; N31-L33 PolarHBondContact O-N 3.28Å; N31-S34 PolarHBondContact O-N 3.05Å; N31-S34 VanDerWaalsContact O-N 3.07Å; N31-S34 PolarHBondContact O-OG 2.85Å; N31-F35 HydrophobicContact CB-CE2 4.22Å; N31-F35 WeakPolarHBondContact O-CD2 3.36Å |
| 32 | I | 57.7 | Low | 65.6 | Low | 40 Ų | 40 | 95.9 Ų | 95.9 | 21% | 0.205 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -59.3 | -35.7 | 179.7 | -73.3 | 165.2 | 0 | 0 | 0 | 111.9 | F28 S34 F35 L40 L44 | F28-I32 HydrophobicContact CB-CD1 4.4Å; F28-I32 WeakPolarHBondContact O-CB 3.39Å; F28-I32 WeakPolarHBondContact O-CD1 3.35Å; F28-I32 WeakPolarHBondContact O-CG1 3.4Å; F28-I32 PolarHBondContact O-N 3.41Å; I32-S34 PolarHBondContact O-N 3.49Å; I32-S34 VanDerWaalsContact O-N 3.12Å; I32-F35 PolarHBondContact O-N 2.96Å; I32-F35 VanDerWaalsContact O-N 3.15Å; I32-L40 HydrophobicContact CG2-CD1 3.54Å; I32-L40 HydrophobicContact CG2-CG 3.87Å; I32-L44 HydrophobicContact CD1-CD2 4.49Å |
| 33 | L | 59.9 | Low | 66 | Low | 163 Ų | 163 | 89 Ų | 89 | 85% | 0.853 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -24.3 | 178.1 | -150.4 | 90.3 | 0 | 0 | 0 | 112.8 | N29 N31 | N29-L33 PolarHBondContact O-N 3.27Å; N31-L33 VanDerWaalsContact C-N 3.26Å; N31-L33 PolarHBondContact O-N 3.28Å |
| 34 | S | 63.4 | Low | 66.6 | Low | 92 Ų | 92 | 89.2 Ų | 89.2 | 64% | 0.643 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -10.1 | -179.1 | 83.7 | 0 | 0 | 0 | 0 | 114.6 | N31 I32 | N31-S34 PolarHBondContact O-N 3.05Å; N31-S34 VanDerWaalsContact O-N 3.07Å; N31-S34 PolarHBondContact O-OG 2.85Å; I32-S34 PolarHBondContact O-N 3.49Å; I32-S34 VanDerWaalsContact O-N 3.12Å |
| 35 | F | 57 | Low | 67 | Low | 91 Ų | 91 | 91.2 Ų | 91.2 | 40% | 0.399 | 49% | 0.489 | S | S | . | . | trans | -100.3 | 125.4 | -167.9 | -81.1 | -60 | 0 | 0 | 0 | 112.7 | N31 I32 S39 | N31-F35 HydrophobicContact CB-CE2 4.22Å; N31-F35 WeakPolarHBondContact O-CD2 3.36Å; I32-F35 PolarHBondContact O-N 2.96Å; I32-F35 VanDerWaalsContact O-N 3.15Å; F35-S39 VanDerWaalsContact CB-OG 3.27Å; F35-S39 WeakPolarHBondContact CB-OG 3.32Å; F35-S39 WeakPolarHBondContact CD1-OG 3.45Å | ||
| 36 | K | 60.4 | Low | 67.6 | Low | 179 Ų | 179 | 89.8 Ų | 89.8 | 78% | 0.778 | 49% | 0.487 | S | S | * | . | trans | -59.9 | 155.8 | 168.1 | -79.6 | -177.8 | 175.4 | 179.4 | 0 | 110.6 | S38 S39 L40 | K36-S38 VanDerWaalsContact C-N 3.26Å; K36-S38 PolarHBondContact O-N 2.96Å; K36-S39 PolarHBondContact N-OG 3.21Å; K36-S39 VanDerWaalsContact N-OG 3.17Å; K36-S39 PolarHBondContact O-N 2.81Å; K36-S39 PolarHBondContact O-OG 3.41Å; K36-L40 PolarHBondContact O-N 3.45Å | ||
| 37 | N | 67.8 | Low | 68.3 | Low | 142 Ų | 142 | 85.6 Ų | 85.6 | 76% | 0.759 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -43.9 | -38 | -168.4 | -64.8 | -6.1 | 0 | 0 | 0 | 116.3 | ||
| 38 | S | 68.7 | Low | 69.2 | Low | 84 Ų | 84 | 88.4 Ų | 88.4 | 59% | 0.587 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -73.2 | -43 | 178.7 | 55.2 | 0 | 0 | 0 | 0 | 113.3 | K36 L40 I41 L42 | K36-S38 VanDerWaalsContact C-N 3.26Å; K36-S38 PolarHBondContact O-N 2.96Å; S38-L40 VanDerWaalsContact C-N 3.26Å; S38-L40 PolarHBondContact O-N 3.31Å; S38-I41 PolarHBondContact O-N 3.44Å; S38-L42 PolarHBondContact O-N 2.87Å |
| 39 | S | 73.8 | Confident | 70.2 | Confident | 31 Ų | 31 | 91.3 Ų | 91.3 | 22% | 0.217 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -66.4 | -28 | 178.3 | 42 | 0 | 0 | 0 | 0 | 113 | F35 K36 C43 | F35-S39 VanDerWaalsContact CB-OG 3.27Å; F35-S39 WeakPolarHBondContact CB-OG 3.32Å; F35-S39 WeakPolarHBondContact CD1-OG 3.45Å; K36-S39 PolarHBondContact N-OG 3.21Å; K36-S39 VanDerWaalsContact N-OG 3.17Å; K36-S39 PolarHBondContact O-N 2.81Å; K36-S39 PolarHBondContact O-OG 3.41Å; S39-C43 WeakPolarHBondContact O-CB 3.28Å; S39-C43 PolarHBondContact O-N 3.48Å |
| 40 | L | 72.9 | Confident | 71.3 | Confident | 50 Ų | 50 | 90.2 Ų | 90.2 | 26% | 0.262 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.5 | -42.6 | 175.1 | -162.5 | 159.5 | 0 | 0 | 0 | 111.2 | I32 K36 S38 C43 L44 | I32-L40 HydrophobicContact CG2-CD1 3.54Å; I32-L40 HydrophobicContact CG2-CG 3.87Å; K36-L40 PolarHBondContact O-N 3.45Å; S38-L40 VanDerWaalsContact C-N 3.26Å; S38-L40 PolarHBondContact O-N 3.31Å; L40-C43 WeakPolarHBondContact O-CB 3.31Å; L40-C43 PolarHBondContact O-N 3.34Å; L40-L44 HydrophobicContact CD2-CD1 3.47Å; L40-L44 VanDerWaalsContact CD2-CD1 3.47Å; L40-L44 HydrophobicContact CD2-CG 3.94Å; L40-L44 WeakPolarHBondContact O-CG 3.31Å; L40-L44 PolarHBondContact O-N 3.42Å |
| 41 | I | 76.3 | Confident | 72.6 | Confident | 113 Ų | 113 | 87.9 Ų | 87.9 | 58% | 0.579 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -64 | -46.2 | 177 | -63.4 | 167.7 | 0 | 0 | 0 | 110.7 | S38 C43 L44 L45 | S38-I41 PolarHBondContact O-N 3.44Å; I41-C43 VanDerWaalsContact C-N 3.31Å; I41-C43 PolarHBondContact O-N 3.23Å; I41-L44 PolarHBondContact O-N 3.48Å; I41-L45 WeakPolarHBondContact O-CB 3.47Å; I41-L45 PolarHBondContact O-N 2.93Å |
| 42 | L | 76 | Confident | 73.7 | Confident | 122 Ų | 122 | 90.8 Ų | 90.8 | 64% | 0.639 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -59.6 | -42.7 | 175.5 | -83.6 | 152.1 | 0 | 0 | 0 | 111.7 | S38 L45 S46 | S38-L42 PolarHBondContact O-N 2.87Å; L42-L45 PolarHBondContact O-N 3.47Å; L42-S46 WeakPolarHBondContact O-CB 3.22Å; L42-S46 PolarHBondContact O-N 2.93Å |
| 43 | C | 77.2 | Confident | 75 | Confident | 17 Ų | 17 | 93 Ų | 93 | 12% | 0.115 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -60.5 | -51.6 | 175.5 | -172.2 | 0 | 0 | 0 | 0 | 110.9 | F28 S39 L40 I41 L45 S46 I47 | F28-C43 VanDerWaalsContact CE1-SG 3.58Å; S39-C43 WeakPolarHBondContact O-CB 3.28Å; S39-C43 PolarHBondContact O-N 3.48Å; L40-C43 WeakPolarHBondContact O-CB 3.31Å; L40-C43 PolarHBondContact O-N 3.34Å; I41-C43 VanDerWaalsContact C-N 3.31Å; I41-C43 PolarHBondContact O-N 3.23Å; C43-L45 VanDerWaalsContact C-N 3.32Å; C43-L45 PolarHBondContact O-N 2.95Å; C43-S46 PolarHBondContact O-N 3.44Å; C43-S46 PolarHBondContact O-OG 3.28Å; C43-I47 VanDerWaalsContact O-CG1 3.27Å; C43-I47 WeakPolarHBondContact O-CG1 3.48Å; C43-I47 PolarHBondContact O-N 2.92Å |
| 44 | L | 79 | Confident | 76.2 | Confident | 78 Ų | 78 | 89.3 Ų | 89.3 | 41% | 0.408 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -58.2 | -42 | 176 | -72.5 | 175.2 | 0 | 0 | 0 | 112.7 | I32 L40 I41 S46 I47 I48 | I32-L44 HydrophobicContact CD1-CD2 4.49Å; L40-L44 HydrophobicContact CD2-CD1 3.47Å; L40-L44 VanDerWaalsContact CD2-CD1 3.47Å; L40-L44 HydrophobicContact CD2-CG 3.94Å; L40-L44 WeakPolarHBondContact O-CG 3.31Å; L40-L44 PolarHBondContact O-N 3.42Å; I41-L44 PolarHBondContact O-N 3.48Å; L44-S46 VanDerWaalsContact C-N 3.34Å; L44-S46 PolarHBondContact O-N 2.9Å; L44-I47 HydrophobicContact CD2-CD1 4.31Å; L44-I47 WeakPolarHBondContact O-CB 3.41Å; L44-I47 PolarHBondContact O-N 3.12Å; L44-I48 WeakPolarHBondContact O-CG1 3.39Å; L44-I48 PolarHBondContact O-N 2.87Å |
| 45 | L | 77.8 | Confident | 77 | Confident | 105 Ų | 105 | 87.9 Ų | 87.9 | 55% | 0.55 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.9 | -43.1 | 178 | -157.6 | 99.6 | 0 | 0 | 0 | 111.2 | I41 L42 C43 I47 I48 L49 | I41-L45 WeakPolarHBondContact O-CB 3.47Å; I41-L45 PolarHBondContact O-N 2.93Å; L42-L45 PolarHBondContact O-N 3.47Å; C43-L45 VanDerWaalsContact C-N 3.32Å; C43-L45 PolarHBondContact O-N 2.95Å; L45-I47 VanDerWaalsContact C-N 3.29Å; L45-I47 PolarHBondContact O-N 3.37Å; L45-I48 PolarHBondContact O-N 3.36Å; L45-L49 HydrophobicContact CD2-CD1 4.34Å; L45-L49 PolarHBondContact O-N 3.42Å |
| 46 | S | 79 | Confident | 78 | Confident | 62 Ų | 62 | 89.8 Ų | 89.8 | 43% | 0.434 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.9 | -36 | 177.1 | 76.4 | 0 | 0 | 0 | 0 | 112.3 | L42 C43 L44 L49 L50 | L42-S46 WeakPolarHBondContact O-CB 3.22Å; L42-S46 PolarHBondContact O-N 2.93Å; C43-S46 PolarHBondContact O-N 3.44Å; C43-S46 PolarHBondContact O-OG 3.28Å; L44-S46 VanDerWaalsContact C-N 3.34Å; L44-S46 PolarHBondContact O-N 2.9Å; S46-L49 PolarHBondContact O-N 3.33Å; S46-L50 WeakPolarHBondContact O-CB 3.33Å; S46-L50 PolarHBondContact O-N 3.45Å |
| 47 | I | 81.8 | Confident | 78.7 | Confident | 26 Ų | 26 | 86.5 Ų | 86.5 | 13% | 0.133 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -65.7 | -46.9 | 175.4 | -65 | 164.5 | 0 | 0 | 0 | 110.8 | F28 C43 L44 L45 L49 L50 I51 | F28-I47 HydrophobicContact CB-CD1 4.23Å; F28-I47 HydrophobicContact CD1-CD1 3.18Å; F28-I47 HydrophobicContact CD1-CG1 3.67Å; F28-I47 HydrophobicContact CD2-CD1 3.89Å; F28-I47 HydrophobicContact CD2-CG1 3.99Å; F28-I47 HydrophobicContact CE1-CD1 3.36Å; F28-I47 HydrophobicContact CE1-CG1 3.25Å; F28-I47 HydrophobicContact CE2-CD1 4.06Å; F28-I47 HydrophobicContact CE2-CG1 3.65Å; F28-I47 HydrophobicContact CG-CD1 3.49Å; F28-I47 VanDerWaalsContact CG-CD1 3.49Å; F28-I47 HydrophobicContact CG-CG1 4.04Å; F28-I47 HydrophobicContact CZ-CD1 3.83Å; F28-I47 HydrophobicContact CZ-CG1 3.27Å; C43-I47 VanDerWaalsContact O-CG1 3.27Å; C43-I47 WeakPolarHBondContact O-CG1 3.48Å; C43-I47 PolarHBondContact O-N 2.92Å; L44-I47 HydrophobicContact CD2-CD1 4.31Å; L44-I47 WeakPolarHBondContact O-CB 3.41Å; L44-I47 PolarHBondContact O-N 3.12Å; L45-I47 VanDerWaalsContact C-N 3.29Å; L45-I47 PolarHBondContact O-N 3.37Å; I47-L49 VanDerWaalsContact C-N 3.28Å; I47-L49 PolarHBondContact O-N 3.26Å; I47-L50 PolarHBondContact O-N 2.85Å; I47-L50 VanDerWaalsContact O-N 3.15Å; I47-I51 HydrophobicContact CG2-CD1 3.72Å; I47-I51 HydrophobicContact CG2-CG1 4.29Å; I47-I51 VanDerWaalsContact O-CG1 3.32Å; I47-I51 WeakPolarHBondContact O-CG1 3.27Å; I47-I51 PolarHBondContact O-N 3.43Å |
| 48 | I | 84.1 | Confident | 79.1 | Confident | 115 Ų | 115 | 83 Ų | 83 | 59% | 0.59 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -60.9 | -42.8 | -179.9 | -67.6 | 166.6 | 0 | 0 | 0 | 110 | L44 L45 I51 F52 | L44-I48 WeakPolarHBondContact O-CG1 3.39Å; L44-I48 PolarHBondContact O-N 2.87Å; L45-I48 PolarHBondContact O-N 3.36Å; I48-I51 PolarHBondContact O-N 2.9Å; I48-F52 WeakPolarHBondContact O-CB 3.46Å; I48-F52 PolarHBondContact O-N 2.96Å |
| 49 | L | 80.2 | Confident | 79.5 | Confident | 96 Ų | 96 | 85.1 Ų | 85.1 | 50% | 0.503 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59.7 | -46.2 | 172.8 | -94 | 151.8 | 0 | 0 | 0 | 112.2 | L45 S46 I47 F52 I53 | L45-L49 HydrophobicContact CD2-CD1 4.34Å; L45-L49 PolarHBondContact O-N 3.42Å; S46-L49 PolarHBondContact O-N 3.33Å; I47-L49 VanDerWaalsContact C-N 3.28Å; I47-L49 PolarHBondContact O-N 3.26Å; L49-F52 WeakPolarHBondContact O-CB 3.46Å; L49-F52 PolarHBondContact O-N 3.19Å; L49-I53 VanDerWaalsContact O-CG1 3.31Å; L49-I53 WeakPolarHBondContact O-CG1 3.42Å; L49-I53 PolarHBondContact O-N 2.86Å |
| 50 | L | 86.6 | Confident | 79.4 | Confident | 78 Ų | 78 | 88.1 Ų | 88.1 | 41% | 0.408 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.8 | -44.4 | 179 | -173.2 | 69.1 | 0 | 0 | 0 | 111.8 | S46 I47 F52 I53 I54 | S46-L50 WeakPolarHBondContact O-CB 3.33Å; S46-L50 PolarHBondContact O-N 3.45Å; I47-L50 PolarHBondContact O-N 2.85Å; I47-L50 VanDerWaalsContact O-N 3.15Å; L50-F52 VanDerWaalsContact C-N 3.3Å; L50-F52 PolarHBondContact O-N 3.26Å; L50-I53 PolarHBondContact O-N 3.46Å; L50-I54 HydrophobicContact CD1-CD1 4.4Å; L50-I54 HydrophobicContact CG-CD1 3.96Å; L50-I54 VanDerWaalsContact O-CG1 3.28Å; L50-I54 WeakPolarHBondContact O-CG1 3.41Å; L50-I54 PolarHBondContact O-N 3Å |
| 51 | I | 87.6 | Confident | 79.2 | Confident | 78 Ų | 78 | 92 Ų | 92 | 40% | 0.4 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.4 | -43.7 | 175.7 | -68.1 | 169.1 | 0 | 0 | 0 | 110 | I47 I48 I54 S55 | I47-I51 HydrophobicContact CG2-CD1 3.72Å; I47-I51 HydrophobicContact CG2-CG1 4.29Å; I47-I51 VanDerWaalsContact O-CG1 3.32Å; I47-I51 WeakPolarHBondContact O-CG1 3.27Å; I47-I51 PolarHBondContact O-N 3.43Å; I48-I51 PolarHBondContact O-N 2.9Å; I51-I54 PolarHBondContact O-N 2.91Å; I51-S55 WeakPolarHBondContact O-CB 3.41Å; I51-S55 PolarHBondContact O-N 2.96Å; I51-S55 PolarHBondContact O-OG 2.85Å; I51-S55 VanDerWaalsContact O-OG 3.12Å |
| 52 | F | 80.8 | Confident | 78.7 | Confident | 144 Ų | 144 | 90.2 Ų | 90.2 | 63% | 0.632 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -61.5 | -45.1 | 178.4 | -170.6 | -99.5 | 0 | 0 | 0 | 112.2 | I48 L49 L50 S55 F56 | I48-F52 WeakPolarHBondContact O-CB 3.46Å; I48-F52 PolarHBondContact O-N 2.96Å; L49-F52 WeakPolarHBondContact O-CB 3.46Å; L49-F52 PolarHBondContact O-N 3.19Å; L50-F52 VanDerWaalsContact C-N 3.3Å; L50-F52 PolarHBondContact O-N 3.26Å; F52-S55 PolarHBondContact O-N 3.46Å; F52-F56 WeakPolarHBondContact O-CB 3.46Å; F52-F56 PolarHBondContact O-N 3.17Å |
| 53 | I | 84.4 | Confident | 78.1 | Confident | 86 Ų | 86 | 88.1 Ų | 88.1 | 44% | 0.441 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.1 | -45.9 | 177 | -68.8 | 165 | 0 | 0 | 0 | 110.9 | L49 L50 F56 L57 | L49-I53 VanDerWaalsContact O-CG1 3.31Å; L49-I53 WeakPolarHBondContact O-CG1 3.42Å; L49-I53 PolarHBondContact O-N 2.86Å; L50-I53 PolarHBondContact O-N 3.46Å; I53-F56 PolarHBondContact O-N 3.38Å; I53-L57 HydrophobicContact CG2-CD1 3.76Å; I53-L57 WeakPolarHBondContact O-CB 3.33Å; I53-L57 PolarHBondContact O-N 3.29Å |
| 54 | I | 85.2 | Confident | 77.4 | Confident | 86 Ų | 86 | 91 Ų | 91 | 44% | 0.441 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.4 | -43.7 | 178.4 | -67.6 | 167.5 | 0 | 0 | 0 | 110.8 | L50 I51 F56 L57 H58 | L50-I54 HydrophobicContact CD1-CD1 4.4Å; L50-I54 HydrophobicContact CG-CD1 3.96Å; L50-I54 VanDerWaalsContact O-CG1 3.28Å; L50-I54 WeakPolarHBondContact O-CG1 3.41Å; L50-I54 PolarHBondContact O-N 3Å; I51-I54 PolarHBondContact O-N 2.91Å; I54-F56 VanDerWaalsContact C-N 3.33Å; I54-F56 PolarHBondContact O-N 3.31Å; I54-L57 PolarHBondContact O-N 2.92Å; I54-H58 WeakPolarHBondContact O-CB 3.36Å; I54-H58 PolarHBondContact O-N 3.45Å |
| 55 | S | 79.6 | Confident | 76.6 | Confident | 63 Ų | 63 | 94.1 Ų | 94.1 | 44% | 0.441 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62 | -40.6 | 176 | -68.3 | 0 | 0 | 0 | 0 | 112.1 | I51 F52 F59 | I51-S55 WeakPolarHBondContact O-CB 3.41Å; I51-S55 PolarHBondContact O-N 2.96Å; I51-S55 PolarHBondContact O-OG 2.85Å; I51-S55 VanDerWaalsContact O-OG 3.12Å; F52-S55 PolarHBondContact O-N 3.46Å; S55-F59 WeakPolarHBondContact O-CB 3.37Å; S55-F59 PolarHBondContact O-N 3.3Å |
| 56 | F | 78.5 | Confident | 75.9 | Confident | 131 Ų | 131 | 93.8 Ų | 93.8 | 58% | 0.575 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -64.9 | -47.3 | 176.5 | -173.6 | -95.5 | 0 | 0 | 0 | 112 | F52 I53 I54 H58 F59 H60 | F52-F56 WeakPolarHBondContact O-CB 3.46Å; F52-F56 PolarHBondContact O-N 3.17Å; I53-F56 PolarHBondContact O-N 3.38Å; I54-F56 VanDerWaalsContact C-N 3.33Å; I54-F56 PolarHBondContact O-N 3.31Å; F56-H58 PolarHBondContact O-N 3.26Å; F56-F59 PolarHBondContact O-N 2.91Å; F56-H60 WeakPolarHBondContact O-CB 3.32Å; F56-H60 PolarHBondContact O-N 3.12Å |
| 57 | L | 76.3 | Confident | 75.3 | Confident | 109 Ų | 109 | 94.8 Ų | 94.8 | 57% | 0.571 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -58.1 | -46.2 | 175.5 | -86.5 | 154.4 | 0 | 0 | 0 | 111.8 | I53 I54 H60 E61 | I53-L57 HydrophobicContact CG2-CD1 3.76Å; I53-L57 WeakPolarHBondContact O-CB 3.33Å; I53-L57 PolarHBondContact O-N 3.29Å; I54-L57 PolarHBondContact O-N 2.92Å; L57-H60 PolarHBondContact O-N 3.31Å; L57-E61 WeakPolarHBondContact O-CB 3.41Å; L57-E61 PolarHBondContact O-N 2.9Å |
| 58 | H | 74.6 | Confident | 74.6 | Confident | 68 Ų | 68 | 98.5 Ų | 98.5 | 32% | 0.315 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.2 | -38.6 | 179.4 | -175.3 | -82.8 | 0 | 0 | 0 | 112.3 | I54 F56 H60 E61 N62 | I54-H58 WeakPolarHBondContact O-CB 3.36Å; I54-H58 PolarHBondContact O-N 3.45Å; F56-H58 PolarHBondContact O-N 3.26Å; H58-H60 VanDerWaalsContact C-N 3.33Å; H58-E61 PolarHBondContact O-N 2.97Å; H58-N62 PolarHBondContact CE1-ND2 3.34Å; H58-N62 VanDerWaalsContact CE1-ND2 3.31Å; H58-N62 WeakPolarHBondContact O-CB 2.72Å; H58-N62 PolarHBondContact O-N 3.25Å |
| 59 | F | 77.4 | Confident | 73.7 | Confident | 130 Ų | 130 | 97.1 Ų | 97.1 | 57% | 0.57 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63.6 | -42 | 174 | -177 | -106.1 | 0 | 0 | 0 | 111.2 | S55 F56 N62 L63 | S55-F59 WeakPolarHBondContact O-CB 3.37Å; S55-F59 PolarHBondContact O-N 3.3Å; F56-F59 PolarHBondContact O-N 2.91Å; F59-N62 PolarHBondContact O-N 2.89Å; F59-L63 HydrophobicContact CD1-CD1 3.73Å; F59-L63 HydrophobicContact CD1-CG 4.35Å; F59-L63 HydrophobicContact CE1-CD1 3.32Å; F59-L63 HydrophobicContact CE1-CG 4.03Å; F59-L63 HydrophobicContact CZ-CD1 3.87Å; F59-L63 HydrophobicContact CZ-CD2 4.34Å; F59-L63 HydrophobicContact CZ-CG 4.16Å; F59-L63 WeakPolarHBondContact O-CG 3.38Å; F59-L63 PolarHBondContact O-N 3.35Å |
| 60 | H | 71.7 | Confident | 73.2 | Confident | 94 Ų | 94 | 95.2 Ų | 95.2 | 44% | 0.435 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.2 | -41.7 | 176.5 | -170.8 | -88.1 | 0 | 0 | 0 | 112.4 | F56 L57 H58 L63 N64 | F56-H60 WeakPolarHBondContact O-CB 3.32Å; F56-H60 PolarHBondContact O-N 3.12Å; L57-H60 PolarHBondContact O-N 3.31Å; H58-H60 VanDerWaalsContact C-N 3.33Å; H60-L63 PolarHBondContact O-N 3.34Å; H60-N64 PolarHBondContact CE1-ND2 3.45Å; H60-N64 VanDerWaalsContact CE1-ND2 3.28Å; H60-N64 PolarHBondContact ND1-ND2 3.17Å; H60-N64 WeakPolarHBondContact O-CB 3.3Å; H60-N64 PolarHBondContact O-N 3.41Å |
| 61 | E | 69.9 | Low | 72.4 | Confident | 132 Ų | 132 | 99.4 Ų | 99.4 | 62% | 0.617 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63 | -43.9 | 175.1 | -169.2 | 179.2 | 178.2 | 0 | 0 | 111.6 | L57 H58 L63 N64 F65 | L57-E61 WeakPolarHBondContact O-CB 3.41Å; L57-E61 PolarHBondContact O-N 2.9Å; H58-E61 PolarHBondContact O-N 2.97Å; E61-L63 VanDerWaalsContact C-N 3.35Å; E61-L63 PolarHBondContact O-N 3.28Å; E61-N64 PolarHBondContact O-N 3.25Å; E61-F65 PolarHBondContact O-N 2.91Å |
| 62 | N | 65.8 | Low | 71.4 | Confident | 74 Ų | 74 | 98.6 Ų | 98.6 | 40% | 0.396 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.1 | -39.4 | 175.2 | -82.2 | -0.2 | 0 | 0 | 0 | 112.6 | H58 F59 F65 N66 | H58-N62 PolarHBondContact CE1-ND2 3.34Å; H58-N62 VanDerWaalsContact CE1-ND2 3.31Å; H58-N62 WeakPolarHBondContact O-CB 2.72Å; H58-N62 PolarHBondContact O-N 3.25Å; F59-N62 PolarHBondContact O-N 2.89Å; N62-F65 PolarHBondContact O-N 2.84Å; N62-N66 WeakPolarHBondContact O-CB 3.48Å; N62-N66 PolarHBondContact O-N 2.9Å |
| 63 | L | 63.6 | Low | 70.8 | Confident | 79 Ų | 79 | 97.1 Ų | 97.1 | 41% | 0.414 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63 | -46.3 | 173.7 | -78.2 | 175.2 | 0 | 0 | 0 | 111.1 | F59 H60 E61 F65 N66 V67 | F59-L63 HydrophobicContact CD1-CD1 3.73Å; F59-L63 HydrophobicContact CD1-CG 4.35Å; F59-L63 HydrophobicContact CE1-CD1 3.32Å; F59-L63 HydrophobicContact CE1-CG 4.03Å; F59-L63 HydrophobicContact CZ-CD1 3.87Å; F59-L63 HydrophobicContact CZ-CD2 4.34Å; F59-L63 HydrophobicContact CZ-CG 4.16Å; F59-L63 WeakPolarHBondContact O-CG 3.38Å; F59-L63 PolarHBondContact O-N 3.35Å; H60-L63 PolarHBondContact O-N 3.34Å; E61-L63 VanDerWaalsContact C-N 3.35Å; E61-L63 PolarHBondContact O-N 3.28Å; L63-F65 VanDerWaalsContact C-N 3.32Å; L63-F65 PolarHBondContact O-N 3.33Å; L63-N66 PolarHBondContact O-N 3.49Å; L63-V67 VanDerWaalsContact O-CG2 3.32Å; L63-V67 WeakPolarHBondContact O-CG2 3.22Å; L63-V67 PolarHBondContact O-N 2.92Å |
| 64 | N | 61.1 | Low | 70.3 | Confident | 77 Ų | 77 | 98 Ų | 98 | 41% | 0.412 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.9 | -40.3 | 177.2 | -76.6 | -9.3 | 0 | 0 | 0 | 112 | H60 E61 V67 N68 | H60-N64 PolarHBondContact CE1-ND2 3.45Å; H60-N64 VanDerWaalsContact CE1-ND2 3.28Å; H60-N64 PolarHBondContact ND1-ND2 3.17Å; H60-N64 WeakPolarHBondContact O-CB 3.3Å; H60-N64 PolarHBondContact O-N 3.41Å; E61-N64 PolarHBondContact O-N 3.25Å; N64-V67 PolarHBondContact O-N 3.21Å; N64-N68 VanDerWaalsContact O-CB 3.3Å; N64-N68 WeakPolarHBondContact O-CB 3.32Å; N64-N68 PolarHBondContact O-N 2.98Å; N64-N68 PolarHBondContact O-ND2 2.86Å |
| 65 | F | 63.1 | Low | 69.6 | Low | 144 Ų | 144 | 98.8 Ų | 98.8 | 63% | 0.632 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.5 | -44.4 | 174.8 | -173 | -94.3 | 0 | 0 | 0 | 111.5 | E61 N62 L63 N68 H69 | E61-F65 PolarHBondContact O-N 2.91Å; N62-F65 PolarHBondContact O-N 2.84Å; L63-F65 VanDerWaalsContact C-N 3.32Å; L63-F65 PolarHBondContact O-N 3.33Å; F65-N68 PolarHBondContact O-N 3.43Å; F65-H69 WeakPolarHBondContact O-CB 3.36Å; F65-H69 PolarHBondContact O-N 3.45Å |
| 66 | N | 62.9 | Low | 69.3 | Low | 98 Ų | 98 | 97.6 Ų | 97.6 | 52% | 0.524 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.6 | -40.3 | 179 | -165.2 | 33.8 | 0 | 0 | 0 | 112.3 | N62 L63 H69 T70 | N62-N66 WeakPolarHBondContact O-CB 3.48Å; N62-N66 PolarHBondContact O-N 2.9Å; L63-N66 PolarHBondContact O-N 3.49Å; N66-H69 PolarHBondContact O-N 3.12Å; N66-T70 WeakPolarHBondContact O-CB 3.44Å; N66-T70 WeakPolarHBondContact O-CG2 3.32Å; N66-T70 PolarHBondContact O-N 2.88Å; N66-T70 PolarHBondContact O-OG1 2.9Å |
| 67 | V | 67 | Low | 68.9 | Low | 83 Ų | 83 | 98.9 Ų | 98.9 | 50% | 0.503 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.8 | -41.2 | 174.6 | 173.2 | 0 | 0 | 0 | 0 | 111 | L63 N64 T70 R71 | L63-V67 VanDerWaalsContact O-CG2 3.32Å; L63-V67 WeakPolarHBondContact O-CG2 3.22Å; L63-V67 PolarHBondContact O-N 2.92Å; N64-V67 PolarHBondContact O-N 3.21Å; V67-T70 WeakPolarHBondContact CA-OG1 3.28Å; V67-T70 PolarHBondContact O-OG1 3.02Å; V67-R71 WeakPolarHBondContact O-CB 3.37Å; V67-R71 PolarHBondContact O-N 2.75Å |
| 68 | N | 67.4 | Low | 68.7 | Low | 103 Ų | 103 | 98.1 Ų | 98.1 | 55% | 0.551 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -68.7 | -38.1 | 176.9 | -71.3 | -20.6 | 0 | 0 | 0 | 112.2 | N64 F65 A72 | N64-N68 VanDerWaalsContact O-CB 3.3Å; N64-N68 WeakPolarHBondContact O-CB 3.32Å; N64-N68 PolarHBondContact O-N 2.98Å; N64-N68 PolarHBondContact O-ND2 2.86Å; F65-N68 PolarHBondContact O-N 3.43Å; N68-A72 VanDerWaalsContact O-CB 3.28Å; N68-A72 WeakPolarHBondContact O-CB 3.17Å; N68-A72 PolarHBondContact O-N 3.45Å |
| 69 | H | 64.2 | Low | 68.6 | Low | 87 Ų | 87 | 104.3 Ų | 104.3 | 40% | 0.403 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.5 | -49.5 | 176.8 | -164.5 | -72 | 0 | 0 | 0 | 111.3 | F65 N66 R71 A72 E73 | F65-H69 WeakPolarHBondContact O-CB 3.36Å; F65-H69 PolarHBondContact O-N 3.45Å; N66-H69 PolarHBondContact O-N 3.12Å; H69-R71 VanDerWaalsContact C-N 3.32Å; H69-R71 PolarHBondContact O-N 3.4Å; H69-A72 CarbonylContact O-C 3.6Å; H69-A72 WeakPolarHBondContact O-CB 3.43Å; H69-A72 PolarHBondContact O-N 2.83Å; H69-A72 VanDerWaalsContact O-N 3.12Å; H69-E73 IonicContact CE1-OE1 3.07Å; H69-E73 PolarHBondContact CE1-OE1 3.38Å; H69-E73 VanDerWaalsContact ND1-CD 3.32Å; H69-E73 IonicContact ND1-OE1 3.28Å; H69-E73 PolarHBondContact ND1-OE1 3.48Å; H69-E73 IonicContact ND1-OE2 3.67Å; H69-E73 WeakPolarHBondContact O-CG 3.44Å; H69-E73 PolarHBondContact O-N 2.9Å |
| 70 | T | 69.6 | Low | 68.3 | Low | 56 Ų | 56 | 105 Ų | 105 | 34% | 0.344 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.6 | -39.2 | 175.7 | 48.7 | 0 | 0 | 0 | 0 | 111.9 | N66 V67 E73 I74 | N66-T70 WeakPolarHBondContact O-CB 3.44Å; N66-T70 WeakPolarHBondContact O-CG2 3.32Å; N66-T70 PolarHBondContact O-N 2.88Å; N66-T70 PolarHBondContact O-OG1 2.9Å; V67-T70 WeakPolarHBondContact CA-OG1 3.28Å; V67-T70 PolarHBondContact O-OG1 3.02Å; T70-E73 PolarHBondContact O-N 2.89Å; T70-I74 WeakPolarHBondContact O-CB 3.2Å; T70-I74 WeakPolarHBondContact O-CD1 3.32Å; T70-I74 WeakPolarHBondContact O-CG1 3.42Å; T70-I74 PolarHBondContact O-N 3.41Å |
| 71 | R | 69.6 | Low | 68.3 | Low | 166 Ų | 166 | 103.4 Ų | 103.4 | 63% | 0.626 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.2 | -40.8 | 172.9 | -172.4 | 176.2 | -178.5 | 171.4 | 1 | 111.9 | V67 H69 I74 L75 | V67-R71 WeakPolarHBondContact O-CB 3.37Å; V67-R71 PolarHBondContact O-N 2.75Å; H69-R71 VanDerWaalsContact C-N 3.32Å; H69-R71 PolarHBondContact O-N 3.4Å; R71-I74 PolarHBondContact O-N 2.91Å; R71-L75 HydrophobicContact CG-CD1 4.05Å; R71-L75 HydrophobicContact CG-CG 4.45Å; R71-L75 WeakPolarHBondContact O-CB 3.42Å; R71-L75 WeakPolarHBondContact O-CG 3.38Å; R71-L75 PolarHBondContact O-N 2.81Å |
| 72 | A | 67.8 | Low | 68.4 | Low | 60 Ų | 60 | 102.8 Ų | 102.8 | 50% | 0.496 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.7 | -40.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | N68 H69 L75 G76 | N68-A72 VanDerWaalsContact O-CB 3.28Å; N68-A72 WeakPolarHBondContact O-CB 3.17Å; N68-A72 PolarHBondContact O-N 3.45Å; H69-A72 CarbonylContact O-C 3.6Å; H69-A72 WeakPolarHBondContact O-CB 3.43Å; H69-A72 PolarHBondContact O-N 2.83Å; H69-A72 VanDerWaalsContact O-N 3.12Å; A72-L75 PolarHBondContact O-N 3.28Å; A72-G76 PolarHBondContact O-N 3.07Å |
| 73 | E | 68.1 | Low | 68.7 | Low | 113 Ų | 113 | 102.4 Ų | 102.4 | 53% | 0.528 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.4 | -46.1 | 174 | -74.4 | 177.1 | 154.2 | 0 | 0 | 111.7 | H69 T70 L75 G76 Y77 | H69-E73 IonicContact CE1-OE1 3.07Å; H69-E73 PolarHBondContact CE1-OE1 3.38Å; H69-E73 VanDerWaalsContact ND1-CD 3.32Å; H69-E73 IonicContact ND1-OE1 3.28Å; H69-E73 PolarHBondContact ND1-OE1 3.48Å; H69-E73 IonicContact ND1-OE2 3.67Å; H69-E73 WeakPolarHBondContact O-CG 3.44Å; H69-E73 PolarHBondContact O-N 2.9Å; T70-E73 PolarHBondContact O-N 2.89Å; E73-L75 PolarHBondContact O-N 2.71Å; E73-G76 PolarHBondContact O-N 3.46Å; E73-Y77 WeakPolarHBondContact O-CB 3.47Å; E73-Y77 PolarHBondContact O-N 2.92Å |
| 74 | I | 73.2 | Confident | 69 | Low | 104 Ų | 104 | 101.3 Ų | 101.3 | 53% | 0.533 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 176.8 | -67.5 | 163.7 | 0 | 0 | 0 | 110.7 | T70 R71 Y77 N78 | T70-I74 WeakPolarHBondContact O-CB 3.2Å; T70-I74 WeakPolarHBondContact O-CD1 3.32Å; T70-I74 WeakPolarHBondContact O-CG1 3.42Å; T70-I74 PolarHBondContact O-N 3.41Å; R71-I74 PolarHBondContact O-N 2.91Å; I74-Y77 PolarHBondContact O-N 3.48Å; I74-N78 WeakPolarHBondContact O-CB 3.45Å; I74-N78 PolarHBondContact O-N 2.98Å; I74-N78 PolarHBondContact O-ND2 3.3Å |
| 75 | L | 70.8 | Confident | 69.5 | Low | 103 Ų | 103 | 103.4 Ų | 103.4 | 54% | 0.539 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.8 | -39.5 | 176.7 | -73.7 | 171.7 | 0 | 0 | 0 | 112.1 | R71 A72 E73 R79 | R71-L75 HydrophobicContact CG-CD1 4.05Å; R71-L75 HydrophobicContact CG-CG 4.45Å; R71-L75 WeakPolarHBondContact O-CB 3.42Å; R71-L75 WeakPolarHBondContact O-CG 3.38Å; R71-L75 PolarHBondContact O-N 2.81Å; A72-L75 PolarHBondContact O-N 3.28Å; E73-L75 PolarHBondContact O-N 2.71Å; L75-R79 WeakPolarHBondContact O-CB 3.33Å; L75-R79 PolarHBondContact O-N 3.49Å |
| 76 | G | 72.9 | Confident | 69.9 | Low | 39 Ų | 39 | 102.8 Ų | 102.8 | 40% | 0.402 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.3 | -45.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A72 E73 R79 F80 | A72-G76 PolarHBondContact O-N 3.07Å; E73-G76 PolarHBondContact O-N 3.46Å; G76-R79 PolarHBondContact O-N 2.93Å; G76-F80 WeakPolarHBondContact O-CB 3.48Å; G76-F80 PolarHBondContact O-N 3.28Å |
| 77 | Y | 69 | Low | 70.4 | Confident | 158 Ų | 158 | 102.3 Ų | 102.3 | 62% | 0.62 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.1 | -43.3 | 176.9 | -160.9 | -97.9 | 0 | 0 | 0 | 111.7 | E73 I74 R79 F80 N81 | E73-Y77 WeakPolarHBondContact O-CB 3.47Å; E73-Y77 PolarHBondContact O-N 2.92Å; I74-Y77 PolarHBondContact O-N 3.48Å; Y77-R79 VanDerWaalsContact C-N 3.34Å; Y77-R79 PolarHBondContact O-N 3.36Å; Y77-F80 PolarHBondContact O-N 2.84Å; Y77-N81 VanDerWaalsContact CD1-ND2 3.31Å; Y77-N81 WeakPolarHBondContact CD1-ND2 3.33Å; Y77-N81 WeakPolarHBondContact CE1-ND2 3.47Å; Y77-N81 WeakPolarHBondContact O-CB 3.49Å; Y77-N81 VanDerWaalsContact O-CG 3.29Å; Y77-N81 PolarHBondContact O-N 2.9Å |
| 78 | N | 73.6 | Confident | 70.4 | Confident | 92 Ų | 92 | 106.1 Ų | 106.1 | 49% | 0.492 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64 | -38.7 | 174.9 | -72.8 | -16.1 | 0 | 0 | 0 | 112.1 | I74 H82 | I74-N78 WeakPolarHBondContact O-CB 3.45Å; I74-N78 PolarHBondContact O-N 2.98Å; I74-N78 PolarHBondContact O-ND2 3.3Å; N78-H82 WeakPolarHBondContact O-CB 3.31Å; N78-H82 PolarHBondContact O-N 2.91Å |
| 79 | R | 71.4 | Confident | 70.1 | Confident | 198 Ų | 198 | 111 Ų | 111 | 75% | 0.747 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -67.2 | -39.3 | 175.9 | -163.9 | 178 | -162.4 | 171.4 | 5.1 | 111.9 | L75 G76 Y77 S83 | L75-R79 WeakPolarHBondContact O-CB 3.33Å; L75-R79 PolarHBondContact O-N 3.49Å; G76-R79 PolarHBondContact O-N 2.93Å; Y77-R79 VanDerWaalsContact C-N 3.34Å; Y77-R79 PolarHBondContact O-N 3.36Å; R79-S83 WeakPolarHBondContact O-CB 3.34Å; R79-S83 PolarHBondContact O-N 3.08Å; R79-S83 PolarHBondContact O-OG 2.93Å |
| 80 | F | 71.2 | Confident | 70.3 | Confident | 146 Ų | 146 | 112.3 Ų | 112.3 | 64% | 0.64 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -64.2 | -46.9 | 175.4 | -173.7 | -95 | 0 | 0 | 0 | 111.2 | G76 Y77 H82 S83 C84 | G76-F80 WeakPolarHBondContact O-CB 3.48Å; G76-F80 PolarHBondContact O-N 3.28Å; Y77-F80 PolarHBondContact O-N 2.84Å; F80-H82 PolarHBondContact O-N 3.3Å; F80-S83 PolarHBondContact O-N 2.93Å; F80-C84 WeakPolarHBondContact O-CB 3.44Å; F80-C84 PolarHBondContact O-N 3.23Å |
| 81 | N | 71.6 | Confident | 70.4 | Confident | 59 Ų | 59 | 115.2 Ų | 115.2 | 32% | 0.316 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -62.1 | -43.5 | 177.2 | -70.8 | -12.2 | 0 | 0 | 0 | 112.1 | Y77 S83 C84 L85 | Y77-N81 VanDerWaalsContact CD1-ND2 3.31Å; Y77-N81 WeakPolarHBondContact CD1-ND2 3.33Å; Y77-N81 WeakPolarHBondContact CE1-ND2 3.47Å; Y77-N81 WeakPolarHBondContact O-CB 3.49Å; Y77-N81 VanDerWaalsContact O-CG 3.29Å; Y77-N81 PolarHBondContact O-N 2.9Å; N81-S83 VanDerWaalsContact C-N 3.34Å; N81-S83 PolarHBondContact O-N 3.16Å; N81-C84 PolarHBondContact O-N 2.98Å; N81-L85 WeakPolarHBondContact O-CB 3.45Å; N81-L85 PolarHBondContact O-N 3.47Å |
| 82 | H | 72.8 | Confident | 70.4 | Confident | 119 Ų | 119 | 112.4 Ų | 112.4 | 55% | 0.551 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -61.8 | -42.1 | 175.7 | -170.7 | -76 | 0 | 0 | 0 | 111.8 | N78 F80 Q86 | N78-H82 WeakPolarHBondContact O-CB 3.31Å; N78-H82 PolarHBondContact O-N 2.91Å; F80-H82 PolarHBondContact O-N 3.3Å; H82-Q86 WeakPolarHBondContact O-CB 3.18Å; H82-Q86 PolarHBondContact O-N 3.36Å; H82-Q86 VanDerWaalsContact O-N 3.08Å |
| 83 | S | 72.9 | Confident | 70.6 | Confident | 66 Ų | 66 | 115.5 Ų | 115.5 | 46% | 0.462 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.5 | -38.6 | 178.6 | -52.1 | 0 | 0 | 0 | 0 | 111.9 | R79 F80 N81 Q86 S87 | R79-S83 WeakPolarHBondContact O-CB 3.34Å; R79-S83 PolarHBondContact O-N 3.08Å; R79-S83 PolarHBondContact O-OG 2.93Å; F80-S83 PolarHBondContact O-N 2.93Å; N81-S83 VanDerWaalsContact C-N 3.34Å; N81-S83 PolarHBondContact O-N 3.16Å; S83-Q86 PolarHBondContact O-N 3.35Å; S83-S87 PolarHBondContact O-N 3.44Å; S83-S87 VanDerWaalsContact O-N 3.16Å; S83-S87 PolarHBondContact O-OG 3.48Å |
| 84 | C | 70 | Confident | 70.7 | Confident | 57 Ų | 57 | 115.6 Ų | 115.6 | 39% | 0.385 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -68.6 | -41.2 | 178.1 | -166.5 | 0 | 0 | 0 | 0 | 112.2 | F80 N81 Q86 S87 H88 | F80-C84 WeakPolarHBondContact O-CB 3.44Å; F80-C84 PolarHBondContact O-N 3.23Å; N81-C84 PolarHBondContact O-N 2.98Å; C84-Q86 VanDerWaalsContact C-N 3.28Å; C84-Q86 PolarHBondContact O-N 3.44Å; C84-S87 WeakPolarHBondContact CA-OG 3.5Å; C84-S87 PolarHBondContact O-N 3.27Å; C84-S87 PolarHBondContact O-OG 3.44Å; C84-H88 PolarHBondContact O-N 3.42Å |
| 85 | L | 70.3 | Confident | 70.6 | Confident | 120 Ų | 120 | 116.4 Ų | 116.4 | 63% | 0.628 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -61.2 | -37 | 172.7 | -95.5 | 147.3 | 0 | 0 | 0 | 112.1 | N81 H88 | N81-L85 WeakPolarHBondContact O-CB 3.45Å; N81-L85 PolarHBondContact O-N 3.47Å; L85-H88 PolarHBondContact O-N 2.82Å |
| 86 | Q | 71.4 | Confident | 70.6 | Confident | 132 Ų | 132 | 117.4 Ų | 117.4 | 62% | 0.617 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -74.1 | -24.5 | 178.9 | -133.5 | 170.5 | -7.4 | 0 | 0 | 113.5 | H82 S83 C84 H88 | H82-Q86 WeakPolarHBondContact O-CB 3.18Å; H82-Q86 PolarHBondContact O-N 3.36Å; H82-Q86 VanDerWaalsContact O-N 3.08Å; S83-Q86 PolarHBondContact O-N 3.35Å; C84-Q86 VanDerWaalsContact C-N 3.28Å; C84-Q86 PolarHBondContact O-N 3.44Å; Q86-H88 VanDerWaalsContact C-N 3.34Å |
| 87 | S | 74.7 | Confident | 70.4 | Confident | 87 Ų | 87 | 123.4 Ų | 123.4 | 61% | 0.608 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -81.8 | -10.1 | 174.8 | 54.6 | 0 | 0 | 0 | 0 | 114.5 | S83 C84 | S83-S87 PolarHBondContact O-N 3.44Å; S83-S87 VanDerWaalsContact O-N 3.16Å; S83-S87 PolarHBondContact O-OG 3.48Å; C84-S87 WeakPolarHBondContact CA-OG 3.5Å; C84-S87 PolarHBondContact O-N 3.27Å; C84-S87 PolarHBondContact O-OG 3.44Å |
| 88 | H | 65.9 | Low | 70.5 | Confident | 164 Ų | 164 | 120.5 Ų | 120.5 | 76% | 0.759 | 61% | 0.607 | S | S | * | * | trans | -106.4 | 1.4 | -179.6 | -90.6 | -59.5 | 0 | 0 | 0 | 114.3 | C84 L85 Q86 | C84-H88 PolarHBondContact O-N 3.42Å; L85-H88 PolarHBondContact O-N 2.82Å; Q86-H88 VanDerWaalsContact C-N 3.34Å | ||
| 89 | L | 60.3 | Low | 70.2 | Confident | 206 Ų | 206 | 123.1 Ų | 123.1 | 100% | 1.079 | 62% | 0.617 | S | S | * | * | trans | -104.8 | 0 | 169.2 | -80.7 | 163 | 0 | 0 | 0 | 109.6 |
Retrieved 89 of 89 residues in 16 ms
(Link to these results)