| 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 | 43.3 | Very low | 62.6 | Low | 220 Ų | 220 | 108.1 Ų | 108.1 | 100% | 1.084 | 58% | 0.581 | S | S | * | * | 0 | -16.9 | 0 | -141.6 | 163.5 | 88.7 | 0 | 0 | 113.3 | S4 | M1-S4 PolarHBondContact O-OG 2.92Š| |||
| 2 | E | 47.5 | Very low | 64 | Low | 179 Ų | 179 | 102.5 Ų | 102.5 | 84% | 0.836 | 56% | 0.561 | S | S | * | * | trans | -84.4 | -21.5 | -179.2 | -64.6 | -169.4 | 135.3 | 0 | 0 | 115.7 | S4 | E2-S4 VanDerWaalsContact C-N 3.29Å; E2-S4 PolarHBondContact O-N 3.4Å | ||
| 3 | L | 51.2 | Low | 65.6 | Low | 101 Ų | 101 | 100 Ų | 100 | 53% | 0.529 | 54% | 0.541 | S | S | . | . | G | 310 helix | trans | -74.1 | -17.1 | -179.6 | -125 | 96.1 | 0 | 0 | 0 | 113.7 | L5 K11 | L3-L5 VanDerWaalsContact C-N 3.31Å; L3-L5 PolarHBondContact O-N 2.84Å; L3-K11 WeakPolarHBondContact O-CE 3.39Å |
| 4 | S | 50.5 | Low | 67.1 | Low | 80 Ų | 80 | 97.2 Ų | 97.2 | 56% | 0.559 | 53% | 0.529 | S | S | * | . | G | 310 helix | trans | -69.7 | -29.1 | -177.9 | 54.7 | 0 | 0 | 0 | 0 | 112.4 | M1 E2 K11 | M1-S4 PolarHBondContact O-OG 2.92Å; E2-S4 VanDerWaalsContact C-N 3.29Å; E2-S4 PolarHBondContact O-N 3.4Å; S4-K11 PolarHBondContact O-NZ 2.84Å |
| 5 | L | 51.6 | Low | 68.3 | Low | 161 Ų | 161 | 95.9 Ų | 95.9 | 84% | 0.843 | 53% | 0.529 | S | S | * | . | G | 310 helix | trans | -88.5 | -6.5 | -179.2 | -77.7 | 158.9 | 0 | 0 | 0 | 114.5 | L3 | L3-L5 VanDerWaalsContact C-N 3.31Å; L3-L5 PolarHBondContact O-N 2.84Å |
| 6 | A | 62.9 | Low | 69.4 | Low | 25 Ų | 25 | 91.4 Ų | 91.4 | 21% | 0.207 | 51% | 0.511 | C | S | . | . | S | Bend | trans | -74.1 | 143.7 | -178 | 0 | 0 | 0 | 0 | 0 | 112.8 | I10 K11 | A6-I10 HydrophobicContact CB-CB 4.16Å; A6-I10 HydrophobicContact CB-CG2 4.08Å; A6-K11 HydrophobicContact CB-CG 4.35Å; A6-K11 WeakPolarHBondContact O-CE 3.18Å; A6-K11 PolarHBondContact O-NZ 3.24Å |
| 7 | H | 73.4 | Confident | 70.5 | Confident | 110 Ų | 110 | 86.6 Ų | 86.6 | 51% | 0.509 | 49% | 0.485 | S | S | . | . | trans | -51.3 | 141.2 | 174.3 | -166.8 | -88.5 | 0 | 0 | 0 | 110.7 | A9 I10 K11 | H7-A9 PolarHBondContact ND1-N 3.47Å; H7-A9 PolarHBondContact O-N 3.04Å; H7-I10 HydrophobicContact CB-CD1 4.21Å; H7-I10 HydrophobicContact CB-CG1 4.38Å; H7-I10 WeakPolarHBondContact O-CB 3.33Å; H7-I10 PolarHBondContact O-N 3.34Å; H7-K11 PolarHBondContact O-N 2.83Å | ||
| 8 | P | 74.7 | Confident | 71.6 | Confident | 90 Ų | 90 | 90.1 Ų | 90.1 | 58% | 0.584 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -52.8 | -31 | -176 | 17.3 | -32.2 | 0 | 0 | 0 | 114.1 | K11 A12 | P8-K11 PolarHBondContact O-N 3.09Å; P8-A12 WeakPolarHBondContact O-CB 3.48Å; P8-A12 PolarHBondContact O-N 3.05Å |
| 9 | A | 72.6 | Confident | 72.5 | Confident | 51 Ų | 51 | 88.8 Ų | 88.8 | 42% | 0.421 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.8 | -39 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | H7 A12 F13 | H7-A9 PolarHBondContact ND1-N 3.47Å; H7-A9 PolarHBondContact O-N 3.04Å; A9-A12 PolarHBondContact O-N 3.07Å; A9-F13 WeakPolarHBondContact O-CB 3.3Å; A9-F13 PolarHBondContact O-N 2.97Å |
| 10 | I | 79.8 | Confident | 73.2 | Confident | 93 Ų | 93 | 85.3 Ų | 85.3 | 48% | 0.477 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -70.1 | -41.8 | 179.1 | -62.1 | 172.7 | 0 | 0 | 0 | 109.9 | A6 H7 A12 F13 V14 | A6-I10 HydrophobicContact CB-CB 4.16Å; A6-I10 HydrophobicContact CB-CG2 4.08Å; H7-I10 HydrophobicContact CB-CD1 4.21Å; H7-I10 HydrophobicContact CB-CG1 4.38Å; H7-I10 WeakPolarHBondContact O-CB 3.33Å; H7-I10 PolarHBondContact O-N 3.34Å; I10-A12 PolarHBondContact O-N 3.44Å; I10-F13 PolarHBondContact O-N 2.85Å; I10-V14 HydrophobicContact CG2-CG2 4.37Å; I10-V14 WeakPolarHBondContact O-CG2 3.01Å; I10-V14 PolarHBondContact O-N 2.94Å |
| 11 | K | 80.9 | Confident | 74.1 | Confident | 79 Ų | 79 | 82.6 Ų | 82.6 | 34% | 0.343 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -58.4 | -49.3 | 173.9 | -67.7 | 174.8 | 176.5 | 165.5 | 0 | 110.9 | L3 S4 A6 H7 P8 F13 V14 C15 | L3-K11 WeakPolarHBondContact O-CE 3.39Å; S4-K11 PolarHBondContact O-NZ 2.84Å; A6-K11 HydrophobicContact CB-CG 4.35Å; A6-K11 WeakPolarHBondContact O-CE 3.18Å; A6-K11 PolarHBondContact O-NZ 3.24Å; H7-K11 PolarHBondContact O-N 2.83Å; P8-K11 PolarHBondContact O-N 3.09Å; K11-F13 VanDerWaalsContact C-N 3.32Å; K11-F13 PolarHBondContact O-N 3.4Å; K11-V14 PolarHBondContact O-N 3.28Å; K11-C15 WeakPolarHBondContact O-CB 3.31Å; K11-C15 PolarHBondContact O-N 3.49Å; K11-C15 PolarHBondContact O-SG 3.4Å |
| 12 | A | 79.5 | Confident | 76.4 | Confident | 41 Ų | 41 | 74.2 Ų | 74.2 | 34% | 0.339 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.2 | -39.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | P8 A9 I10 G16 | P8-A12 WeakPolarHBondContact O-CB 3.48Å; P8-A12 PolarHBondContact O-N 3.05Å; A9-A12 PolarHBondContact O-N 3.07Å; I10-A12 PolarHBondContact O-N 3.44Å; A12-G16 WeakPolarHBondContact O-CA 3.3Å; A12-G16 PolarHBondContact O-N 3.5Å |
| 13 | F | 85.3 | Confident | 78.4 | Confident | 70 Ų | 70 | 66.3 Ų | 66.3 | 31% | 0.307 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.5 | -48.9 | 176.4 | 172.6 | -102 | 0 | 0 | 0 | 112.7 | A9 I10 K11 G16 S17 I81 V84 G85 | A9-F13 WeakPolarHBondContact O-CB 3.3Å; A9-F13 PolarHBondContact O-N 2.97Å; I10-F13 PolarHBondContact O-N 2.85Å; K11-F13 VanDerWaalsContact C-N 3.32Å; K11-F13 PolarHBondContact O-N 3.4Å; F13-G16 PolarHBondContact O-N 2.85Å; F13-S17 WeakPolarHBondContact CE2-OG 3.44Å; F13-S17 WeakPolarHBondContact O-CB 3.36Å; F13-S17 PolarHBondContact O-N 3.23Å; F13-S17 PolarHBondContact O-OG 3.49Å; F13-I81 WeakPolarHBondContact CE2-O 3.37Å; F13-I81 HydrophobicContact CZ-CG2 4.23Å; F13-V84 HydrophobicContact CD2-CG1 4.14Å; F13-G85 VanDerWaalsContact CD2-CA 3.46Å; F13-G85 VanDerWaalsContact CE2-CA 3.47Å |
| 14 | V | 87 | Confident | 80.3 | Confident | 61 Ų | 61 | 61.8 Ų | 61.8 | 37% | 0.37 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65.5 | -50 | -179 | 172.4 | 0 | 0 | 0 | 0 | 110.4 | I10 K11 G16 S17 F18 | I10-V14 HydrophobicContact CG2-CG2 4.37Å; I10-V14 WeakPolarHBondContact O-CG2 3.01Å; I10-V14 PolarHBondContact O-N 2.94Å; K11-V14 PolarHBondContact O-N 3.28Å; V14-G16 VanDerWaalsContact C-N 3.34Å; V14-G16 PolarHBondContact O-N 3.4Å; V14-S17 PolarHBondContact O-N 3.37Å; V14-F18 WeakPolarHBondContact O-CB 3.46Å; V14-F18 PolarHBondContact O-N 3.19Å |
| 15 | C | 85.1 | Confident | 82.4 | Confident | 78 Ų | 78 | 61.9 Ų | 61.9 | 53% | 0.527 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.5 | -43.2 | 177.7 | -66.6 | 0 | 0 | 0 | 0 | 111.5 | K11 S19 | K11-C15 WeakPolarHBondContact O-CB 3.31Å; K11-C15 PolarHBondContact O-N 3.49Å; K11-C15 PolarHBondContact O-SG 3.4Å; C15-S19 WeakPolarHBondContact O-CB 3.44Å; C15-S19 PolarHBondContact O-N 3.5Å |
| 16 | G | 85.3 | Confident | 84.4 | Confident | 24 Ų | 24 | 59.1 Ų | 59.1 | 25% | 0.247 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.2 | -40.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | A12 F13 V14 G20 | A12-G16 WeakPolarHBondContact O-CA 3.3Å; A12-G16 PolarHBondContact O-N 3.5Å; F13-G16 PolarHBondContact O-N 2.85Å; V14-G16 VanDerWaalsContact C-N 3.34Å; V14-G16 PolarHBondContact O-N 3.4Å; G16-G20 WeakPolarHBondContact O-CA 3.38Å; G16-G20 PolarHBondContact O-N 3.14Å |
| 17 | S | 88.6 | Confident | 85.9 | Confident | 10 Ų | 10 | 58.1 Ų | 58.1 | 7% | 0.07 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -68.6 | -44.5 | 177.6 | -62.9 | 0 | 0 | 0 | 0 | 111.6 | F13 V14 T21 | F13-S17 WeakPolarHBondContact CE2-OG 3.44Å; F13-S17 WeakPolarHBondContact O-CB 3.36Å; F13-S17 PolarHBondContact O-N 3.23Å; F13-S17 PolarHBondContact O-OG 3.49Å; V14-S17 PolarHBondContact O-N 3.37Å; S17-T21 VanDerWaalsContact O-CB 3.28Å; S17-T21 WeakPolarHBondContact O-CB 3.23Å; S17-T21 PolarHBondContact O-N 3.31Å; S17-T21 PolarHBondContact O-OG1 3.17Å |
| 18 | F | 90.1 | Very high | 86.9 | Confident | 148 Ų | 148 | 52.9 Ų | 52.9 | 65% | 0.649 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -64.5 | -52.5 | 177.6 | -175 | -101.8 | 0 | 0 | 0 | 111.3 | V14 G20 T21 C22 | V14-F18 WeakPolarHBondContact O-CB 3.46Å; V14-F18 PolarHBondContact O-N 3.19Å; F18-G20 VanDerWaalsContact C-N 3.31Å; F18-G20 PolarHBondContact O-N 3.44Å; F18-T21 PolarHBondContact O-N 3.23Å; F18-T21 VanDerWaalsContact O-N 3.15Å; F18-C22 PolarHBondContact O-N 3.05Å; F18-C22 PolarHBondContact O-SG 2.91Å |
| 19 | S | 88.7 | Confident | 87.8 | Confident | 66 Ų | 66 | 49.7 Ų | 49.7 | 46% | 0.462 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -57.9 | -43.4 | 176.5 | 178.7 | 0 | 0 | 0 | 0 | 112 | C15 T21 S23 | C15-S19 WeakPolarHBondContact O-CB 3.44Å; C15-S19 PolarHBondContact O-N 3.5Å; S19-T21 PolarHBondContact O-N 2.89Å; S19-S23 VanDerWaalsContact O-CB 3.3Å; S19-S23 WeakPolarHBondContact O-CB 3.03Å; S19-S23 PolarHBondContact O-N 3.39Å; S19-S23 PolarHBondContact O-OG 3.23Å |
| 20 | G | 87.3 | Confident | 88.8 | Confident | 18 Ų | 18 | 48.7 Ų | 48.7 | 19% | 0.186 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.4 | -38.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | G16 F18 T24 | G16-G20 WeakPolarHBondContact O-CA 3.38Å; G16-G20 PolarHBondContact O-N 3.14Å; F18-G20 VanDerWaalsContact C-N 3.31Å; F18-G20 PolarHBondContact O-N 3.44Å; G20-T24 VanDerWaalsContact O-CB 3.22Å; G20-T24 WeakPolarHBondContact O-CB 3.37Å; G20-T24 PolarHBondContact O-N 3.3Å; G20-T24 PolarHBondContact O-OG1 3.5Å |
| 21 | T | 91.6 | Very high | 89.5 | Confident | 30 Ų | 30 | 44.8 Ų | 44.8 | 18% | 0.184 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -69.8 | -47.4 | 178.1 | -58.6 | 0 | 0 | 0 | 0 | 111 | S17 F18 S19 S23 T24 L25 F77 | S17-T21 VanDerWaalsContact O-CB 3.28Å; S17-T21 WeakPolarHBondContact O-CB 3.23Å; S17-T21 PolarHBondContact O-N 3.31Å; S17-T21 PolarHBondContact O-OG1 3.17Å; F18-T21 PolarHBondContact O-N 3.23Å; F18-T21 VanDerWaalsContact O-N 3.15Å; S19-T21 PolarHBondContact O-N 2.89Å; T21-S23 PolarHBondContact O-N 3.4Å; T21-T24 WeakPolarHBondContact O-CB 3.41Å; T21-T24 PolarHBondContact O-N 3.25Å; T21-L25 PolarHBondContact O-N 2.95Å; T21-F77 HydrophobicContact CG2-CD1 3.67Å; T21-F77 HydrophobicContact CG2-CD2 4.4Å; T21-F77 HydrophobicContact CG2-CE1 3.34Å; T21-F77 HydrophobicContact CG2-CE2 4.13Å; T21-F77 HydrophobicContact CG2-CG 4.19Å; T21-F77 HydrophobicContact CG2-CZ 3.58Å |
| 22 | C | 91.6 | Very high | 90.1 | Very high | 44 Ų | 44 | 41 Ų | 41 | 30% | 0.297 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.2 | -46.2 | 175.4 | -67.7 | 0 | 0 | 0 | 0 | 111.9 | F18 T24 L25 L26 | F18-C22 PolarHBondContact O-N 3.05Å; F18-C22 PolarHBondContact O-SG 2.91Å; C22-T24 VanDerWaalsContact C-N 3.29Å; C22-T24 PolarHBondContact O-N 3.36Å; C22-L25 PolarHBondContact O-N 3.4Å; C22-L26 WeakPolarHBondContact O-CB 3.34Å; C22-L26 PolarHBondContact O-N 3.49Å |
| 23 | S | 89.9 | Confident | 90.8 | Very high | 12 Ų | 12 | 39.2 Ų | 39.2 | 8% | 0.084 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.5 | -40.3 | 176.8 | -58.3 | 0 | 0 | 0 | 0 | 111.5 | S19 T21 L26 F27 | S19-S23 VanDerWaalsContact O-CB 3.3Å; S19-S23 WeakPolarHBondContact O-CB 3.03Å; S19-S23 PolarHBondContact O-N 3.39Å; S19-S23 PolarHBondContact O-OG 3.23Å; T21-S23 PolarHBondContact O-N 3.4Å; S23-L26 PolarHBondContact O-N 3.09Å; S23-F27 WeakPolarHBondContact O-CB 3.27Å; S23-F27 WeakPolarHBondContact O-CD2 3.28Å; S23-F27 WeakPolarHBondContact O-CG 3.48Å; S23-F27 PolarHBondContact O-N 2.91Å |
| 24 | T | 91.1 | Very high | 91.2 | Very high | 6 Ų | 6 | 37 Ų | 37 | 4% | 0.037 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.4 | -45.8 | 177.2 | -65.4 | 0 | 0 | 0 | 0 | 111.2 | G20 T21 C22 L26 F27 Q28 F77 | G20-T24 VanDerWaalsContact O-CB 3.22Å; G20-T24 WeakPolarHBondContact O-CB 3.37Å; G20-T24 PolarHBondContact O-N 3.3Å; G20-T24 PolarHBondContact O-OG1 3.5Å; T21-T24 WeakPolarHBondContact O-CB 3.41Å; T21-T24 PolarHBondContact O-N 3.25Å; C22-T24 VanDerWaalsContact C-N 3.29Å; C22-T24 PolarHBondContact O-N 3.36Å; T24-L26 VanDerWaalsContact C-N 3.33Å; T24-L26 PolarHBondContact O-N 3.27Å; T24-F27 PolarHBondContact O-N 3.46Å; T24-Q28 WeakPolarHBondContact O-CA 3.36Å; T24-Q28 VanDerWaalsContact O-CB 3.3Å; T24-Q28 WeakPolarHBondContact O-CB 3.37Å; T24-Q28 PolarHBondContact O-N 3.38Å; T24-F77 HydrophobicContact CG2-CD1 4.21Å; T24-F77 HydrophobicContact CG2-CE1 4.15Å |
| 25 | L | 93.9 | Very high | 91.5 | Very high | 83 Ų | 83 | 34.3 Ų | 34.3 | 44% | 0.435 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -58.1 | -45.7 | 176.4 | 175.7 | 72 | 0 | 0 | 0 | 111.4 | T21 C22 W70 I73 F77 | T21-L25 PolarHBondContact O-N 2.95Å; C22-L25 PolarHBondContact O-N 3.4Å; L25-W70 PolarHBondContact O-NE1 2.99Å; L25-I73 HydrophobicContact CB-CD1 4.38Å; L25-I73 HydrophobicContact CD1-CD1 3.26Å; L25-I73 HydrophobicContact CG-CD1 4.4Å; L25-F77 HydrophobicContact CB-CZ 4.42Å |
| 26 | L | 93.6 | Very high | 91.8 | Very high | 102 Ų | 102 | 32.2 Ų | 32.2 | 53% | 0.534 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -68.2 | -39.7 | -177.4 | -173.1 | 65 | 0 | 0 | 0 | 112.3 | C22 S23 T24 M269 | C22-L26 WeakPolarHBondContact O-CB 3.34Å; C22-L26 PolarHBondContact O-N 3.49Å; S23-L26 PolarHBondContact O-N 3.09Å; T24-L26 VanDerWaalsContact C-N 3.33Å; T24-L26 PolarHBondContact O-N 3.27Å; L26-M269 HydrophobicContact CD2-SD 4.09Å |
| 27 | F | 93.9 | Very high | 92 | Very high | 5 Ų | 5 | 31.6 Ų | 31.6 | 2% | 0.022 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -104.3 | 6.5 | -172.9 | -54.1 | -53.8 | 0 | 0 | 0 | 114.5 | S23 T24 P29 L30 D31 R262 M265 M266 M269 | S23-F27 WeakPolarHBondContact O-CB 3.27Å; S23-F27 WeakPolarHBondContact O-CD2 3.28Å; S23-F27 WeakPolarHBondContact O-CG 3.48Å; S23-F27 PolarHBondContact O-N 2.91Å; T24-F27 PolarHBondContact O-N 3.46Å; F27-P29 VanDerWaalsContact C-CD 3.42Å; F27-P29 VanDerWaalsContact C-N 3.32Å; F27-L30 HydrophobicContact CD1-CD1 4.44Å; F27-L30 PolarHBondContact O-N 3.17Å; F27-L30 VanDerWaalsContact O-N 3.11Å; F27-D31 PolarHBondContact O-N 2.83Å; F27-R262 HydrophobicContact CB-CG 4.12Å; F27-M265 HydrophobicContact CD1-CB 4.18Å; F27-M265 HydrophobicContact CD1-CE 4.26Å; F27-M265 HydrophobicContact CD1-SD 4.28Å; F27-M265 HydrophobicContact CE1-CB 3.47Å; F27-M265 VanDerWaalsContact CE1-CB 3.47Å; F27-M265 HydrophobicContact CE1-CE 3.71Å; F27-M265 HydrophobicContact CE1-CG 4.36Å; F27-M265 HydrophobicContact CE1-SD 4.07Å; F27-M265 HydrophobicContact CZ-CB 3.79Å; F27-M266 HydrophobicContact CD2-CG 3.57Å; F27-M266 HydrophobicContact CE2-CB 4.33Å; F27-M266 HydrophobicContact CE2-CG 3.51Å; F27-M266 HydrophobicContact CZ-CG 4.47Å; F27-M269 HydrophobicContact CE2-SD 3.95Å; F27-M269 HydrophobicContact CZ-CB 4.4Å; F27-M269 HydrophobicContact CZ-SD 4.22Å |
| 28 | Q | 94.4 | Very high | 92 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -54.2 | -40.1 | 175.8 | -173.9 | 65.3 | 31.7 | 0 | 0 | 113 | T24 L30 D31 L32 K71 S76 E135 | T24-Q28 WeakPolarHBondContact O-CA 3.36Å; T24-Q28 VanDerWaalsContact O-CB 3.3Å; T24-Q28 WeakPolarHBondContact O-CB 3.37Å; T24-Q28 PolarHBondContact O-N 3.38Å; Q28-L30 VanDerWaalsContact C-N 3.25Å; Q28-L30 PolarHBondContact O-N 3.33Å; Q28-D31 WeakPolarHBondContact O-CB 3.21Å; Q28-D31 PolarHBondContact O-N 3.29Å; Q28-D31 VanDerWaalsContact O-N 3.12Å; Q28-L32 PolarHBondContact O-N 2.8Å; Q28-K71 PolarHBondContact NE2-O 3.03Å; Q28-S76 PolarHBondContact OE1-OG 3.43Å; Q28-E135 PolarHBondContact NE2-OE1 3.5Å |
| 29 | P | 94.6 | Very high | 91.9 | Very high | 23 Ų | 23 | 24.4 Ų | 24.4 | 15% | 0.149 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -57.1 | -37.1 | 176.7 | -28.6 | 37.4 | 0 | 0 | 0 | 113.6 | F27 L32 V33 L69 W70 | F27-P29 VanDerWaalsContact C-CD 3.42Å; F27-P29 VanDerWaalsContact C-N 3.32Å; P29-L32 PolarHBondContact O-N 3.47Å; P29-V33 WeakPolarHBondContact O-CB 3.37Å; P29-V33 VanDerWaalsContact O-CG2 3.27Å; P29-V33 WeakPolarHBondContact O-CG2 3.49Å; P29-V33 PolarHBondContact O-N 3.5Å; P29-L69 WeakPolarHBondContact CA-O 3.34Å; P29-L69 HydrophobicContact CB-CB 4Å; P29-L69 HydrophobicContact CB-CD1 4.49Å; P29-L69 HydrophobicContact CG-CB 4.03Å; P29-W70 HydrophobicContact CG-CD2 4.36Å; P29-W70 HydrophobicContact CG-CH2 4.19Å; P29-W70 HydrophobicContact CG-CZ2 3.93Å; P29-W70 HydrophobicContact CG-CZ3 4.5Å |
| 30 | L | 94 | Very high | 91.2 | Very high | 29 Ų | 29 | 23 Ų | 23 | 15% | 0.152 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -71.5 | -37.4 | 178 | -64.8 | 177.8 | 0 | 0 | 0 | 112.1 | F27 Q28 K34 L261 R262 M265 | F27-L30 HydrophobicContact CD1-CD1 4.44Å; F27-L30 PolarHBondContact O-N 3.17Å; F27-L30 VanDerWaalsContact O-N 3.11Å; Q28-L30 VanDerWaalsContact C-N 3.25Å; Q28-L30 PolarHBondContact O-N 3.33Å; L30-K34 WeakPolarHBondContact O-CB 3.29Å; L30-K34 PolarHBondContact O-N 2.9Å; L30-L261 HydrophobicContact CD1-CD2 4.35Å; L30-L261 HydrophobicContact CD1-CG 4.12Å; L30-L261 HydrophobicContact CD2-CD2 3.83Å; L30-L261 HydrophobicContact CD2-CG 4.46Å; L30-R262 HydrophobicContact CB-CB 4.25Å; L30-R262 HydrophobicContact CD1-CB 3.88Å; L30-M265 HydrophobicContact CD1-SD 3.74Å |
| 31 | D | 93.1 | Very high | 89.9 | Confident | 12 Ų | 12 | 22.2 Ų | 22.2 | 6% | 0.064 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.8 | -45.9 | 173.4 | -85.1 | -2.3 | 0 | 0 | 0 | 110.7 | F27 Q28 K34 T35 K131 R262 | F27-D31 PolarHBondContact O-N 2.83Å; Q28-D31 WeakPolarHBondContact O-CB 3.21Å; Q28-D31 PolarHBondContact O-N 3.29Å; Q28-D31 VanDerWaalsContact O-N 3.12Å; D31-K34 PolarHBondContact O-N 3.43Å; D31-T35 WeakPolarHBondContact O-CB 3.47Å; D31-T35 PolarHBondContact O-N 3.02Å; D31-T35 PolarHBondContact O-OG1 3.45Å; D31-T35 VanDerWaalsContact O-OG1 3.06Å; D31-K131 IonicContact OD2-NZ 3.32Å; D31-K131 PolarHBondContact OD2-NZ 3.14Å; D31-R262 WeakPolarHBondContact OD1-CD 3.29Å; D31-R262 IonicContact OD1-CZ 3.01Å; D31-R262 IonicContact OD1-NE 3.7Å; D31-R262 PolarHBondContact OD1-NE 3.35Å; D31-R262 IonicContact OD2-NE 2.67Å; D31-R262 IonicContact OD2-NH2 3.28Å |
| 32 | L | 94.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62 | -51.1 | 178 | -175.7 | 147 | 0 | 0 | 0 | 111.7 | Q28 P29 K34 T35 R36 V60 G68 K71 | Q28-L32 PolarHBondContact O-N 2.8Å; P29-L32 PolarHBondContact O-N 3.47Å; L32-K34 VanDerWaalsContact C-N 3.3Å; L32-K34 PolarHBondContact O-N 3.3Å; L32-T35 PolarHBondContact O-N 2.91Å; L32-R36 HydrophobicContact CD2-CG 3.91Å; L32-R36 HydrophobicContact CG-CG 4.34Å; L32-R36 WeakPolarHBondContact O-CB 3.21Å; L32-R36 VanDerWaalsContact O-CG 3.24Å; L32-R36 WeakPolarHBondContact O-CG 3.31Å; L32-R36 PolarHBondContact O-N 3.24Å; L32-V60 HydrophobicContact CD2-CG1 4.18Å; L32-V60 HydrophobicContact CD2-CG2 3.82Å; L32-G68 WeakPolarHBondContact CD1-O 3.41Å; L32-K71 HydrophobicContact CD1-CB 3.73Å |
| 33 | V | 93.6 | Very high | 86.2 | Confident | 3 Ų | 3 | 22.7 Ų | 22.7 | 2% | 0.018 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.7 | -42 | -179.4 | 170 | 0 | 0 | 0 | 0 | 110.9 | P29 L37 M53 V56 L57 | P29-V33 WeakPolarHBondContact O-CB 3.37Å; P29-V33 VanDerWaalsContact O-CG2 3.27Å; P29-V33 WeakPolarHBondContact O-CG2 3.49Å; P29-V33 PolarHBondContact O-N 3.5Å; V33-L37 HydrophobicContact CG1-CD1 3.87Å; V33-L37 HydrophobicContact CG1-CG 4.38Å; V33-L37 WeakPolarHBondContact O-CB 3.25Å; V33-L37 VanDerWaalsContact O-CG 3.25Å; V33-L37 WeakPolarHBondContact O-CG 3.41Å; V33-L37 PolarHBondContact O-N 3.38Å; V33-M53 HydrophobicContact CG1-CG 3.53Å; V33-V56 HydrophobicContact CG1-CG1 4.3Å; V33-V56 HydrophobicContact CG2-CG1 4.48Å; V33-L57 HydrophobicContact CG2-CB 4.34Å; V33-L57 HydrophobicContact CG2-CD1 4.33Å |
| 34 | K | 94.1 | Very high | 84.2 | Confident | 22 Ų | 22 | 25.1 Ų | 25.1 | 10% | 0.096 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.6 | -53.1 | 174.1 | 178.8 | -161.2 | 167.2 | -160.9 | 0 | 111.3 | L30 D31 L32 R36 L37 Q38 D222 P258 R259 | L30-K34 WeakPolarHBondContact O-CB 3.29Å; L30-K34 PolarHBondContact O-N 2.9Å; D31-K34 PolarHBondContact O-N 3.43Å; L32-K34 VanDerWaalsContact C-N 3.3Å; L32-K34 PolarHBondContact O-N 3.3Å; K34-R36 VanDerWaalsContact C-N 3.34Å; K34-R36 PolarHBondContact O-N 2.91Å; K34-L37 PolarHBondContact O-N 2.91Å; K34-Q38 VanDerWaalsContact CE-NE2 3.33Å; K34-Q38 WeakPolarHBondContact O-CG 3.25Å; K34-Q38 PolarHBondContact O-N 3.22Å; K34-D222 WeakPolarHBondContact CE-OD2 3.46Å; K34-D222 IonicContact NZ-OD1 2.88Å; K34-D222 PolarHBondContact NZ-OD1 2.8Å; K34-D222 IonicContact NZ-OD2 2.88Å; K34-D222 PolarHBondContact NZ-OD2 2.81Å; K34-P258 HydrophobicContact CB-CB 4.07Å; K34-P258 HydrophobicContact CB-CG 3.8Å; K34-P258 HydrophobicContact CG-CG 4.27Å; K34-R259 HydrophobicContact CD-CB 4.21Å |
| 35 | T | 92.3 | Very high | 82.3 | Confident | 5 Ų | 5 | 32.9 Ų | 32.9 | 3% | 0.031 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.2 | -45.8 | -178 | -62.9 | 0 | 0 | 0 | 0 | 110.3 | D31 L32 L37 Q38 T39 E135 C136 T226 | D31-T35 WeakPolarHBondContact O-CB 3.47Å; D31-T35 PolarHBondContact O-N 3.02Å; D31-T35 PolarHBondContact O-OG1 3.45Å; D31-T35 VanDerWaalsContact O-OG1 3.06Å; L32-T35 PolarHBondContact O-N 2.91Å; T35-L37 PolarHBondContact O-N 3.42Å; T35-Q38 PolarHBondContact O-N 3.11Å; T35-T39 HydrophobicContact CG2-CG2 4.09Å; T35-T39 WeakPolarHBondContact O-CB 3.27Å; T35-T39 WeakPolarHBondContact O-CG2 3.34Å; T35-T39 PolarHBondContact O-N 3.45Å; T35-T39 PolarHBondContact O-OG1 2.98Å; T35-T39 VanDerWaalsContact O-OG1 3.07Å; T35-E135 HydrophobicContact CG2-CB 3.71Å; T35-E135 PolarHBondContact OG1-OE2 2.93Å; T35-C136 HydrophobicContact CG2-CB 4.17Å; T35-T226 HydrophobicContact CG2-CG2 4.1Å |
| 36 | R | 91.3 | Very high | 80.2 | Confident | 34 Ų | 34 | 34.7 Ų | 34.7 | 13% | 0.128 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61 | -43.8 | 176.6 | -66.5 | -73.3 | -179.4 | 145.2 | 20.7 | 112.6 | L32 K34 Q38 T39 S40 V56 E64 E135 C136 | L32-R36 HydrophobicContact CD2-CG 3.91Å; L32-R36 HydrophobicContact CG-CG 4.34Å; L32-R36 WeakPolarHBondContact O-CB 3.21Å; L32-R36 VanDerWaalsContact O-CG 3.24Å; L32-R36 WeakPolarHBondContact O-CG 3.31Å; L32-R36 PolarHBondContact O-N 3.24Å; K34-R36 VanDerWaalsContact C-N 3.34Å; K34-R36 PolarHBondContact O-N 2.91Å; R36-Q38 VanDerWaalsContact C-N 3.28Å; R36-Q38 PolarHBondContact O-N 3.19Å; R36-T39 PolarHBondContact O-N 3.43Å; R36-T39 PolarHBondContact O-OG1 3.47Å; R36-S40 VanDerWaalsContact O-CB 3.24Å; R36-S40 WeakPolarHBondContact O-CB 3.21Å; R36-S40 PolarHBondContact O-N 3.29Å; R36-S40 PolarHBondContact O-OG 3.19Å; R36-V56 HydrophobicContact CB-CG1 3.59Å; R36-V56 HydrophobicContact CG-CG1 4.3Å; R36-E64 IonicContact CZ-OE1 3.47Å; R36-E64 IonicContact NH1-OE1 2.87Å; R36-E64 IonicContact NH2-OE1 3.72Å; R36-E64 PolarHBondContact NH2-OE1 2.88Å; R36-E64 IonicContact NH2-OE2 3.79Å; R36-E135 WeakPolarHBondContact CD-O 3.18Å; R36-E135 WeakPolarHBondContact CG-O 3.31Å; R36-E135 PolarHBondContact NE-O 3.4Å; R36-C136 VanDerWaalsContact CD-O 3.28Å; R36-C136 WeakPolarHBondContact CD-O 3.2Å; R36-C136 PolarHBondContact NE-O 3.16Å; R36-C136 VanDerWaalsContact NE-O 3.15Å; R36-C136 VanDerWaalsContact NH1-C 3.34Å; R36-C136 PolarHBondContact NH1-O 3.49Å |
| 37 | L | 90.5 | Very high | 78.2 | Confident | 11 Ų | 11 | 33.9 Ų | 33.9 | 6% | 0.058 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.3 | -37.6 | 176.3 | -78.2 | 169 | 0 | 0 | 0 | 112.6 | V33 K34 T35 V51 M53 V56 P258 | V33-L37 HydrophobicContact CG1-CD1 3.87Å; V33-L37 HydrophobicContact CG1-CG 4.38Å; V33-L37 WeakPolarHBondContact O-CB 3.25Å; V33-L37 VanDerWaalsContact O-CG 3.25Å; V33-L37 WeakPolarHBondContact O-CG 3.41Å; V33-L37 PolarHBondContact O-N 3.38Å; K34-L37 PolarHBondContact O-N 2.91Å; T35-L37 PolarHBondContact O-N 3.42Å; L37-V51 WeakPolarHBondContact CD2-O 2.92Å; L37-M53 HydrophobicContact CD1-CB 4.05Å; L37-M53 HydrophobicContact CD1-CG 4.13Å; L37-V56 HydrophobicContact CD2-CB 4.38Å; L37-V56 HydrophobicContact CD2-CG2 3.47Å; L37-V56 VanDerWaalsContact CD2-CG2 3.47Å; L37-V56 HydrophobicContact CG-CB 4.45Å; L37-V56 HydrophobicContact CG-CG2 3.87Å; L37-P258 HydrophobicContact CD1-CG 4.05Å |
| 38 | Q | 89.4 | Confident | 76.5 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -72.8 | -40.3 | 177.5 | -71.1 | 177.4 | -17.6 | 0 | 0 | 111.5 | K34 T35 R36 D222 V223 T226 H227 R254 | K34-Q38 VanDerWaalsContact CE-NE2 3.33Å; K34-Q38 WeakPolarHBondContact O-CG 3.25Å; K34-Q38 PolarHBondContact O-N 3.22Å; T35-Q38 PolarHBondContact O-N 3.11Å; R36-Q38 VanDerWaalsContact C-N 3.28Å; R36-Q38 PolarHBondContact O-N 3.19Å; Q38-D222 PolarHBondContact NE2-OD2 3.1Å; Q38-V223 HydrophobicContact CG-CG2 4.23Å; Q38-T226 HydrophobicContact CB-CG2 3.84Å; Q38-T226 PolarHBondContact OE1-OG1 3.27Å; Q38-H227 PolarHBondContact O-NE2 3.38Å; Q38-R254 WeakPolarHBondContact CG-O 3.38Å; Q38-R254 PolarHBondContact NE2-O 3.25Å |
| 39 | T | 86 | Confident | 74.7 | Confident | 8 Ų | 8 | 42.1 Ų | 42.1 | 5% | 0.049 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -86.2 | -23.7 | -174.6 | 61 | 0 | 0 | 0 | 0 | 114.2 | T35 R36 Q41 S42 C136 T226 V230 | T35-T39 HydrophobicContact CG2-CG2 4.09Å; T35-T39 WeakPolarHBondContact O-CB 3.27Å; T35-T39 WeakPolarHBondContact O-CG2 3.34Å; T35-T39 PolarHBondContact O-N 3.45Å; T35-T39 PolarHBondContact O-OG1 2.98Å; T35-T39 VanDerWaalsContact O-OG1 3.07Å; R36-T39 PolarHBondContact O-N 3.43Å; R36-T39 PolarHBondContact O-OG1 3.47Å; T39-Q41 PolarHBondContact O-N 3.3Å; T39-S42 PolarHBondContact O-N 2.85Å; T39-S42 PolarHBondContact O-OG 3.48Å; T39-C136 HydrophobicContact CG2-CB 3.8Å; T39-T226 HydrophobicContact CG2-CG2 3.5Å; T39-T226 VanDerWaalsContact CG2-CG2 3.5Å; T39-V230 HydrophobicContact CG2-CB 4.22Å; T39-V230 HydrophobicContact CG2-CG1 4.34Å; T39-V230 HydrophobicContact CG2-CG2 3.64Å |
| 40 | S | 74.1 | Confident | 73.3 | Confident | 36 Ų | 36 | 48.8 Ų | 48.8 | 25% | 0.252 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -55 | -21.5 | 174.4 | -80.8 | 0 | 0 | 0 | 0 | 112.2 | R36 M44 | R36-S40 VanDerWaalsContact O-CB 3.24Å; R36-S40 WeakPolarHBondContact O-CB 3.21Å; R36-S40 PolarHBondContact O-N 3.29Å; R36-S40 PolarHBondContact O-OG 3.19Å; S40-M44 WeakPolarHBondContact O-CE 3.47Å |
| 41 | Q | 61.4 | Low | 72.4 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -69 | -32.7 | 174.7 | -69.1 | -178.2 | -32.3 | 0 | 0 | 113.6 | T39 G43 H227 Y242 | T39-Q41 PolarHBondContact O-N 3.3Å; Q41-G43 PolarHBondContact O-N 2.89Å; Q41-G43 VanDerWaalsContact O-N 3.1Å; Q41-H227 PolarHBondContact OE1-NE2 2.97Å; Q41-Y242 PolarHBondContact O-OH 3.19Å |
| 42 | S | 53.7 | Low | 71.9 | Confident | 20 Ų | 20 | 50.3 Ų | 50.3 | 14% | 0.14 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -72.8 | -2.7 | -171.3 | -43.3 | 0 | 0 | 0 | 0 | 114.7 | T39 H227 N231 | T39-S42 PolarHBondContact O-N 2.85Å; T39-S42 PolarHBondContact O-OG 3.48Å; S42-H227 PolarHBondContact OG-CE1 2.92Å; S42-H227 VanDerWaalsContact OG-CE1 3.27Å; S42-H227 PolarHBondContact OG-ND1 3.21Å; S42-N231 WeakPolarHBondContact CB-ND2 3.31Å; S42-N231 PolarHBondContact OG-ND2 2.88Å |
| 43 | G | 50.5 | Low | 71.6 | Confident | 64 Ų | 64 | 53.6 Ų | 53.6 | 66% | 0.66 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -133.7 | 0.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q41 | Q41-G43 PolarHBondContact O-N 2.89Å; Q41-G43 VanDerWaalsContact O-N 3.1Å |
| 44 | M | 49.5 | Very low | 71.3 | Confident | 63 Ų | 63 | 58.1 Ų | 58.1 | 31% | 0.31 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -89.8 | 131.1 | 179.7 | -113.1 | 75.2 | 93.3 | 0 | 0 | 110.7 | S40 V51 | S40-M44 WeakPolarHBondContact O-CE 3.47Å; M44-V51 HydrophobicContact CE-CG2 3.81Å |
| 45 | Q | 50.2 | Low | 71 | Confident | 170 Ų | 170 | 59.6 Ų | 59.6 | 79% | 0.794 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -56.2 | 145.3 | 168.2 | -70.2 | -178.6 | -9.3 | 0 | 0 | 110.4 | G47 S48 | Q45-G47 PolarHBondContact O-N 2.95Å; Q45-G47 VanDerWaalsContact O-N 3.13Å; Q45-S48 PolarHBondContact O-N 3.09Å |
| 46 | P | 49 | Very low | 70.8 | Confident | 120 Ų | 120 | 60 Ų | 60 | 78% | 0.779 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 120.1 | 174 | -17.6 | 28.6 | 0 | 0 | 0 | 109.6 | ||
| 47 | G | 52.7 | Low | 70.7 | Confident | 85 Ų | 85 | 61.8 Ų | 61.8 | 88% | 0.876 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 108.1 | -4.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | Q45 | Q45-G47 PolarHBondContact O-N 2.95Å; Q45-G47 VanDerWaalsContact O-N 3.13Å |
| 48 | S | 58.2 | Low | 70.7 | Confident | 74 Ų | 74 | 66.9 Ų | 66.9 | 52% | 0.517 | 41% | 0.414 | S | S | . | . | trans | -67.9 | 142.9 | 173.6 | -172 | 0 | 0 | 0 | 0 | 112.2 | Q45 | Q45-S48 PolarHBondContact O-N 3.09Š| ||
| 49 | S | 57.4 | Low | 70.6 | Confident | 105 Ų | 105 | 68.3 Ų | 68.3 | 73% | 0.734 | 43% | 0.429 | S | S | * | . | trans | -53.7 | 139.2 | -175.5 | -172 | 0 | 0 | 0 | 0 | 112.1 | V51 | S49-V51 PolarHBondContact O-N 3.17Å; S49-V51 VanDerWaalsContact O-N 3.07Å | ||
| 50 | R | 64.3 | Low | 70.7 | Confident | 163 Ų | 163 | 68.3 Ų | 68.3 | 62% | 0.615 | 43% | 0.429 | S | S | * | . | trans | -66.4 | 111.5 | -175.8 | -59.3 | -177.5 | -168.4 | -173.6 | 3.7 | 109.5 | G52 E250 | R50-G52 PolarHBondContact O-N 2.85Å; R50-E250 IonicContact CZ-OE1 2.68Å; R50-E250 IonicContact CZ-OE2 3.85Å; R50-E250 IonicContact NH1-OE1 2.66Å; R50-E250 PolarHBondContact NH1-OE1 3Å; R50-E250 IonicContact NH1-OE2 2.71Å; R50-E250 PolarHBondContact NH1-OE2 2.9Å; R50-E250 IonicContact NH2-OE2 3.76Å | ||
| 51 | V | 74.7 | Confident | 71.5 | Confident | 41 Ų | 41 | 69.2 Ų | 69.2 | 25% | 0.248 | 43% | 0.433 | C | S | . | . | trans | -69.5 | 114.4 | 176.2 | -171.7 | 0 | 0 | 0 | 0 | 109.4 | L37 M44 S49 S55 V56 | L37-V51 WeakPolarHBondContact CD2-O 2.92Å; M44-V51 HydrophobicContact CE-CG2 3.81Å; S49-V51 PolarHBondContact O-N 3.17Å; S49-V51 VanDerWaalsContact O-N 3.07Å; V51-S55 WeakPolarHBondContact CG1-OG 3.45Å; V51-V56 HydrophobicContact CG1-CG2 3.57Å | ||
| 52 | G | 83.3 | Confident | 72.9 | Confident | 32 Ų | 32 | 80 Ų | 80 | 33% | 0.33 | 47% | 0.473 | S | S | . | . | trans | -79.8 | 163.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | R50 T54 S55 V56 | R50-G52 PolarHBondContact O-N 2.85Å; G52-T54 VanDerWaalsContact C-N 3.3Å; G52-T54 PolarHBondContact O-N 3.41Å; G52-S55 PolarHBondContact N-OG 3.03Å; G52-S55 PolarHBondContact O-N 3Å; G52-S55 VanDerWaalsContact O-N 3.16Å; G52-S55 PolarHBondContact O-OG 2.91Å; G52-V56 PolarHBondContact O-N 2.91Å; G52-V56 VanDerWaalsContact O-N 3.07Å | ||
| 53 | M | 86.6 | Confident | 74.6 | Confident | 69 Ų | 69 | 84.1 Ų | 84.1 | 34% | 0.34 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -56.5 | -42.8 | 179.2 | -172.2 | 178.1 | 73.1 | 0 | 0 | 112.8 | V33 L37 V56 L57 V257 P258 | V33-M53 HydrophobicContact CG1-CG 3.53Å; L37-M53 HydrophobicContact CD1-CB 4.05Å; L37-M53 HydrophobicContact CD1-CG 4.13Å; M53-V56 PolarHBondContact O-N 2.89Å; M53-L57 PolarHBondContact O-N 3.22Å; M53-V257 HydrophobicContact CE-CG1 4.41Å; M53-V257 HydrophobicContact SD-CG1 4.08Å; M53-P258 HydrophobicContact SD-CB 4.22Å; M53-P258 HydrophobicContact SD-CG 4.47Å |
| 54 | T | 87.3 | Confident | 76.3 | Confident | 98 Ų | 98 | 83.8 Ų | 83.8 | 60% | 0.601 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -64.5 | -40.9 | 178.1 | 50.2 | 0 | 0 | 0 | 0 | 111.7 | G52 V56 L57 L58 | G52-T54 VanDerWaalsContact C-N 3.3Å; G52-T54 PolarHBondContact O-N 3.41Å; T54-V56 PolarHBondContact O-N 3.16Å; T54-L57 PolarHBondContact O-N 3.33Å; T54-L58 WeakPolarHBondContact O-CB 3.44Å; T54-L58 VanDerWaalsContact O-CG 3.29Å; T54-L58 WeakPolarHBondContact O-CG 3.5Å; T54-L58 PolarHBondContact O-N 2.74Å |
| 55 | S | 88 | Confident | 78.3 | Confident | 53 Ų | 53 | 90.4 Ų | 90.4 | 37% | 0.371 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.1 | -36 | 176.6 | 60.7 | 0 | 0 | 0 | 0 | 113 | V51 G52 G59 | V51-S55 WeakPolarHBondContact CG1-OG 3.45Å; G52-S55 PolarHBondContact N-OG 3.03Å; G52-S55 PolarHBondContact O-N 3Å; G52-S55 VanDerWaalsContact O-N 3.16Å; G52-S55 PolarHBondContact O-OG 2.91Å; S55-G59 WeakPolarHBondContact O-CA 3.04Å; S55-G59 PolarHBondContact O-N 3.16Å |
| 56 | V | 88.6 | Confident | 80.1 | Confident | 13 Ų | 13 | 87.4 Ų | 87.4 | 8% | 0.079 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -65.5 | -46.3 | 172.5 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | V33 R36 L37 V51 G52 M53 T54 G59 V60 | V33-V56 HydrophobicContact CG1-CG1 4.3Å; V33-V56 HydrophobicContact CG2-CG1 4.48Å; R36-V56 HydrophobicContact CB-CG1 3.59Å; R36-V56 HydrophobicContact CG-CG1 4.3Å; L37-V56 HydrophobicContact CD2-CB 4.38Å; L37-V56 HydrophobicContact CD2-CG2 3.47Å; L37-V56 VanDerWaalsContact CD2-CG2 3.47Å; L37-V56 HydrophobicContact CG-CB 4.45Å; L37-V56 HydrophobicContact CG-CG2 3.87Å; V51-V56 HydrophobicContact CG1-CG2 3.57Å; G52-V56 PolarHBondContact O-N 2.91Å; G52-V56 VanDerWaalsContact O-N 3.07Å; M53-V56 PolarHBondContact O-N 2.89Å; T54-V56 PolarHBondContact O-N 3.16Å; V56-G59 PolarHBondContact O-N 2.89Å; V56-V60 HydrophobicContact CG1-CG2 4.38Å; V56-V60 WeakPolarHBondContact O-CG2 3.35Å; V56-V60 PolarHBondContact O-N 3.23Å |
| 57 | L | 89.5 | Confident | 82.1 | Confident | 72 Ų | 72 | 88.7 Ų | 88.7 | 38% | 0.377 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.3 | -49 | -179.2 | -177.1 | 135.5 | 0 | 0 | 0 | 111.7 | V33 M53 T54 G59 V60 V61 | V33-L57 HydrophobicContact CG2-CB 4.34Å; V33-L57 HydrophobicContact CG2-CD1 4.33Å; M53-L57 PolarHBondContact O-N 3.22Å; T54-L57 PolarHBondContact O-N 3.33Å; L57-G59 VanDerWaalsContact C-N 3.32Å; L57-G59 PolarHBondContact O-N 3.37Å; L57-V60 PolarHBondContact O-N 3.49Å; L57-V61 WeakPolarHBondContact O-CG2 3.27Å; L57-V61 PolarHBondContact O-N 3.5Å |
| 58 | L | 89.7 | Confident | 83.8 | Confident | 118 Ų | 118 | 85 Ų | 85 | 62% | 0.618 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -62.8 | -39.6 | 175.8 | -71.3 | 168.3 | 0 | 0 | 0 | 111.6 | T54 V61 R62 | T54-L58 WeakPolarHBondContact O-CB 3.44Å; T54-L58 VanDerWaalsContact O-CG 3.29Å; T54-L58 WeakPolarHBondContact O-CG 3.5Å; T54-L58 PolarHBondContact O-N 2.74Å; L58-V61 PolarHBondContact O-N 3.43Å; L58-R62 VanDerWaalsContact O-CB 3.27Å; L58-R62 WeakPolarHBondContact O-CB 3.35Å; L58-R62 PolarHBondContact O-N 2.82Å |
| 59 | G | 87.6 | Confident | 85.3 | Confident | 30 Ų | 30 | 82.1 Ų | 82.1 | 31% | 0.309 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -57.3 | -52 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | S55 V56 L57 V61 R62 T63 | S55-G59 WeakPolarHBondContact O-CA 3.04Å; S55-G59 PolarHBondContact O-N 3.16Å; V56-G59 PolarHBondContact O-N 2.89Å; L57-G59 VanDerWaalsContact C-N 3.32Å; L57-G59 PolarHBondContact O-N 3.37Å; G59-V61 PolarHBondContact O-N 3.47Å; G59-R62 PolarHBondContact O-N 3.06Å; G59-T63 WeakPolarHBondContact O-CG2 3.32Å; G59-T63 PolarHBondContact O-N 3.24Å; G59-T63 PolarHBondContact O-OG1 2.89Å |
| 60 | V | 88.6 | Confident | 87.1 | Confident | 8 Ų | 8 | 81.3 Ų | 81.3 | 5% | 0.048 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -61.9 | -44.2 | 179.6 | 175.7 | 0 | 0 | 0 | 0 | 111.3 | L32 V56 L57 R62 T63 E64 R65 L69 | L32-V60 HydrophobicContact CD2-CG1 4.18Å; L32-V60 HydrophobicContact CD2-CG2 3.82Å; V56-V60 HydrophobicContact CG1-CG2 4.38Å; V56-V60 WeakPolarHBondContact O-CG2 3.35Å; V56-V60 PolarHBondContact O-N 3.23Å; L57-V60 PolarHBondContact O-N 3.49Å; V60-R62 VanDerWaalsContact C-N 3.29Å; V60-R62 PolarHBondContact O-N 3.08Å; V60-T63 PolarHBondContact O-N 3.01Å; V60-E64 HydrophobicContact CG1-CB 4.33Å; V60-E64 WeakPolarHBondContact O-CA 3.31Å; V60-E64 WeakPolarHBondContact O-CB 3.37Å; V60-E64 PolarHBondContact O-N 3.35Å; V60-R65 PolarHBondContact O-N 2.9Å; V60-L69 HydrophobicContact CB-CD2 4.32Å; V60-L69 HydrophobicContact CG1-CD2 3.94Å; V60-L69 HydrophobicContact CG1-CG 4.42Å |
| 61 | V | 91.7 | Very high | 88.3 | Confident | 55 Ų | 55 | 76.2 Ų | 76.2 | 33% | 0.333 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.4 | -37.2 | 178.2 | 172.6 | 0 | 0 | 0 | 0 | 111.3 | L57 L58 G59 R65 L69 | L57-V61 WeakPolarHBondContact O-CG2 3.27Å; L57-V61 PolarHBondContact O-N 3.5Å; L58-V61 PolarHBondContact O-N 3.43Å; G59-V61 PolarHBondContact O-N 3.47Å; V61-R65 WeakPolarHBondContact O-CA 3.43Å; V61-R65 PolarHBondContact O-N 2.99Å; V61-L69 HydrophobicContact CG2-CD1 4.21Å; V61-L69 HydrophobicContact CG2-CG 4.48Å |
| 62 | R | 90.8 | Very high | 89.1 | Confident | 226 Ų | 226 | 74.4 Ų | 74.4 | 85% | 0.853 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -73.5 | -38.4 | 178.9 | -171 | 175.2 | 179.8 | 171.4 | 0.5 | 112.9 | L58 G59 V60 | L58-R62 VanDerWaalsContact O-CB 3.27Å; L58-R62 WeakPolarHBondContact O-CB 3.35Å; L58-R62 PolarHBondContact O-N 2.82Å; G59-R62 PolarHBondContact O-N 3.06Å; V60-R62 VanDerWaalsContact C-N 3.29Å; V60-R62 PolarHBondContact O-N 3.08Å |
| 63 | T | 88.6 | Confident | 89.5 | Confident | 108 Ų | 108 | 74.9 Ų | 74.9 | 66% | 0.663 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -92.6 | -40.9 | -175.1 | 58.4 | 0 | 0 | 0 | 0 | 113.8 | G59 V60 | G59-T63 WeakPolarHBondContact O-CG2 3.32Å; G59-T63 PolarHBondContact O-N 3.24Å; G59-T63 PolarHBondContact O-OG1 2.89Å; V60-T63 PolarHBondContact O-N 3.01Å |
| 64 | E | 86.6 | Confident | 89.9 | Confident | 57 Ų | 57 | 74.2 Ų | 74.2 | 27% | 0.266 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -110.6 | 4.1 | -172.7 | -59.7 | -172.2 | -123.8 | 0 | 0 | 112.7 | R36 V60 G68 K71 | R36-E64 IonicContact CZ-OE1 3.47Å; R36-E64 IonicContact NH1-OE1 2.87Å; R36-E64 IonicContact NH2-OE1 3.72Å; R36-E64 PolarHBondContact NH2-OE1 2.88Å; R36-E64 IonicContact NH2-OE2 3.79Å; V60-E64 HydrophobicContact CG1-CB 4.33Å; V60-E64 WeakPolarHBondContact O-CA 3.31Å; V60-E64 WeakPolarHBondContact O-CB 3.37Å; V60-E64 PolarHBondContact O-N 3.35Å; E64-G68 PolarHBondContact O-N 3.45Å; E64-K71 VanDerWaalsContact OE2-CD 3.26Å; E64-K71 WeakPolarHBondContact OE2-CD 3.32Å; E64-K71 IonicContact OE2-NZ 2.68Å; E64-K71 PolarHBondContact OE2-NZ 3.5Å |
| 65 | R | 90.9 | Very high | 90.2 | Very high | 201 Ų | 201 | 69.5 Ų | 69.5 | 76% | 0.758 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.9 | 176.8 | -173.2 | -48.8 | 176.3 | 81.7 | -174.1 | 5.5 | 111.9 | V60 V61 L67 G68 | V60-R65 PolarHBondContact O-N 2.9Å; V61-R65 WeakPolarHBondContact O-CA 3.43Å; V61-R65 PolarHBondContact O-N 2.99Å; R65-L67 VanDerWaalsContact C-N 3.28Å; R65-L67 PolarHBondContact O-N 2.85Å; R65-G68 PolarHBondContact O-N 2.84Å |
| 66 | L | 89 | Confident | 90.5 | Very high | 108 Ų | 108 | 67 Ų | 67 | 57% | 0.565 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -58.8 | -38 | -176.9 | -173 | 65.9 | 0 | 0 | 0 | 113 | G68 L69 | L66-G68 PolarHBondContact O-N 3.48Å; L66-L69 HydrophobicContact CD1-CD1 4Å; L66-L69 WeakPolarHBondContact O-CB 3.18Å; L66-L69 PolarHBondContact O-N 3Å |
| 67 | L | 89.1 | Confident | 90.8 | Very high | 147 Ų | 147 | 69.3 Ų | 69.3 | 77% | 0.77 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -66.5 | -19.3 | 177.8 | -65.8 | 176.4 | 0 | 0 | 0 | 113.1 | R65 L69 W70 | R65-L67 VanDerWaalsContact C-N 3.28Å; R65-L67 PolarHBondContact O-N 2.85Å; L67-L69 PolarHBondContact O-N 3.47Å; L67-W70 PolarHBondContact O-N 2.96Å |
| 68 | G | 88.4 | Confident | 91 | Very high | 7 Ų | 7 | 68.9 Ų | 68.9 | 7% | 0.072 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -58.2 | -26.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L32 E64 R65 L66 W70 K71 | L32-G68 WeakPolarHBondContact CD1-O 3.41Å; E64-G68 PolarHBondContact O-N 3.45Å; R65-G68 PolarHBondContact O-N 2.84Å; L66-G68 PolarHBondContact O-N 3.48Å; G68-W70 PolarHBondContact O-N 3.34Å; G68-K71 VanDerWaalsContact O-CB 3.22Å; G68-K71 WeakPolarHBondContact O-CB 3.24Å; G68-K71 PolarHBondContact O-N 2.88Å; G68-K71 VanDerWaalsContact O-N 3.15Å |
| 69 | L | 91.4 | Very high | 91.2 | Very high | 13 Ų | 13 | 66.4 Ų | 66.4 | 7% | 0.068 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -65.6 | -21.6 | 176.5 | -65.8 | 173.4 | 0 | 0 | 0 | 113.6 | P29 V60 V61 L66 L67 | P29-L69 WeakPolarHBondContact CA-O 3.34Å; P29-L69 HydrophobicContact CB-CB 4Å; P29-L69 HydrophobicContact CB-CD1 4.49Å; P29-L69 HydrophobicContact CG-CB 4.03Å; V60-L69 HydrophobicContact CB-CD2 4.32Å; V60-L69 HydrophobicContact CG1-CD2 3.94Å; V60-L69 HydrophobicContact CG1-CG 4.42Å; V61-L69 HydrophobicContact CG2-CD1 4.21Å; V61-L69 HydrophobicContact CG2-CG 4.48Å; L66-L69 HydrophobicContact CD1-CD1 4Å; L66-L69 WeakPolarHBondContact O-CB 3.18Å; L66-L69 PolarHBondContact O-N 3Å; L67-L69 PolarHBondContact O-N 3.47Å |
| 70 | W | 94.2 | Very high | 91.5 | Very high | 88 Ų | 88 | 65.7 Ų | 65.7 | 33% | 0.333 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -94.1 | 8.2 | 177 | -77.6 | -91.7 | 0 | 0 | 0 | 113.5 | L25 P29 L67 G68 G72 I73 | L25-W70 PolarHBondContact O-NE1 2.99Å; P29-W70 HydrophobicContact CG-CD2 4.36Å; P29-W70 HydrophobicContact CG-CH2 4.19Å; P29-W70 HydrophobicContact CG-CZ2 3.93Å; P29-W70 HydrophobicContact CG-CZ3 4.5Å; L67-W70 PolarHBondContact O-N 2.96Å; G68-W70 PolarHBondContact O-N 3.34Å; W70-G72 PolarHBondContact O-N 3.08Å; W70-I73 WeakPolarHBondContact O-CB 3.34Å; W70-I73 WeakPolarHBondContact O-CG2 3.44Å; W70-I73 PolarHBondContact O-N 3.36Å |
| 71 | K | 90.2 | Very high | 91.6 | Very high | 57 Ų | 57 | 68.7 Ų | 68.7 | 25% | 0.248 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 130.6 | 174.6 | -167.6 | 176.3 | -169.2 | 168.8 | 0 | 110.1 | Q28 L32 E64 G68 | Q28-K71 PolarHBondContact NE2-O 3.03Å; L32-K71 HydrophobicContact CD1-CB 3.73Å; E64-K71 VanDerWaalsContact OE2-CD 3.26Å; E64-K71 WeakPolarHBondContact OE2-CD 3.32Å; E64-K71 IonicContact OE2-NZ 2.68Å; E64-K71 PolarHBondContact OE2-NZ 3.5Å; G68-K71 VanDerWaalsContact O-CB 3.22Å; G68-K71 WeakPolarHBondContact O-CB 3.24Å; G68-K71 PolarHBondContact O-N 2.88Å; G68-K71 VanDerWaalsContact O-N 3.15Å |
| 72 | G | 90.3 | Very high | 91.7 | Very high | 3 Ų | 3 | 68.6 Ų | 68.6 | 3% | 0.031 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 96.1 | -0.7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | W70 S74 P75 S76 | W70-G72 PolarHBondContact O-N 3.08Å; G72-S74 VanDerWaalsContact C-N 3.33Å; G72-S74 PolarHBondContact O-N 3.02Å; G72-P75 WeakPolarHBondContact O-CD 3.41Å; G72-P75 WeakPolarHBondContact O-CG 3.17Å; G72-S76 WeakPolarHBondContact O-CB 3.39Å; G72-S76 PolarHBondContact O-N 2.98Å; G72-S76 PolarHBondContact O-OG 2.89Å |
| 73 | I | 93.5 | Very high | 91.8 | Very high | 42 Ų | 42 | 58.6 Ų | 58.6 | 22% | 0.215 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.4 | -39.5 | 178.1 | -165 | 167.3 | 0 | 0 | 0 | 113.6 | L25 W70 S76 F77 | L25-I73 HydrophobicContact CB-CD1 4.38Å; L25-I73 HydrophobicContact CD1-CD1 3.26Å; L25-I73 HydrophobicContact CG-CD1 4.4Å; W70-I73 WeakPolarHBondContact O-CB 3.34Å; W70-I73 WeakPolarHBondContact O-CG2 3.44Å; W70-I73 PolarHBondContact O-N 3.36Å; I73-S76 WeakPolarHBondContact O-CB 3.47Å; I73-S76 PolarHBondContact O-N 3.42Å; I73-F77 HydrophobicContact CD1-CE1 4.1Å; I73-F77 HydrophobicContact CD1-CE2 4.06Å; I73-F77 HydrophobicContact CD1-CZ 3.57Å; I73-F77 HydrophobicContact CG1-CD1 4.24Å; I73-F77 HydrophobicContact CG1-CD2 4.39Å; I73-F77 HydrophobicContact CG1-CE1 3.74Å; I73-F77 HydrophobicContact CG1-CE2 3.91Å; I73-F77 HydrophobicContact CG1-CZ 3.58Å; I73-F77 PolarHBondContact O-N 2.94Å |
| 74 | S | 93.3 | Very high | 91.9 | Very high | 54 Ų | 54 | 54.8 Ų | 54.8 | 38% | 0.378 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.6 | -52.5 | 179.5 | 49.7 | 0 | 0 | 0 | 0 | 112.7 | G72 S76 F77 V78 | G72-S74 VanDerWaalsContact C-N 3.33Å; G72-S74 PolarHBondContact O-N 3.02Å; S74-S76 PolarHBondContact O-N 3.3Å; S74-F77 PolarHBondContact O-N 3.04Å; S74-V78 WeakPolarHBondContact O-CG2 3.47Å; S74-V78 PolarHBondContact O-N 3.18Å; S74-V78 VanDerWaalsContact O-N 3.14Å |
| 75 | P | 94.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.8 | -27.1 | 172.9 | 25.7 | -33.7 | 0 | 0 | 0 | 112.5 | G72 R79 I127 I130 K131 F134 V144 | G72-P75 WeakPolarHBondContact O-CD 3.41Å; G72-P75 WeakPolarHBondContact O-CG 3.17Å; P75-R79 VanDerWaalsContact O-CB 3.23Å; P75-R79 WeakPolarHBondContact O-CB 3.46Å; P75-R79 PolarHBondContact O-N 2.92Å; P75-I127 HydrophobicContact CB-CG2 4.41Å; P75-I127 WeakPolarHBondContact O-CG2 3.41Å; P75-I130 HydrophobicContact CB-CG2 4.25Å; P75-K131 HydrophobicContact CB-CB 4.03Å; P75-K131 HydrophobicContact CG-CB 4.25Å; P75-F134 HydrophobicContact CG-CB 4.16Å; P75-F134 HydrophobicContact CG-CD1 4.49Å; P75-F134 HydrophobicContact CG-CD2 4.16Å; P75-F134 HydrophobicContact CG-CG 4.03Å; P75-V144 HydrophobicContact CB-CG2 3.95Å; P75-V144 HydrophobicContact CG-CG2 4.4Å |
| 76 | S | 94 | Very high | 92.2 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.8 | -41.6 | 173.7 | -63 | 0 | 0 | 0 | 0 | 112.9 | Q28 G72 I73 S74 R79 T80 K131 | Q28-S76 PolarHBondContact OE1-OG 3.43Å; G72-S76 WeakPolarHBondContact O-CB 3.39Å; G72-S76 PolarHBondContact O-N 2.98Å; G72-S76 PolarHBondContact O-OG 2.89Å; I73-S76 WeakPolarHBondContact O-CB 3.47Å; I73-S76 PolarHBondContact O-N 3.42Å; S74-S76 PolarHBondContact O-N 3.3Å; S76-R79 PolarHBondContact O-N 3.26Å; S76-T80 VanDerWaalsContact O-CB 3.28Å; S76-T80 WeakPolarHBondContact O-CB 3.46Å; S76-T80 PolarHBondContact O-N 2.92Å; S76-T80 PolarHBondContact O-OG1 3.49Å; S76-K131 WeakPolarHBondContact OG-CE 3.47Å |
| 77 | F | 94.8 | Very high | 92.4 | Very high | 61 Ų | 61 | 43.1 Ų | 43.1 | 27% | 0.268 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -68.9 | -46.9 | 176.3 | -69.4 | -9.4 | 0 | 0 | 0 | 111.8 | T21 T24 L25 I73 S74 R79 T80 I81 | T21-F77 HydrophobicContact CG2-CD1 3.67Å; T21-F77 HydrophobicContact CG2-CD2 4.4Å; T21-F77 HydrophobicContact CG2-CE1 3.34Å; T21-F77 HydrophobicContact CG2-CE2 4.13Å; T21-F77 HydrophobicContact CG2-CG 4.19Å; T21-F77 HydrophobicContact CG2-CZ 3.58Å; T24-F77 HydrophobicContact CG2-CD1 4.21Å; T24-F77 HydrophobicContact CG2-CE1 4.15Å; L25-F77 HydrophobicContact CB-CZ 4.42Å; I73-F77 HydrophobicContact CD1-CE1 4.1Å; I73-F77 HydrophobicContact CD1-CE2 4.06Å; I73-F77 HydrophobicContact CD1-CZ 3.57Å; I73-F77 HydrophobicContact CG1-CD1 4.24Å; I73-F77 HydrophobicContact CG1-CD2 4.39Å; I73-F77 HydrophobicContact CG1-CE1 3.74Å; I73-F77 HydrophobicContact CG1-CE2 3.91Å; I73-F77 HydrophobicContact CG1-CZ 3.58Å; I73-F77 PolarHBondContact O-N 2.94Å; S74-F77 PolarHBondContact O-N 3.04Å; F77-R79 PolarHBondContact O-N 2.92Å; F77-T80 PolarHBondContact O-N 3.39Å; F77-T80 VanDerWaalsContact O-N 3.09Å; F77-I81 PolarHBondContact O-N 2.95Å; F77-I81 VanDerWaalsContact O-N 3.08Å |
| 78 | V | 94.9 | Very high | 92.4 | Very high | 64 Ų | 64 | 40 Ų | 40 | 39% | 0.388 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60 | -28.1 | 176.7 | 178 | 0 | 0 | 0 | 0 | 111.7 | S74 P82 I127 | S74-V78 WeakPolarHBondContact O-CG2 3.47Å; S74-V78 PolarHBondContact O-N 3.18Å; S74-V78 VanDerWaalsContact O-N 3.14Å; V78-P82 WeakPolarHBondContact O-CD 3.47Å; V78-P82 VanDerWaalsContact O-CG 3.25Å; V78-P82 WeakPolarHBondContact O-CG 3.39Å; V78-I127 HydrophobicContact CB-CG2 4.11Å; V78-I127 HydrophobicContact CG1-CD1 3.98Å; V78-I127 HydrophobicContact CG1-CG1 4.2Å; V78-I127 HydrophobicContact CG1-CG2 3.95Å |
| 79 | R | 94.1 | Very high | 92.5 | Very high | 66 Ų | 66 | 43.5 Ų | 43.5 | 25% | 0.249 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -80.9 | -41.5 | 174.2 | -170 | -173.4 | 62.5 | 75.2 | 9.3 | 112.7 | P75 S76 F77 G83 M124 I127 T128 | P75-R79 VanDerWaalsContact O-CB 3.23Å; P75-R79 WeakPolarHBondContact O-CB 3.46Å; P75-R79 PolarHBondContact O-N 2.92Å; S76-R79 PolarHBondContact O-N 3.26Å; F77-R79 PolarHBondContact O-N 2.92Å; R79-G83 WeakPolarHBondContact O-CA 3.28Å; R79-G83 PolarHBondContact O-N 3.47Å; R79-G83 VanDerWaalsContact O-N 3.13Å; R79-M124 HydrophobicContact CG-CB 4.43Å; R79-I127 HydrophobicContact CB-CB 4.37Å; R79-I127 HydrophobicContact CB-CG2 3.73Å; R79-I127 HydrophobicContact CG-CG2 4.47Å; R79-T128 WeakPolarHBondContact CD-OG1 3.46Å |
| 80 | T | 92.2 | Very high | 92.6 | Very high | 15 Ų | 15 | 43.8 Ų | 43.8 | 9% | 0.092 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -76.5 | -48.2 | -168.2 | -58.6 | 0 | 0 | 0 | 0 | 111.6 | S76 F77 G83 V84 | S76-T80 VanDerWaalsContact O-CB 3.28Å; S76-T80 WeakPolarHBondContact O-CB 3.46Å; S76-T80 PolarHBondContact O-N 2.92Å; S76-T80 PolarHBondContact O-OG1 3.49Å; F77-T80 PolarHBondContact O-N 3.39Å; F77-T80 VanDerWaalsContact O-N 3.09Å; T80-G83 PolarHBondContact O-N 3.19Å; T80-V84 VanDerWaalsContact O-CG2 3.3Å; T80-V84 WeakPolarHBondContact O-CG2 3.47Å; T80-V84 PolarHBondContact O-N 3.3Å |
| 81 | I | 92 | Very high | 92.4 | Very high | 70 Ų | 70 | 42.8 Ų | 42.8 | 36% | 0.359 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.4 | -54.8 | -174.8 | -60.6 | 162.2 | 0 | 0 | 0 | 110.8 | F13 F77 G83 V84 | F13-I81 WeakPolarHBondContact CE2-O 3.37Å; F13-I81 HydrophobicContact CZ-CG2 4.23Å; F77-I81 PolarHBondContact O-N 2.95Å; F77-I81 VanDerWaalsContact O-N 3.08Å; I81-G83 VanDerWaalsContact C-N 3.33Å; I81-G83 PolarHBondContact O-N 3.43Å; I81-V84 PolarHBondContact O-N 2.85Å |
| 82 | P | 92.9 | Very high | 92.4 | Very high | 54 Ų | 54 | 44.2 Ų | 44.2 | 35% | 0.351 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -69.4 | -32.6 | 178.2 | -19.9 | 37.3 | 0 | 0 | 0 | 112.1 | V78 V84 G85 I86 M124 | V78-P82 WeakPolarHBondContact O-CD 3.47Å; V78-P82 VanDerWaalsContact O-CG 3.25Å; V78-P82 WeakPolarHBondContact O-CG 3.39Å; P82-V84 VanDerWaalsContact C-N 3.34Å; P82-V84 PolarHBondContact O-N 3.4Å; P82-G85 PolarHBondContact O-N 3.04Å; P82-I86 WeakPolarHBondContact O-CG1 3.39Å; P82-I86 PolarHBondContact O-N 3.31Å; P82-M124 HydrophobicContact CB-CE 3.43Å; P82-M124 VanDerWaalsContact CB-CE 3.43Å; P82-M124 HydrophobicContact CB-SD 4.19Å; P82-M124 HydrophobicContact CG-CE 4.45Å |
| 83 | G | 92.3 | Very high | 92.4 | Very high | 15 Ų | 15 | 47.5 Ų | 47.5 | 16% | 0.155 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.5 | -37.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | R79 T80 I81 Y87 | R79-G83 WeakPolarHBondContact O-CA 3.28Å; R79-G83 PolarHBondContact O-N 3.47Å; R79-G83 VanDerWaalsContact O-N 3.13Å; T80-G83 PolarHBondContact O-N 3.19Å; I81-G83 VanDerWaalsContact C-N 3.33Å; I81-G83 PolarHBondContact O-N 3.43Å; G83-Y87 WeakPolarHBondContact O-CB 3.35Å; G83-Y87 PolarHBondContact O-N 3.46Å |
| 84 | V | 91 | Very high | 92.2 | Very high | 28 Ų | 28 | 47.8 Ų | 47.8 | 17% | 0.17 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.7 | -44.8 | 173.6 | 170.6 | 0 | 0 | 0 | 0 | 110.6 | F13 T80 I81 P82 Y87 F88 | F13-V84 HydrophobicContact CD2-CG1 4.14Å; T80-V84 VanDerWaalsContact O-CG2 3.3Å; T80-V84 WeakPolarHBondContact O-CG2 3.47Å; T80-V84 PolarHBondContact O-N 3.3Å; I81-V84 PolarHBondContact O-N 2.85Å; P82-V84 VanDerWaalsContact C-N 3.34Å; P82-V84 PolarHBondContact O-N 3.4Å; V84-Y87 PolarHBondContact O-N 3.33Å; V84-F88 HydrophobicContact CG1-CD2 3.65Å; V84-F88 HydrophobicContact CG1-CE2 3.63Å; V84-F88 VanDerWaalsContact O-CD2 3.26Å; V84-F88 WeakPolarHBondContact O-CD2 3.35Å; V84-F88 PolarHBondContact O-N 3.42Å; V84-F88 VanDerWaalsContact O-N 3.07Å |
| 85 | G | 90.8 | Very high | 92 | Very high | 15 Ų | 15 | 49 Ų | 49 | 16% | 0.155 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.2 | -53.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | F13 P82 Y87 F88 S89 | F13-G85 VanDerWaalsContact CD2-CA 3.46Å; F13-G85 VanDerWaalsContact CE2-CA 3.47Å; P82-G85 PolarHBondContact O-N 3.04Å; G85-Y87 VanDerWaalsContact C-N 3.3Å; G85-Y87 PolarHBondContact O-N 2.95Å; G85-F88 PolarHBondContact O-N 3.4Å; G85-S89 WeakPolarHBondContact O-CB 3.4Å; G85-S89 PolarHBondContact O-N 3.16Å; G85-S89 PolarHBondContact O-OG 2.94Å; G85-S89 VanDerWaalsContact O-OG 3.1Å |
| 86 | I | 93.8 | Very high | 91.7 | Very high | 40 Ų | 40 | 54.2 Ų | 54.2 | 21% | 0.205 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.1 | -43.2 | 179.8 | -62.9 | 176.2 | 0 | 0 | 0 | 110.8 | P82 S89 S90 V119 A120 V123 M124 | P82-I86 WeakPolarHBondContact O-CG1 3.39Å; P82-I86 PolarHBondContact O-N 3.31Å; I86-S89 PolarHBondContact O-N 2.75Å; I86-S90 VanDerWaalsContact O-CB 3.24Å; I86-S90 WeakPolarHBondContact O-CB 3.5Å; I86-S90 PolarHBondContact O-N 2.71Å; I86-S90 PolarHBondContact O-OG 2.71Å; I86-V119 HydrophobicContact CG2-CG1 4.2Å; I86-A120 HydrophobicContact CB-CB 4.38Å; I86-A120 HydrophobicContact CG2-CB 3.97Å; I86-V123 HydrophobicContact CD1-CB 3.94Å; I86-V123 HydrophobicContact CD1-CG1 3.53Å; I86-M124 HydrophobicContact CD1-CE 3.25Å; I86-M124 HydrophobicContact CG1-CE 4.4Å |
| 87 | Y | 92.4 | Very high | 91.4 | Very high | 66 Ų | 66 | 60.9 Ų | 60.9 | 26% | 0.259 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.1 | -51.2 | 178 | 172 | -102.3 | 0 | 0 | 0 | 112.1 | G83 V84 G85 Y91 A116 R117 | G83-Y87 WeakPolarHBondContact O-CB 3.35Å; G83-Y87 PolarHBondContact O-N 3.46Å; V84-Y87 PolarHBondContact O-N 3.33Å; G85-Y87 VanDerWaalsContact C-N 3.3Å; G85-Y87 PolarHBondContact O-N 2.95Å; Y87-Y91 WeakPolarHBondContact O-CB 3.32Å; Y87-Y91 PolarHBondContact O-N 2.89Å; Y87-A116 HydrophobicContact CD2-CB 3.86Å; Y87-A116 HydrophobicContact CE2-CB 3.83Å; Y87-R117 HydrophobicContact CD2-CG 4.04Å; Y87-R117 HydrophobicContact CE2-CG 3.74Å |
| 88 | F | 89.8 | Confident | 91 | Very high | 82 Ų | 82 | 64.3 Ų | 64.3 | 36% | 0.36 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -67.8 | -39.3 | -178.9 | -77.7 | -61.2 | 0 | 0 | 0 | 112.5 | V84 G85 Y91 H92 | V84-F88 HydrophobicContact CG1-CD2 3.65Å; V84-F88 HydrophobicContact CG1-CE2 3.63Å; V84-F88 VanDerWaalsContact O-CD2 3.26Å; V84-F88 WeakPolarHBondContact O-CD2 3.35Å; V84-F88 PolarHBondContact O-N 3.42Å; V84-F88 VanDerWaalsContact O-N 3.07Å; G85-F88 PolarHBondContact O-N 3.4Å; F88-Y91 PolarHBondContact O-N 2.9Å; F88-H92 WeakPolarHBondContact O-CB 3.38Å; F88-H92 PolarHBondContact O-N 2.89Å |
| 89 | S | 90.9 | Very high | 90.4 | Very high | 80 Ų | 80 | 63.2 Ų | 63.2 | 56% | 0.559 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -63 | -47.9 | 175.3 | -65.4 | 0 | 0 | 0 | 0 | 111.7 | G85 I86 H92 S93 | G85-S89 WeakPolarHBondContact O-CB 3.4Å; G85-S89 PolarHBondContact O-N 3.16Å; G85-S89 PolarHBondContact O-OG 2.94Å; G85-S89 VanDerWaalsContact O-OG 3.1Å; I86-S89 PolarHBondContact O-N 2.75Å; S89-H92 PolarHBondContact O-N 3.32Å; S89-S93 VanDerWaalsContact O-CB 3.31Å; S89-S93 WeakPolarHBondContact O-CB 3.4Å; S89-S93 PolarHBondContact O-N 2.86Å |
| 90 | S | 92.5 | Very high | 89.4 | Confident | 19 Ų | 19 | 67.6 Ų | 67.6 | 13% | 0.133 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.9 | -40.9 | 176.6 | -62.9 | 0 | 0 | 0 | 0 | 111.8 | I86 S93 L94 V119 | I86-S90 VanDerWaalsContact O-CB 3.24Å; I86-S90 WeakPolarHBondContact O-CB 3.5Å; I86-S90 PolarHBondContact O-N 2.71Å; I86-S90 PolarHBondContact O-OG 2.71Å; S90-S93 PolarHBondContact O-N 3.09Å; S90-L94 VanDerWaalsContact O-CB 3.29Å; S90-L94 WeakPolarHBondContact O-CB 3.21Å; S90-L94 WeakPolarHBondContact O-CG 3.35Å; S90-L94 PolarHBondContact O-N 3.39Å; S90-V119 WeakPolarHBondContact OG-CG1 3.2Å |
| 91 | Y | 90.4 | Very high | 88.3 | Confident | 67 Ų | 67 | 74.5 Ų | 74.5 | 26% | 0.263 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.2 | -46.2 | 176 | -177.9 | -90.6 | 0 | 0 | 0 | 111.5 | Y87 F88 K95 L112 A116 | Y87-Y91 WeakPolarHBondContact O-CB 3.32Å; Y87-Y91 PolarHBondContact O-N 2.89Å; F88-Y91 PolarHBondContact O-N 2.9Å; Y91-K95 HydrophobicContact CE1-CD 4.3Å; Y91-K95 WeakPolarHBondContact O-CB 3.44Å; Y91-K95 PolarHBondContact O-N 3.07Å; Y91-L112 HydrophobicContact CD2-CD2 4.09Å; Y91-L112 HydrophobicContact CD2-CG 3.81Å; Y91-L112 HydrophobicContact CE1-CD2 4.24Å; Y91-L112 HydrophobicContact CE2-CB 4.4Å; Y91-L112 HydrophobicContact CE2-CD2 3.49Å; Y91-L112 VanDerWaalsContact CE2-CD2 3.49Å; Y91-L112 HydrophobicContact CE2-CG 3.58Å; Y91-A116 HydrophobicContact CD2-CB 4.42Å |
| 92 | H | 89.4 | Confident | 87.5 | Confident | 87 Ų | 87 | 75 Ų | 75 | 40% | 0.403 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65.9 | -45.2 | 179.3 | -166.9 | 70.5 | 0 | 0 | 0 | 111.8 | F88 S89 K95 Q96 | F88-H92 WeakPolarHBondContact O-CB 3.38Å; F88-H92 PolarHBondContact O-N 2.89Å; S89-H92 PolarHBondContact O-N 3.32Å; H92-K95 PolarHBondContact O-N 3.09Å; H92-Q96 VanDerWaalsContact CD2-CD 3.45Å; H92-Q96 PolarHBondContact CD2-OE1 3.32Å; H92-Q96 VanDerWaalsContact CD2-OE1 3.22Å; H92-Q96 PolarHBondContact NE2-NE2 3.42Å; H92-Q96 VanDerWaalsContact NE2-NE2 3.11Å; H92-Q96 PolarHBondContact NE2-OE1 3.27Å; H92-Q96 WeakPolarHBondContact O-CB 3.38Å; H92-Q96 WeakPolarHBondContact O-CG 3.38Å; H92-Q96 PolarHBondContact O-N 2.94Å |
| 93 | S | 90.3 | Very high | 86.7 | Confident | 73 Ų | 73 | 84 Ų | 84 | 51% | 0.51 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.6 | -47.6 | 178.1 | 178.4 | 0 | 0 | 0 | 0 | 112.1 | S89 S90 K95 Q96 H97 | S89-S93 VanDerWaalsContact O-CB 3.31Å; S89-S93 WeakPolarHBondContact O-CB 3.4Å; S89-S93 PolarHBondContact O-N 2.86Å; S90-S93 PolarHBondContact O-N 3.09Å; S93-K95 VanDerWaalsContact C-N 3.33Å; S93-K95 PolarHBondContact O-N 3.41Å; S93-Q96 PolarHBondContact O-N 3.25Å; S93-H97 WeakPolarHBondContact O-CB 3.36Å; S93-H97 PolarHBondContact O-N 3.23Å |
| 94 | L | 90.5 | Very high | 86 | Confident | 47 Ų | 47 | 84.7 Ų | 84.7 | 25% | 0.246 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -63.5 | -39.5 | 175.6 | -70.2 | 169.9 | 0 | 0 | 0 | 111.3 | S90 H97 F98 L112 A116 | S90-L94 VanDerWaalsContact O-CB 3.29Å; S90-L94 WeakPolarHBondContact O-CB 3.21Å; S90-L94 WeakPolarHBondContact O-CG 3.35Å; S90-L94 PolarHBondContact O-N 3.39Å; L94-H97 PolarHBondContact O-N 2.88Å; L94-F98 HydrophobicContact CD2-CD2 4.33Å; L94-F98 HydrophobicContact CD2-CE2 3.89Å; L94-F98 VanDerWaalsContact O-CD2 3.3Å; L94-F98 WeakPolarHBondContact O-CD2 3.26Å; L94-F98 PolarHBondContact O-N 3.43Å; L94-L112 HydrophobicContact CB-CD1 3.24Å; L94-L112 HydrophobicContact CD1-CD1 4.38Å; L94-L112 HydrophobicContact CG-CD1 4.44Å; L94-A116 HydrophobicContact CD1-CB 4.36Å |
| 95 | K | 88.8 | Confident | 85.7 | Confident | 81 Ų | 81 | 85.1 Ų | 85.1 | 35% | 0.352 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.2 | -46.8 | 178.3 | -170.3 | -175.8 | 173.3 | -168.6 | 0 | 111.3 | Y91 H92 S93 H97 F99 L112 | Y91-K95 HydrophobicContact CE1-CD 4.3Å; Y91-K95 WeakPolarHBondContact O-CB 3.44Å; Y91-K95 PolarHBondContact O-N 3.07Å; H92-K95 PolarHBondContact O-N 3.09Å; S93-K95 VanDerWaalsContact C-N 3.33Å; S93-K95 PolarHBondContact O-N 3.41Å; K95-H97 VanDerWaalsContact C-N 3.32Å; K95-H97 PolarHBondContact O-N 3.41Å; K95-F99 HydrophobicContact CG-CB 4.49Å; K95-F99 CarbonylContact O-C 3.51Å; K95-F99 WeakPolarHBondContact O-CA 3.41Å; K95-F99 WeakPolarHBondContact O-CB 3.46Å; K95-F99 PolarHBondContact O-N 3.32Å; K95-L112 HydrophobicContact CB-CD1 4.29Å; K95-L112 HydrophobicContact CB-CD2 3.84Å; K95-L112 HydrophobicContact CG-CD2 4.02Å |
| 96 | Q | 88.2 | Confident | 85.3 | Confident | 108 Ų | 108 | 88.3 Ų | 88.3 | 51% | 0.505 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65.3 | -36.7 | 179.2 | -75.3 | -178.4 | -47.9 | 0 | 0 | 111.9 | H92 S93 Q100 | H92-Q96 VanDerWaalsContact CD2-CD 3.45Å; H92-Q96 PolarHBondContact CD2-OE1 3.32Å; H92-Q96 VanDerWaalsContact CD2-OE1 3.22Å; H92-Q96 PolarHBondContact NE2-NE2 3.42Å; H92-Q96 VanDerWaalsContact NE2-NE2 3.11Å; H92-Q96 PolarHBondContact NE2-OE1 3.27Å; H92-Q96 WeakPolarHBondContact O-CB 3.38Å; H92-Q96 WeakPolarHBondContact O-CG 3.38Å; H92-Q96 PolarHBondContact O-N 2.94Å; S93-Q96 PolarHBondContact O-N 3.25Å; Q96-Q100 WeakPolarHBondContact O-CG 3.34Å |
| 97 | H | 88.2 | Confident | 84.8 | Confident | 141 Ų | 141 | 89.8 Ų | 89.8 | 65% | 0.653 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -72.1 | -41.7 | -179.5 | -167.5 | 71.5 | 0 | 0 | 0 | 112.7 | S93 L94 K95 | S93-H97 WeakPolarHBondContact O-CB 3.36Å; S93-H97 PolarHBondContact O-N 3.23Å; L94-H97 PolarHBondContact O-N 2.88Å; K95-H97 VanDerWaalsContact C-N 3.32Å; K95-H97 PolarHBondContact O-N 3.41Å |
| 98 | F | 85.3 | Confident | 84.6 | Confident | 132 Ų | 132 | 90.7 Ų | 90.7 | 58% | 0.579 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -99.8 | -22.1 | -172.7 | -69.5 | -72.7 | 0 | 0 | 0 | 115 | L94 | L94-F98 HydrophobicContact CD2-CD2 4.33Å; L94-F98 HydrophobicContact CD2-CE2 3.89Å; L94-F98 VanDerWaalsContact O-CD2 3.3Å; L94-F98 WeakPolarHBondContact O-CD2 3.26Å; L94-F98 PolarHBondContact O-N 3.43Å |
| 99 | F | 82.1 | Confident | 84.4 | Confident | 41 Ų | 41 | 88.5 Ų | 88.5 | 18% | 0.18 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -139.3 | 29.4 | -166.9 | -57.7 | -74.2 | 0 | 0 | 0 | 113.8 | K95 D101 S102 P104 Q108 | K95-F99 HydrophobicContact CG-CB 4.49Å; K95-F99 CarbonylContact O-C 3.51Å; K95-F99 WeakPolarHBondContact O-CA 3.41Å; K95-F99 WeakPolarHBondContact O-CB 3.46Å; K95-F99 PolarHBondContact O-N 3.32Å; F99-D101 VanDerWaalsContact C-N 3.31Å; F99-D101 PolarHBondContact O-N 3.07Å; F99-S102 PolarHBondContact O-N 2.83Å; F99-P104 HydrophobicContact CD1-CB 4.39Å; F99-P104 HydrophobicContact CG-CB 4.39Å; F99-Q108 HydrophobicContact CE1-CB 4.03Å; F99-Q108 VanDerWaalsContact CE1-CD 3.41Å; F99-Q108 HydrophobicContact CE1-CG 3.91Å; F99-Q108 HydrophobicContact CZ-CB 3.76Å; F99-Q108 HydrophobicContact CZ-CG 3.86Å |
| 100 | Q | 73 | Confident | 84.3 | Confident | 158 Ų | 158 | 87.5 Ų | 87.5 | 74% | 0.738 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -19.9 | -63.4 | -175.1 | -71.7 | -179.6 | -11.5 | 0 | 0 | 114.9 | Q96 | Q96-Q100 WeakPolarHBondContact O-CG 3.34Š|
| 101 | D | 69.7 | Low | 84.2 | Confident | 160 Ų | 160 | 93.6 Ų | 93.6 | 86% | 0.856 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.3 | -0.8 | -179.2 | -66.9 | -51.9 | 0 | 0 | 0 | 115.3 | F99 | F99-D101 VanDerWaalsContact C-N 3.31Å; F99-D101 PolarHBondContact O-N 3.07Å |
| 102 | S | 75.9 | Confident | 84.3 | Confident | 82 Ų | 82 | 90.8 Ų | 90.8 | 57% | 0.573 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -92.7 | 134.2 | -178.5 | -70.2 | 0 | 0 | 0 | 0 | 111.6 | F99 P104 | F99-S102 PolarHBondContact O-N 2.83Å; S102-P104 VanDerWaalsContact O-CD 3.3Å; S102-P104 WeakPolarHBondContact O-CD 3.35Å |
| 103 | R | 75.3 | Confident | 84.3 | Confident | 242 Ų | 242 | 87 Ų | 87 | 91% | 0.913 | 47% | 0.468 | S | S | * | . | trans | -70.5 | 115.7 | 169.3 | -68.1 | -176.8 | -179.2 | 177.7 | 1 | 107.9 | G105 | R103-G105 PolarHBondContact O-N 3.33Š| ||
| 104 | P | 78.1 | Confident | 84.4 | Confident | 30 Ų | 30 | 83.9 Ų | 83.9 | 20% | 0.195 | 45% | 0.448 | C | S | . | . | trans | -63.5 | 135.7 | -177.7 | 25.2 | -32.7 | 0 | 0 | 0 | 109.8 | F99 S102 Q108 A109 | F99-P104 HydrophobicContact CD1-CB 4.39Å; F99-P104 HydrophobicContact CG-CB 4.39Å; S102-P104 VanDerWaalsContact O-CD 3.3Å; S102-P104 WeakPolarHBondContact O-CD 3.35Å; P104-Q108 HydrophobicContact CB-CB 3.77Å; P104-A109 HydrophobicContact CG-CB 4.47Å | ||
| 105 | G | 84.4 | Confident | 84.6 | Confident | 37 Ų | 37 | 83 Ų | 83 | 38% | 0.381 | 45% | 0.45 | S | S | . | . | trans | -62.2 | 169 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | R103 A107 Q108 A109 | R103-G105 PolarHBondContact O-N 3.33Å; G105-A107 VanDerWaalsContact C-N 3.32Å; G105-A107 PolarHBondContact O-N 3.4Å; G105-Q108 PolarHBondContact O-N 3.05Å; G105-Q108 VanDerWaalsContact O-N 3.09Å; G105-A109 WeakPolarHBondContact O-CB 3.46Å; G105-A109 PolarHBondContact O-N 2.93Å | ||
| 106 | A | 82.3 | Confident | 84.8 | Confident | 82 Ų | 82 | 79.1 Ų | 79.1 | 68% | 0.678 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -54.9 | -44.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A109 V110 | A106-A109 PolarHBondContact O-N 3.1Å; A106-V110 WeakPolarHBondContact O-CG2 3.22Å; A106-V110 PolarHBondContact O-N 2.96Å |
| 107 | A | 84.2 | Confident | 85.1 | Confident | 71 Ų | 71 | 77 Ų | 77 | 59% | 0.587 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -65.1 | -43 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | G105 A109 V110 M111 | G105-A107 VanDerWaalsContact C-N 3.32Å; G105-A107 PolarHBondContact O-N 3.4Å; A107-A109 VanDerWaalsContact C-N 3.35Å; A107-A109 PolarHBondContact O-N 3.06Å; A107-V110 PolarHBondContact O-N 3.33Å; A107-M111 WeakPolarHBondContact O-CG 2.9Å; A107-M111 PolarHBondContact O-N 3.07Å |
| 108 | Q | 87.3 | Confident | 85.4 | Confident | 84 Ų | 84 | 72.5 Ų | 72.5 | 39% | 0.393 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.2 | -38.5 | 177.3 | -69.4 | 170.3 | -18.1 | 0 | 0 | 111.5 | F99 P104 G105 M111 L112 | F99-Q108 HydrophobicContact CE1-CB 4.03Å; F99-Q108 VanDerWaalsContact CE1-CD 3.41Å; F99-Q108 HydrophobicContact CE1-CG 3.91Å; F99-Q108 HydrophobicContact CZ-CB 3.76Å; F99-Q108 HydrophobicContact CZ-CG 3.86Å; P104-Q108 HydrophobicContact CB-CB 3.77Å; G105-Q108 PolarHBondContact O-N 3.05Å; G105-Q108 VanDerWaalsContact O-N 3.09Å; Q108-M111 PolarHBondContact O-N 3.25Å; Q108-L112 WeakPolarHBondContact O-CB 3.39Å; Q108-L112 PolarHBondContact O-N 3.44Å |
| 109 | A | 86.6 | Confident | 85.9 | Confident | 36 Ų | 36 | 69.2 Ų | 69.2 | 30% | 0.298 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.9 | -39 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | P104 G105 A106 A107 G113 | P104-A109 HydrophobicContact CG-CB 4.47Å; G105-A109 WeakPolarHBondContact O-CB 3.46Å; G105-A109 PolarHBondContact O-N 2.93Å; A106-A109 PolarHBondContact O-N 3.1Å; A107-A109 VanDerWaalsContact C-N 3.35Å; A107-A109 PolarHBondContact O-N 3.06Å; A109-G113 PolarHBondContact O-N 3.25Å |
| 110 | V | 88.7 | Confident | 86.5 | Confident | 60 Ų | 60 | 67.8 Ų | 67.8 | 36% | 0.364 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65.8 | -44.1 | 173.8 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | A106 A107 G113 G114 | A106-V110 WeakPolarHBondContact O-CG2 3.22Å; A106-V110 PolarHBondContact O-N 2.96Å; A107-V110 PolarHBondContact O-N 3.33Å; V110-G113 PolarHBondContact O-N 3.18Å; V110-G114 PolarHBondContact O-N 3.4Å |
| 111 | M | 89.8 | Confident | 87.5 | Confident | 146 Ų | 146 | 60.9 Ų | 60.9 | 72% | 0.719 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -63.3 | -44.9 | 176.4 | -71.5 | -179.4 | 177.1 | 0 | 0 | 111.9 | A107 Q108 G114 G115 | A107-M111 WeakPolarHBondContact O-CG 2.9Å; A107-M111 PolarHBondContact O-N 3.07Å; Q108-M111 PolarHBondContact O-N 3.25Å; M111-G114 PolarHBondContact O-N 2.85Å; M111-G115 PolarHBondContact O-N 3.02Å |
| 112 | L | 91.4 | Very high | 88.7 | Confident | 9 Ų | 9 | 55.7 Ų | 55.7 | 5% | 0.047 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.1 | -48.8 | 177.3 | 177.8 | 65.2 | 0 | 0 | 0 | 111.4 | Y91 L94 K95 Q108 G115 A116 | Y91-L112 HydrophobicContact CD2-CD2 4.09Å; Y91-L112 HydrophobicContact CD2-CG 3.81Å; Y91-L112 HydrophobicContact CE1-CD2 4.24Å; Y91-L112 HydrophobicContact CE2-CB 4.4Å; Y91-L112 HydrophobicContact CE2-CD2 3.49Å; Y91-L112 VanDerWaalsContact CE2-CD2 3.49Å; Y91-L112 HydrophobicContact CE2-CG 3.58Å; L94-L112 HydrophobicContact CB-CD1 3.24Å; L94-L112 HydrophobicContact CD1-CD1 4.38Å; L94-L112 HydrophobicContact CG-CD1 4.44Å; K95-L112 HydrophobicContact CB-CD1 4.29Å; K95-L112 HydrophobicContact CB-CD2 3.84Å; K95-L112 HydrophobicContact CG-CD2 4.02Å; Q108-L112 WeakPolarHBondContact O-CB 3.39Å; Q108-L112 PolarHBondContact O-N 3.44Å; L112-G115 PolarHBondContact O-N 3.32Å; L112-A116 WeakPolarHBondContact O-CB 3.16Å; L112-A116 PolarHBondContact O-N 2.91Å |
| 113 | G | 90.9 | Very high | 89.7 | Confident | 7 Ų | 7 | 55.6 Ų | 55.6 | 7% | 0.072 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.5 | -41.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A109 V110 A116 R117 | A109-G113 PolarHBondContact O-N 3.25Å; V110-G113 PolarHBondContact O-N 3.18Å; G113-A116 PolarHBondContact O-N 3.38Å; G113-R117 WeakPolarHBondContact O-CB 3.25Å; G113-R117 WeakPolarHBondContact O-CG 3.32Å; G113-R117 PolarHBondContact O-N 3.3Å |
| 114 | G | 92.6 | Very high | 90.6 | Very high | 8 Ų | 8 | 45.1 Ų | 45.1 | 8% | 0.082 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.3 | -42 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | V110 M111 R117 T118 | V110-G114 PolarHBondContact O-N 3.4Å; M111-G114 PolarHBondContact O-N 2.85Å; G114-R117 PolarHBondContact O-N 3.5Å; G114-T118 WeakPolarHBondContact O-CB 3.37Å; G114-T118 PolarHBondContact O-N 3.47Å; G114-T118 PolarHBondContact O-OG1 3.47Å |
| 115 | G | 93.8 | Very high | 91.4 | Very high | 27 Ų | 27 | 43.7 Ų | 43.7 | 28% | 0.278 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.5 | -49.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | M111 L112 R117 T118 V119 | M111-G115 PolarHBondContact O-N 3.02Å; L112-G115 PolarHBondContact O-N 3.32Å; G115-R117 VanDerWaalsContact C-N 3.3Å; G115-R117 PolarHBondContact O-N 2.97Å; G115-T118 WeakPolarHBondContact O-CB 3.18Å; G115-T118 PolarHBondContact O-N 2.9Å; G115-T118 VanDerWaalsContact O-N 3.08Å; G115-V119 PolarHBondContact O-N 3.03Å |
| 116 | A | 93.6 | Very high | 92 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.9 | -39.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y87 Y91 L94 L112 G113 T118 V119 A120 | Y87-A116 HydrophobicContact CD2-CB 3.86Å; Y87-A116 HydrophobicContact CE2-CB 3.83Å; Y91-A116 HydrophobicContact CD2-CB 4.42Å; L94-A116 HydrophobicContact CD1-CB 4.36Å; L112-A116 WeakPolarHBondContact O-CB 3.16Å; L112-A116 PolarHBondContact O-N 2.91Å; G113-A116 PolarHBondContact O-N 3.38Å; A116-T118 VanDerWaalsContact C-N 3.32Å; A116-T118 PolarHBondContact O-N 2.84Å; A116-V119 PolarHBondContact O-N 2.89Å; A116-A120 WeakPolarHBondContact O-CB 3.43Å; A116-A120 PolarHBondContact O-N 3.49Å |
| 117 | R | 93.4 | Very high | 92.6 | Very high | 63 Ų | 63 | 40.1 Ų | 40.1 | 24% | 0.238 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.5 | -34.5 | 174.8 | -72 | -93.5 | -95 | 146.7 | -2.5 | 112.3 | Y87 G113 G114 G115 G121 D171 | Y87-R117 HydrophobicContact CD2-CG 4.04Å; Y87-R117 HydrophobicContact CE2-CG 3.74Å; G113-R117 WeakPolarHBondContact O-CB 3.25Å; G113-R117 WeakPolarHBondContact O-CG 3.32Å; G113-R117 PolarHBondContact O-N 3.3Å; G114-R117 PolarHBondContact O-N 3.5Å; G115-R117 VanDerWaalsContact C-N 3.3Å; G115-R117 PolarHBondContact O-N 2.97Å; R117-G121 WeakPolarHBondContact O-CA 3.44Å; R117-G121 PolarHBondContact O-N 3Å; R117-D171 VanDerWaalsContact CZ-O 3.24Å; R117-D171 PolarHBondContact NE-O 3.41Å; R117-D171 IonicContact NH1-OD1 2.81Å; R117-D171 PolarHBondContact NH2-O 3.19Å |
| 118 | T | 95.7 | Very high | 93.1 | Very high | 47 Ų | 47 | 37.5 Ų | 37.5 | 29% | 0.288 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -66.1 | -49.1 | 176.5 | -59.6 | 0 | 0 | 0 | 0 | 110.5 | G114 G115 A116 G121 V122 L168 V172 | G114-T118 WeakPolarHBondContact O-CB 3.37Å; G114-T118 PolarHBondContact O-N 3.47Å; G114-T118 PolarHBondContact O-OG1 3.47Å; G115-T118 WeakPolarHBondContact O-CB 3.18Å; G115-T118 PolarHBondContact O-N 2.9Å; G115-T118 VanDerWaalsContact O-N 3.08Å; A116-T118 VanDerWaalsContact C-N 3.32Å; A116-T118 PolarHBondContact O-N 2.84Å; T118-G121 PolarHBondContact O-N 2.82Å; T118-V122 HydrophobicContact CG2-CG2 4.48Å; T118-V122 VanDerWaalsContact O-CG2 3.31Å; T118-V122 WeakPolarHBondContact O-CG2 3.48Å; T118-V122 PolarHBondContact O-N 3.49Å; T118-L168 HydrophobicContact CG2-CD1 4.25Å; T118-L168 HydrophobicContact CG2-CD2 3.92Å; T118-V172 WeakPolarHBondContact OG1-CG2 3.34Å |
| 119 | V | 95.8 | Very high | 93.5 | Very high | 63 Ų | 63 | 33.5 Ų | 33.5 | 38% | 0.382 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -59.7 | -51.9 | 177.3 | 178.1 | 0 | 0 | 0 | 0 | 110.8 | I86 S90 G115 A116 G121 V122 V123 | I86-V119 HydrophobicContact CG2-CG1 4.2Å; S90-V119 WeakPolarHBondContact OG-CG1 3.2Å; G115-V119 PolarHBondContact O-N 3.03Å; A116-V119 PolarHBondContact O-N 2.89Å; V119-G121 VanDerWaalsContact C-N 3.28Å; V119-G121 PolarHBondContact O-N 3.21Å; V119-V122 PolarHBondContact O-N 3.44Å; V119-V123 WeakPolarHBondContact O-CG2 3.22Å; V119-V123 PolarHBondContact O-N 3.44Å |
| 120 | A | 94.3 | Very high | 93.9 | Very high | 12 Ų | 12 | 31.8 Ų | 31.8 | 10% | 0.099 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.7 | -40.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I86 A116 M124 | I86-A120 HydrophobicContact CB-CB 4.38Å; I86-A120 HydrophobicContact CG2-CB 3.97Å; A116-A120 WeakPolarHBondContact O-CB 3.43Å; A116-A120 PolarHBondContact O-N 3.49Å; A120-M124 WeakPolarHBondContact O-CB 3.35Å; A120-M124 WeakPolarHBondContact O-CG 3.47Å; A120-M124 PolarHBondContact O-N 3.46Å |
| 121 | G | 93.4 | Very high | 94.2 | Very high | 12 Ų | 12 | 29.8 Ų | 29.8 | 12% | 0.124 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.1 | -42.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | R117 T118 V119 L125 | R117-G121 WeakPolarHBondContact O-CA 3.44Å; R117-G121 PolarHBondContact O-N 3Å; T118-G121 PolarHBondContact O-N 2.82Å; V119-G121 VanDerWaalsContact C-N 3.28Å; V119-G121 PolarHBondContact O-N 3.21Å; G121-L125 WeakPolarHBondContact O-CA 3.31Å; G121-L125 WeakPolarHBondContact O-CB 3.34Å; G121-L125 PolarHBondContact O-N 2.87Å; G121-L125 VanDerWaalsContact O-N 3.07Å |
| 122 | V | 95.8 | Very high | 94.4 | Very high | 52 Ų | 52 | 23.2 Ų | 23.2 | 32% | 0.315 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -66.8 | -49.7 | 177.1 | 171 | 0 | 0 | 0 | 0 | 110.6 | T118 V119 M124 L125 L164 | T118-V122 HydrophobicContact CG2-CG2 4.48Å; T118-V122 VanDerWaalsContact O-CG2 3.31Å; T118-V122 WeakPolarHBondContact O-CG2 3.48Å; T118-V122 PolarHBondContact O-N 3.49Å; V119-V122 PolarHBondContact O-N 3.44Å; V122-M124 VanDerWaalsContact C-N 3.34Å; V122-M124 PolarHBondContact O-N 3.3Å; V122-L125 WeakPolarHBondContact O-CB 3.49Å; V122-L125 PolarHBondContact O-N 3.06Å; V122-L164 HydrophobicContact CG2-CD1 3.77Å; V122-L164 HydrophobicContact CG2-CD2 4.47Å |
| 123 | V | 96 | Very high | 94.5 | Very high | 80 Ų | 80 | 22.8 Ų | 22.8 | 49% | 0.485 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -66 | -38.3 | -177.8 | -178.4 | 0 | 0 | 0 | 0 | 111.5 | I86 V119 L125 | I86-V123 HydrophobicContact CD1-CB 3.94Å; I86-V123 HydrophobicContact CD1-CG1 3.53Å; V119-V123 WeakPolarHBondContact O-CG2 3.22Å; V119-V123 PolarHBondContact O-N 3.44Å; V123-L125 VanDerWaalsContact C-N 3.32Å; V123-L125 PolarHBondContact O-N 3.24Å |
| 124 | M | 95.4 | Very high | 94.6 | Very high | 21 Ų | 21 | 23 Ų | 23 | 10% | 0.103 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 5.3 | 179.2 | -66.9 | -67.1 | 139.6 | 0 | 0 | 113.8 | R79 P82 I86 A120 V122 I127 T128 | R79-M124 HydrophobicContact CG-CB 4.43Å; P82-M124 HydrophobicContact CB-CE 3.43Å; P82-M124 VanDerWaalsContact CB-CE 3.43Å; P82-M124 HydrophobicContact CB-SD 4.19Å; P82-M124 HydrophobicContact CG-CE 4.45Å; I86-M124 HydrophobicContact CD1-CE 3.25Å; I86-M124 HydrophobicContact CG1-CE 4.4Å; A120-M124 WeakPolarHBondContact O-CB 3.35Å; A120-M124 WeakPolarHBondContact O-CG 3.47Å; A120-M124 PolarHBondContact O-N 3.46Å; V122-M124 VanDerWaalsContact C-N 3.34Å; V122-M124 PolarHBondContact O-N 3.3Å; M124-I127 PolarHBondContact O-N 2.98Å; M124-T128 WeakPolarHBondContact O-CB 3.44Å; M124-T128 PolarHBondContact O-N 3.21Å; M124-T128 PolarHBondContact O-OG1 2.81Å |
| 125 | L | 94.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.4 | -44 | -176.7 | -165.7 | 61.7 | 0 | 0 | 0 | 113 | G121 V122 V123 I127 T128 V129 F161 L164 T167 | G121-L125 WeakPolarHBondContact O-CA 3.31Å; G121-L125 WeakPolarHBondContact O-CB 3.34Å; G121-L125 PolarHBondContact O-N 2.87Å; G121-L125 VanDerWaalsContact O-N 3.07Å; V122-L125 WeakPolarHBondContact O-CB 3.49Å; V122-L125 PolarHBondContact O-N 3.06Å; V123-L125 VanDerWaalsContact C-N 3.32Å; V123-L125 PolarHBondContact O-N 3.24Å; L125-I127 VanDerWaalsContact C-N 3.31Å; L125-I127 PolarHBondContact O-N 3.26Å; L125-T128 CarbonylContact O-C 3.59Å; L125-T128 WeakPolarHBondContact O-CA 3.41Å; L125-T128 VanDerWaalsContact O-CB 3.29Å; L125-T128 WeakPolarHBondContact O-CB 3.44Å; L125-T128 PolarHBondContact O-N 3.33Å; L125-V129 PolarHBondContact O-N 3.49Å; L125-F161 HydrophobicContact CB-CD1 4.22Å; L125-F161 HydrophobicContact CB-CE1 4.48Å; L125-F161 HydrophobicContact CD2-CB 4.04Å; L125-F161 HydrophobicContact CD2-CD1 3.93Å; L125-F161 HydrophobicContact CD2-CG 4.37Å; L125-L164 HydrophobicContact CD2-CB 3.47Å; L125-L164 VanDerWaalsContact CD2-CB 3.47Å; L125-L164 HydrophobicContact CD2-CD1 3.67Å; L125-L164 HydrophobicContact CD2-CG 4.07Å; L125-T167 HydrophobicContact CD1-CG2 4.19Å |
| 126 | P | 95.5 | Very high | 94.5 | Very high | 22 Ų | 22 | 21.6 Ų | 21.6 | 14% | 0.143 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -54.7 | -46.1 | 176.7 | -29.2 | 37.8 | 0 | 0 | 0 | 112.9 | T128 V129 I130 L148 L160 F161 | P126-T128 VanDerWaalsContact C-N 3.29Å; P126-T128 PolarHBondContact O-N 3.02Å; P126-V129 PolarHBondContact O-N 3.4Å; P126-I130 WeakPolarHBondContact O-CG1 2.8Å; P126-I130 PolarHBondContact O-N 2.95Å; P126-L148 HydrophobicContact CB-CD2 4.04Å; P126-L160 HydrophobicContact CB-CB 4Å; P126-L160 HydrophobicContact CB-CD1 4.23Å; P126-L160 HydrophobicContact CB-CD2 4.38Å; P126-L160 HydrophobicContact CB-CG 4.45Å; P126-L160 HydrophobicContact CG-CB 4.2Å; P126-F161 HydrophobicContact CG-CE1 4.27Å; P126-F161 HydrophobicContact CG-CE2 4.12Å; P126-F161 HydrophobicContact CG-CZ 3.82Å |
| 127 | I | 95.9 | Very high | 94 | Very high | 23 Ų | 23 | 22.6 Ų | 22.6 | 12% | 0.118 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -68.5 | -33.1 | 178.7 | -48.9 | -57.2 | 0 | 0 | 0 | 111 | P75 V78 R79 M124 L125 I130 K131 V144 L148 | P75-I127 HydrophobicContact CB-CG2 4.41Å; P75-I127 WeakPolarHBondContact O-CG2 3.41Å; V78-I127 HydrophobicContact CB-CG2 4.11Å; V78-I127 HydrophobicContact CG1-CD1 3.98Å; V78-I127 HydrophobicContact CG1-CG1 4.2Å; V78-I127 HydrophobicContact CG1-CG2 3.95Å; R79-I127 HydrophobicContact CB-CB 4.37Å; R79-I127 HydrophobicContact CB-CG2 3.73Å; R79-I127 HydrophobicContact CG-CG2 4.47Å; M124-I127 PolarHBondContact O-N 2.98Å; L125-I127 VanDerWaalsContact C-N 3.31Å; L125-I127 PolarHBondContact O-N 3.26Å; I127-I130 PolarHBondContact O-N 3.08Å; I127-K131 WeakPolarHBondContact O-CB 3.27Å; I127-K131 PolarHBondContact O-N 2.93Å; I127-V144 HydrophobicContact CD1-CG1 4.34Å; I127-L148 HydrophobicContact CD1-CD1 3.91Å; I127-L148 HydrophobicContact CD1-CD2 4.46Å |
| 128 | T | 94.9 | Very high | 93.6 | Very high | 15 Ų | 15 | 26 Ų | 26 | 9% | 0.092 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.7 | -43.5 | 175.2 | -59.6 | 0 | 0 | 0 | 0 | 111.6 | R79 M124 L125 P126 K131 T132 K225 | R79-T128 WeakPolarHBondContact CD-OG1 3.46Å; M124-T128 WeakPolarHBondContact O-CB 3.44Å; M124-T128 PolarHBondContact O-N 3.21Å; M124-T128 PolarHBondContact O-OG1 2.81Å; L125-T128 CarbonylContact O-C 3.59Å; L125-T128 WeakPolarHBondContact O-CA 3.41Å; L125-T128 VanDerWaalsContact O-CB 3.29Å; L125-T128 WeakPolarHBondContact O-CB 3.44Å; L125-T128 PolarHBondContact O-N 3.33Å; P126-T128 VanDerWaalsContact C-N 3.29Å; P126-T128 PolarHBondContact O-N 3.02Å; T128-K131 PolarHBondContact O-N 3.33Å; T128-T132 WeakPolarHBondContact O-CG2 3.02Å; T128-T132 PolarHBondContact O-N 3.43Å; T128-T132 PolarHBondContact O-OG1 3.15Å; T128-K225 VanDerWaalsContact CG2-NZ 3.29Å |
| 129 | V | 94.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.9 | -49.7 | 173.9 | 173.7 | 0 | 0 | 0 | 0 | 110 | L125 P126 K131 T132 R133 L160 Q229 | L125-V129 PolarHBondContact O-N 3.49Å; P126-V129 PolarHBondContact O-N 3.4Å; V129-K131 VanDerWaalsContact C-N 3.35Å; V129-K131 PolarHBondContact O-N 3.31Å; V129-T132 PolarHBondContact O-N 3.5Å; V129-T132 VanDerWaalsContact O-N 3.17Å; V129-T132 PolarHBondContact O-OG1 2.93Å; V129-R133 WeakPolarHBondContact O-CG 3.13Å; V129-R133 PolarHBondContact O-N 3.44Å; V129-L160 VanDerWaalsContact CG2-O 3.26Å; V129-L160 WeakPolarHBondContact CG2-O 3.23Å; V129-Q229 HydrophobicContact CG2-CB 4.37Å; V129-Q229 HydrophobicContact CG2-CG 3.99Å |
| 130 | I | 95.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.5 | -44 | 178.1 | -62 | -50.7 | 0 | 0 | 0 | 111.6 | P75 P126 I127 T132 R133 F134 V144 A147 L148 V151 L160 | P75-I130 HydrophobicContact CB-CG2 4.25Å; P126-I130 WeakPolarHBondContact O-CG1 2.8Å; P126-I130 PolarHBondContact O-N 2.95Å; I127-I130 PolarHBondContact O-N 3.08Å; I130-T132 PolarHBondContact O-N 3.2Å; I130-R133 PolarHBondContact O-N 2.91Å; I130-F134 HydrophobicContact CG2-CD2 3.58Å; I130-F134 HydrophobicContact CG2-CE2 3.5Å; I130-F134 VanDerWaalsContact O-CD2 3.31Å; I130-F134 WeakPolarHBondContact O-CD2 3.43Å; I130-F134 PolarHBondContact O-N 3.08Å; I130-V144 HydrophobicContact CG2-CG1 4.29Å; I130-A147 HydrophobicContact CD1-CB 3.95Å; I130-A147 HydrophobicContact CG1-CB 4.46Å; I130-A147 HydrophobicContact CG2-CB 3.77Å; I130-L148 HydrophobicContact CD1-CD2 4.35Å; I130-L148 HydrophobicContact CG1-CD2 3.7Å; I130-L148 HydrophobicContact CG1-CG 4.01Å; I130-V151 HydrophobicContact CD1-CG2 3.89Å; I130-L160 HydrophobicContact CD1-CD2 4.05Å; I130-L160 HydrophobicContact CG1-CD2 4.36Å |
| 131 | K | 94.8 | Very high | 92.4 | Very high | 18 Ų | 18 | 30.2 Ų | 30.2 | 8% | 0.078 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -52.9 | -52.4 | 174.2 | 179.5 | -175.6 | -172.5 | -84 | 0 | 111.3 | D31 P75 S76 I127 T128 V129 R133 F134 E135 | D31-K131 IonicContact OD2-NZ 3.32Å; D31-K131 PolarHBondContact OD2-NZ 3.14Å; P75-K131 HydrophobicContact CB-CB 4.03Å; P75-K131 HydrophobicContact CG-CB 4.25Å; S76-K131 WeakPolarHBondContact OG-CE 3.47Å; I127-K131 WeakPolarHBondContact O-CB 3.27Å; I127-K131 PolarHBondContact O-N 2.93Å; T128-K131 PolarHBondContact O-N 3.33Å; V129-K131 VanDerWaalsContact C-N 3.35Å; V129-K131 PolarHBondContact O-N 3.31Å; K131-R133 VanDerWaalsContact C-N 3.29Å; K131-R133 PolarHBondContact O-N 3.2Å; K131-F134 PolarHBondContact O-N 3.37Å; K131-E135 WeakPolarHBondContact CE-OE1 3.36Å; K131-E135 WeakPolarHBondContact CG-OE1 3.49Å; K131-E135 IonicContact NZ-OE1 3.81Å; K131-E135 PolarHBondContact NZ-OE1 3.16Å; K131-E135 IonicContact NZ-OE2 3.82Å; K131-E135 PolarHBondContact NZ-OE2 3.02Å; K131-E135 WeakPolarHBondContact O-CG 3.38Å; K131-E135 PolarHBondContact O-N 3.45Å |
| 132 | T | 94.2 | Very high | 92 | Very high | 8 Ų | 8 | 36.7 Ų | 36.7 | 5% | 0.049 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.4 | -35.5 | -178.8 | 58.5 | 0 | 0 | 0 | 0 | 112.9 | T128 V129 I130 E135 C136 Q229 | T128-T132 WeakPolarHBondContact O-CG2 3.02Å; T128-T132 PolarHBondContact O-N 3.43Å; T128-T132 PolarHBondContact O-OG1 3.15Å; V129-T132 PolarHBondContact O-N 3.5Å; V129-T132 VanDerWaalsContact O-N 3.17Å; V129-T132 PolarHBondContact O-OG1 2.93Å; I130-T132 PolarHBondContact O-N 3.2Å; T132-E135 PolarHBondContact O-N 2.84Å; T132-C136 WeakPolarHBondContact O-CB 3.4Å; T132-C136 PolarHBondContact O-N 3.06Å; T132-Q229 WeakPolarHBondContact OG1-CB 3.43Å |
| 133 | R | 93.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -71.4 | -37.7 | 176.9 | -68 | -173.1 | -178.5 | -160.5 | 4.1 | 113.2 | V129 I130 K131 E135 C136 G137 Y139 Y141 E155 Q229 | V129-R133 WeakPolarHBondContact O-CG 3.13Å; V129-R133 PolarHBondContact O-N 3.44Å; I130-R133 PolarHBondContact O-N 2.91Å; K131-R133 VanDerWaalsContact C-N 3.29Å; K131-R133 PolarHBondContact O-N 3.2Å; R133-E135 VanDerWaalsContact C-N 3.34Å; R133-C136 PolarHBondContact O-SG 3.35Å; R133-G137 PolarHBondContact O-N 3.02Å; R133-Y139 HydrophobicContact CB-CD2 3.87Å; R133-Y139 HydrophobicContact CB-CE2 4.4Å; R133-Y139 HydrophobicContact CG-CD2 4.04Å; R133-Y139 HydrophobicContact CG-CE2 4.06Å; R133-Y141 HydrophobicContact CB-CE2 3.96Å; R133-E155 IonicContact CZ-OE1 3.74Å; R133-E155 IonicContact CZ-OE2 2.71Å; R133-E155 VanDerWaalsContact CZ-OE2 3.28Å; R133-E155 VanDerWaalsContact NH1-CD 3.25Å; R133-E155 IonicContact NH1-OE1 2.79Å; R133-E155 PolarHBondContact NH1-OE1 3.12Å; R133-E155 IonicContact NH1-OE2 3.53Å; R133-E155 PolarHBondContact NH1-OE2 3.02Å; R133-E155 IonicContact NH2-OE1 2.72Å; R133-E155 IonicContact NH2-OE2 3.72Å; R133-E155 PolarHBondContact NH2-OE2 3.23Å; R133-Q229 PolarHBondContact NE-O 3.44Å |
| 134 | F | 93.3 | Very high | 91.7 | Very high | 12 Ų | 12 | 33.5 Ų | 33.5 | 5% | 0.053 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.1 | -45.6 | 171 | -92.1 | -104.8 | 0 | 0 | 0 | 111 | P75 I130 K131 G137 Y141 A147 | P75-F134 HydrophobicContact CG-CB 4.16Å; P75-F134 HydrophobicContact CG-CD1 4.49Å; P75-F134 HydrophobicContact CG-CD2 4.16Å; P75-F134 HydrophobicContact CG-CG 4.03Å; I130-F134 HydrophobicContact CG2-CD2 3.58Å; I130-F134 HydrophobicContact CG2-CE2 3.5Å; I130-F134 VanDerWaalsContact O-CD2 3.31Å; I130-F134 WeakPolarHBondContact O-CD2 3.43Å; I130-F134 PolarHBondContact O-N 3.08Å; K131-F134 PolarHBondContact O-N 3.37Å; F134-G137 PolarHBondContact O-N 3.06Å; F134-Y141 AromaticContact CD2-CD2 3.91Å; F134-Y141 HydrophobicContact CD2-CD2 3.91Å; F134-Y141 WeakPolarHBondContact CE1-O 3.34Å; F134-Y141 VanDerWaalsContact CE2-CB 3.42Å; F134-Y141 AromaticContact CE2-CD2 3.79Å; F134-Y141 HydrophobicContact CE2-CD2 3.79Å; F134-Y141 AromaticContact CE2-CG 3.98Å; F134-Y141 HydrophobicContact CE2-CG 3.98Å; F134-Y141 HydrophobicContact CZ-CG 4.36Å; F134-A147 HydrophobicContact CE2-CB 3.75Å; F134-A147 HydrophobicContact CZ-CB 4.46Å |
| 135 | E | 92.7 | Very high | 91.6 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.009 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -71.1 | -30 | -178.1 | -74 | 173.3 | 179.5 | 0 | 0 | 113.4 | Q28 T35 R36 K131 T132 R133 G137 | Q28-E135 PolarHBondContact NE2-OE1 3.5Å; T35-E135 HydrophobicContact CG2-CB 3.71Å; T35-E135 PolarHBondContact OG1-OE2 2.93Å; R36-E135 WeakPolarHBondContact CD-O 3.18Å; R36-E135 WeakPolarHBondContact CG-O 3.31Å; R36-E135 PolarHBondContact NE-O 3.4Å; K131-E135 WeakPolarHBondContact CE-OE1 3.36Å; K131-E135 WeakPolarHBondContact CG-OE1 3.49Å; K131-E135 IonicContact NZ-OE1 3.81Å; K131-E135 PolarHBondContact NZ-OE1 3.16Å; K131-E135 IonicContact NZ-OE2 3.82Å; K131-E135 PolarHBondContact NZ-OE2 3.02Å; K131-E135 WeakPolarHBondContact O-CG 3.38Å; K131-E135 PolarHBondContact O-N 3.45Å; T132-E135 PolarHBondContact O-N 2.84Å; R133-E135 VanDerWaalsContact C-N 3.34Å; E135-G137 VanDerWaalsContact C-N 3.29Å |
| 136 | C | 90.3 | Very high | 91.5 | Very high | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.02 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -74.5 | -21.1 | 176.6 | 84.1 | 0 | 0 | 0 | 0 | 113.3 | T35 R36 T39 T132 R133 R138 V230 | T35-C136 HydrophobicContact CG2-CB 4.17Å; R36-C136 VanDerWaalsContact CD-O 3.28Å; R36-C136 WeakPolarHBondContact CD-O 3.2Å; R36-C136 PolarHBondContact NE-O 3.16Å; R36-C136 VanDerWaalsContact NE-O 3.15Å; R36-C136 VanDerWaalsContact NH1-C 3.34Å; R36-C136 PolarHBondContact NH1-O 3.49Å; T39-C136 HydrophobicContact CG2-CB 3.8Å; T132-C136 WeakPolarHBondContact O-CB 3.4Å; T132-C136 PolarHBondContact O-N 3.06Å; R133-C136 PolarHBondContact O-SG 3.35Å; C136-R138 PolarHBondContact O-N 3.05Å; C136-R138 PolarHBondContact SG-N 3.27Å; C136-V230 HydrophobicContact CB-CG1 4.27Å; C136-V230 HydrophobicContact CB-CG2 3.81Å |
| 137 | G | 84 | Confident | 91.4 | Very high | 22 Ų | 22 | 37.1 Ų | 37.1 | 23% | 0.227 | 22% | 0.22 | C | C | . | . | trans | 50.8 | 22.6 | 180 | 0 | 0 | 0 | 0 | 0 | 117.3 | R133 F134 E135 | R133-G137 PolarHBondContact O-N 3.02Å; F134-G137 PolarHBondContact O-N 3.06Å; E135-G137 VanDerWaalsContact C-N 3.29Å | ||
| 138 | R | 86.3 | Confident | 91.3 | Very high | 134 Ų | 134 | 38.1 Ų | 38.1 | 51% | 0.506 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -74.1 | -19.7 | 163.2 | -64.6 | 177.8 | 69 | -175.6 | -0.1 | 112.2 | C136 N231 | C136-R138 PolarHBondContact O-N 3.05Å; C136-R138 PolarHBondContact SG-N 3.27Å; R138-N231 PolarHBondContact NH1-OD1 3.4Å |
| 139 | Y | 86.3 | Confident | 91.3 | Very high | 56 Ų | 56 | 45.3 Ų | 45.3 | 22% | 0.22 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -112.7 | 136.8 | -179.4 | -58.5 | -86.7 | 0 | 0 | 0 | 110.2 | R133 Y141 V230 | R133-Y139 HydrophobicContact CB-CD2 3.87Å; R133-Y139 HydrophobicContact CB-CE2 4.4Å; R133-Y139 HydrophobicContact CG-CD2 4.04Å; R133-Y139 HydrophobicContact CG-CE2 4.06Å; Y139-Y141 HydrophobicContact CD1-CE2 4.27Å; Y139-Y141 AromaticContact CD1-CZ 3.95Å; Y139-Y141 WeakPolarHBondContact CD1-OH 3.25Å; Y139-Y141 HydrophobicContact CD2-CE2 4.48Å; Y139-Y141 AromaticContact CG-CE2 3.79Å; Y139-Y141 HydrophobicContact CG-CE2 3.79Å; Y139-Y141 AromaticContact CG-CZ 3.97Å; Y139-V230 HydrophobicContact CE2-CG1 4.36Å; Y139-V230 PolarHBondContact OH-O 3.5Å |
| 140 | S | 84.9 | Confident | 91.3 | Very high | 119 Ų | 119 | 47.8 Ų | 47.8 | 83% | 0.832 | 27% | 0.268 | S | S | * | . | trans | -101 | 92.1 | 174.2 | -165.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 141 | Y | 87.6 | Confident | 91.2 | Very high | 36 Ų | 36 | 47.8 Ų | 47.8 | 14% | 0.141 | 27% | 0.268 | C | S | . | . | trans | -108.2 | 133.2 | 176.7 | -63.3 | -54.5 | 0 | 0 | 0 | 110.3 | R133 F134 Y139 A147 | R133-Y141 HydrophobicContact CB-CE2 3.96Å; F134-Y141 AromaticContact CD2-CD2 3.91Å; F134-Y141 HydrophobicContact CD2-CD2 3.91Å; F134-Y141 WeakPolarHBondContact CE1-O 3.34Å; F134-Y141 VanDerWaalsContact CE2-CB 3.42Å; F134-Y141 AromaticContact CE2-CD2 3.79Å; F134-Y141 HydrophobicContact CE2-CD2 3.79Å; F134-Y141 AromaticContact CE2-CG 3.98Å; F134-Y141 HydrophobicContact CE2-CG 3.98Å; F134-Y141 HydrophobicContact CZ-CG 4.36Å; Y139-Y141 HydrophobicContact CD1-CE2 4.27Å; Y139-Y141 AromaticContact CD1-CZ 3.95Å; Y139-Y141 WeakPolarHBondContact CD1-OH 3.25Å; Y139-Y141 HydrophobicContact CD2-CE2 4.48Å; Y139-Y141 AromaticContact CG-CE2 3.79Å; Y139-Y141 HydrophobicContact CG-CE2 3.79Å; Y139-Y141 AromaticContact CG-CZ 3.97Å; Y141-A147 HydrophobicContact CD1-CB 3.71Å; Y141-A147 HydrophobicContact CD2-CB 3.82Å; Y141-A147 HydrophobicContact CE1-CB 4.16Å; Y141-A147 HydrophobicContact CE2-CB 4.24Å; Y141-A147 HydrophobicContact CG-CB 3.54Å | ||
| 142 | V | 85.3 | Confident | 91.1 | Very high | 147 Ų | 147 | 49.4 Ų | 49.4 | 89% | 0.891 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -84.4 | -39.6 | 179.2 | -177.1 | 0 | 0 | 0 | 0 | 111.4 | ||
| 143 | S | 92.6 | Very high | 91 | Very high | 48 Ų | 48 | 58.8 Ų | 58.8 | 34% | 0.336 | 32% | 0.316 | S | S | . | . | trans | -139.4 | 156.5 | -176.3 | 69.4 | 0 | 0 | 0 | 0 | 112.1 | S145 G146 A147 | S143-S145 PolarHBondContact OG-OG 3.34Å; S143-G146 PolarHBondContact O-N 2.68Å; S143-G146 PolarHBondContact OG-N 3.04Å; S143-A147 WeakPolarHBondContact O-CB 3.45Å; S143-A147 PolarHBondContact O-N 3.05Å | ||
| 144 | V | 93.3 | Very high | 90.9 | Very high | 17 Ų | 17 | 62.8 Ų | 62.8 | 10% | 0.103 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.8 | -42.6 | 178.4 | -179.2 | 0 | 0 | 0 | 0 | 110.9 | P75 I127 I130 A147 L148 | P75-V144 HydrophobicContact CB-CG2 3.95Å; P75-V144 HydrophobicContact CG-CG2 4.4Å; I127-V144 HydrophobicContact CD1-CG1 4.34Å; I130-V144 HydrophobicContact CG2-CG1 4.29Å; V144-A147 PolarHBondContact O-N 2.86Å; V144-L148 HydrophobicContact CG1-CD1 4.33Å; V144-L148 WeakPolarHBondContact O-CG 3.29Å; V144-L148 PolarHBondContact O-N 3.39Å |
| 145 | S | 93.5 | Very high | 90.8 | Very high | 85 Ų | 85 | 64.8 Ų | 64.8 | 59% | 0.594 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -66.6 | -40.1 | 177 | 55.2 | 0 | 0 | 0 | 0 | 112.2 | S143 L148 R149 | S143-S145 PolarHBondContact OG-OG 3.34Å; S145-L148 PolarHBondContact O-N 2.9Å; S145-R149 WeakPolarHBondContact O-CB 3.39Å; S145-R149 PolarHBondContact O-N 3.48Å |
| 146 | G | 93.3 | Very high | 90.7 | Very high | 33 Ų | 33 | 65.6 Ų | 65.6 | 34% | 0.34 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.7 | -42.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S143 R149 S150 | S143-G146 PolarHBondContact O-N 2.68Å; S143-G146 PolarHBondContact OG-N 3.04Å; G146-R149 PolarHBondContact O-N 3.25Å; G146-S150 VanDerWaalsContact O-CB 3.24Å; G146-S150 WeakPolarHBondContact O-CB 3.37Å; G146-S150 PolarHBondContact O-N 2.88Å |
| 147 | A | 93.1 | Very high | 90.7 | Very high | 1 Ų | 1 | 69.6 Ų | 69.6 | 1% | 0.008 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.4 | -46.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | I130 F134 Y141 S143 V144 R149 S150 V151 | I130-A147 HydrophobicContact CD1-CB 3.95Å; I130-A147 HydrophobicContact CG1-CB 4.46Å; I130-A147 HydrophobicContact CG2-CB 3.77Å; F134-A147 HydrophobicContact CE2-CB 3.75Å; F134-A147 HydrophobicContact CZ-CB 4.46Å; Y141-A147 HydrophobicContact CD1-CB 3.71Å; Y141-A147 HydrophobicContact CD2-CB 3.82Å; Y141-A147 HydrophobicContact CE1-CB 4.16Å; Y141-A147 HydrophobicContact CE2-CB 4.24Å; Y141-A147 HydrophobicContact CG-CB 3.54Å; S143-A147 WeakPolarHBondContact O-CB 3.45Å; S143-A147 PolarHBondContact O-N 3.05Å; V144-A147 PolarHBondContact O-N 2.86Å; A147-R149 PolarHBondContact O-N 3.13Å; A147-S150 PolarHBondContact O-N 3.32Å; A147-V151 WeakPolarHBondContact O-CG2 3.46Å; A147-V151 PolarHBondContact O-N 3.33Å |
| 148 | L | 94.4 | Very high | 91 | Very high | 44 Ų | 44 | 73.9 Ų | 73.9 | 23% | 0.23 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -56.8 | -48.8 | 174.7 | -76 | 168.8 | 0 | 0 | 0 | 111.4 | P126 I127 I130 V144 S145 S150 V151 C152 L160 | P126-L148 HydrophobicContact CB-CD2 4.04Å; I127-L148 HydrophobicContact CD1-CD1 3.91Å; I127-L148 HydrophobicContact CD1-CD2 4.46Å; I130-L148 HydrophobicContact CD1-CD2 4.35Å; I130-L148 HydrophobicContact CG1-CD2 3.7Å; I130-L148 HydrophobicContact CG1-CG 4.01Å; V144-L148 HydrophobicContact CG1-CD1 4.33Å; V144-L148 WeakPolarHBondContact O-CG 3.29Å; V144-L148 PolarHBondContact O-N 3.39Å; S145-L148 PolarHBondContact O-N 2.9Å; L148-S150 VanDerWaalsContact C-N 3.34Å; L148-S150 PolarHBondContact O-N 3.48Å; L148-V151 PolarHBondContact O-N 2.94Å; L148-C152 WeakPolarHBondContact O-CB 3.42Å; L148-C152 PolarHBondContact O-N 3.23Å; L148-C152 PolarHBondContact O-SG 3.47Å; L148-C152 VanDerWaalsContact O-SG 3.38Å; L148-L160 HydrophobicContact CD2-CD1 3.99Å; L148-L160 HydrophobicContact CD2-CD2 3.82Å |
| 149 | R | 94.8 | Very high | 91.2 | Very high | 166 Ų | 166 | 67.9 Ų | 67.9 | 63% | 0.626 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -62.1 | -42.2 | 178.3 | -175.9 | -176.7 | -69.1 | 174.6 | -2.3 | 111.7 | S145 G146 A147 R153 | S145-R149 WeakPolarHBondContact O-CB 3.39Å; S145-R149 PolarHBondContact O-N 3.48Å; G146-R149 PolarHBondContact O-N 3.25Å; A147-R149 PolarHBondContact O-N 3.13Å; R149-R153 WeakPolarHBondContact O-CB 3.4Å; R149-R153 WeakPolarHBondContact O-CG 3.3Å; R149-R153 PolarHBondContact O-N 2.88Å; R149-R153 VanDerWaalsContact O-N 3.08Å |
| 150 | S | 93.6 | Very high | 91.5 | Very high | 52 Ų | 52 | 65.8 Ų | 65.8 | 36% | 0.364 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.8 | -52.6 | 178.3 | 175 | 0 | 0 | 0 | 0 | 110.5 | G146 A147 L148 C152 R153 S154 | G146-S150 VanDerWaalsContact O-CB 3.24Å; G146-S150 WeakPolarHBondContact O-CB 3.37Å; G146-S150 PolarHBondContact O-N 2.88Å; A147-S150 PolarHBondContact O-N 3.32Å; L148-S150 VanDerWaalsContact C-N 3.34Å; L148-S150 PolarHBondContact O-N 3.48Å; S150-C152 PolarHBondContact O-N 2.85Å; S150-R153 PolarHBondContact O-N 3.26Å; S150-R153 VanDerWaalsContact O-N 3.16Å; S150-S154 WeakPolarHBondContact O-CB 3.33Å; S150-S154 PolarHBondContact O-N 3.16Å; S150-S154 PolarHBondContact O-OG 2.93Å |
| 151 | V | 92.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60.9 | -46.2 | -179.9 | 176.2 | 0 | 0 | 0 | 0 | 111.3 | I130 A147 L148 R153 S154 E155 G156 A159 L160 | I130-V151 HydrophobicContact CD1-CG2 3.89Å; A147-V151 WeakPolarHBondContact O-CG2 3.46Å; A147-V151 PolarHBondContact O-N 3.33Å; L148-V151 PolarHBondContact O-N 2.94Å; V151-R153 VanDerWaalsContact C-N 3.25Å; V151-R153 PolarHBondContact O-N 2.9Å; V151-S154 PolarHBondContact O-N 3.3Å; V151-E155 HydrophobicContact CG1-CB 4.39Å; V151-E155 PolarHBondContact O-N 3.45Å; V151-G156 PolarHBondContact O-N 2.92Å; V151-A159 HydrophobicContact CG1-CB 3.97Å; V151-L160 HydrophobicContact CB-CD2 4.08Å; V151-L160 HydrophobicContact CG1-CD2 3.74Å; V151-L160 HydrophobicContact CG1-CG 4.04Å |
| 152 | C | 93.4 | Very high | 92 | Very high | 52 Ų | 52 | 63.7 Ų | 63.7 | 35% | 0.351 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -58.7 | -36.3 | 177.3 | -75.3 | 0 | 0 | 0 | 0 | 113.1 | L148 S150 G156 L160 | L148-C152 WeakPolarHBondContact O-CB 3.42Å; L148-C152 PolarHBondContact O-N 3.23Å; L148-C152 PolarHBondContact O-SG 3.47Å; L148-C152 VanDerWaalsContact O-SG 3.38Å; S150-C152 PolarHBondContact O-N 2.85Å; C152-G156 VanDerWaalsContact O-CA 3.32Å; C152-G156 WeakPolarHBondContact O-CA 3.16Å; C152-G156 PolarHBondContact O-N 3.38Å; C152-L160 WeakPolarHBondContact SG-CD1 3.44Å |
| 153 | R | 93.2 | Very high | 92.2 | Very high | 206 Ų | 206 | 57 Ų | 57 | 78% | 0.777 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -81.8 | -38.5 | -179.1 | -75.4 | -175.2 | 174.1 | -177.3 | -3.5 | 113.3 | R149 S150 V151 | R149-R153 WeakPolarHBondContact O-CB 3.4Å; R149-R153 WeakPolarHBondContact O-CG 3.3Å; R149-R153 PolarHBondContact O-N 2.88Å; R149-R153 VanDerWaalsContact O-N 3.08Å; S150-R153 PolarHBondContact O-N 3.26Å; S150-R153 VanDerWaalsContact O-N 3.16Å; V151-R153 VanDerWaalsContact C-N 3.25Å; V151-R153 PolarHBondContact O-N 2.9Å |
| 154 | S | 91.2 | Very high | 92.3 | Very high | 83 Ų | 83 | 57.1 Ų | 57.1 | 58% | 0.58 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -90.2 | -33.7 | -174.2 | 60.2 | 0 | 0 | 0 | 0 | 113.8 | S150 V151 | S150-S154 WeakPolarHBondContact O-CB 3.33Å; S150-S154 PolarHBondContact O-N 3.16Å; S150-S154 PolarHBondContact O-OG 2.93Å; V151-S154 PolarHBondContact O-N 3.3Å |
| 155 | E | 90.6 | Very high | 92.2 | Very high | 55 Ų | 55 | 62.5 Ų | 62.5 | 26% | 0.257 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.1 | -10.5 | -172.7 | -62.1 | 166.7 | -143.8 | 0 | 0 | 112.8 | R133 V151 A159 P232 | R133-E155 IonicContact CZ-OE1 3.74Å; R133-E155 IonicContact CZ-OE2 2.71Å; R133-E155 VanDerWaalsContact CZ-OE2 3.28Å; R133-E155 VanDerWaalsContact NH1-CD 3.25Å; R133-E155 IonicContact NH1-OE1 2.79Å; R133-E155 PolarHBondContact NH1-OE1 3.12Å; R133-E155 IonicContact NH1-OE2 3.53Å; R133-E155 PolarHBondContact NH1-OE2 3.02Å; R133-E155 IonicContact NH2-OE1 2.72Å; R133-E155 IonicContact NH2-OE2 3.72Å; R133-E155 PolarHBondContact NH2-OE2 3.23Å; V151-E155 HydrophobicContact CG1-CB 4.39Å; V151-E155 PolarHBondContact O-N 3.45Å; E155-A159 HydrophobicContact CB-CB 3.69Å; E155-P232 HydrophobicContact CG-CG 4.23Å; E155-P232 WeakPolarHBondContact OE2-CB 3.43Å; E155-P232 WeakPolarHBondContact OE2-CG 3.42Å |
| 156 | G | 90.8 | Very high | 92.2 | Very high | 19 Ų | 19 | 58.6 Ų | 58.6 | 20% | 0.196 | 32% | 0.316 | C | S | . | . | trans | 88.9 | 161.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | V151 C152 T158 A159 | V151-G156 PolarHBondContact O-N 2.92Å; C152-G156 VanDerWaalsContact O-CA 3.32Å; C152-G156 WeakPolarHBondContact O-CA 3.16Å; C152-G156 PolarHBondContact O-N 3.38Å; G156-T158 VanDerWaalsContact C-N 3.28Å; G156-T158 PolarHBondContact O-N 3.49Å; G156-A159 WeakPolarHBondContact O-CB 3.28Å; G156-A159 PolarHBondContact O-N 3.41Å | ||
| 157 | P | 89.9 | Confident | 92.2 | Very high | 86 Ų | 86 | 57.1 Ų | 57.1 | 56% | 0.558 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -67.9 | -26.4 | -176.5 | 26.9 | -34.8 | 0 | 0 | 0 | 113.3 | A159 L160 | P157-A159 PolarHBondContact O-N 3.37Å; P157-L160 WeakPolarHBondContact O-CB 3.46Å; P157-L160 PolarHBondContact O-N 3.46Å |
| 158 | T | 89.8 | Confident | 92.3 | Very high | 113 Ų | 113 | 59 Ų | 59 | 69% | 0.693 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -66 | -26.4 | 177.7 | 49.9 | 0 | 0 | 0 | 0 | 112.5 | G156 L160 F161 | G156-T158 VanDerWaalsContact C-N 3.28Å; G156-T158 PolarHBondContact O-N 3.49Å; T158-L160 PolarHBondContact O-N 2.87Å; T158-F161 PolarHBondContact O-N 3.16Å |
| 159 | A | 90.4 | Very high | 92.3 | Very high | 8 Ų | 8 | 61.7 Ų | 61.7 | 7% | 0.066 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -61.8 | -28 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | V151 E155 G156 P157 F161 S162 P232 | V151-A159 HydrophobicContact CG1-CB 3.97Å; E155-A159 HydrophobicContact CB-CB 3.69Å; G156-A159 WeakPolarHBondContact O-CB 3.28Å; G156-A159 PolarHBondContact O-N 3.41Å; P157-A159 PolarHBondContact O-N 3.37Å; A159-F161 PolarHBondContact O-N 2.91Å; A159-S162 VanDerWaalsContact O-CB 3.25Å; A159-S162 WeakPolarHBondContact O-CB 3.4Å; A159-S162 PolarHBondContact O-N 2.87Å; A159-S162 PolarHBondContact O-OG 3.45Å; A159-P232 HydrophobicContact CB-CB 4.23Å |
| 160 | L | 92.4 | Very high | 92.2 | Very high | 12 Ų | 12 | 55.8 Ų | 55.8 | 6% | 0.063 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -70.1 | -14.8 | 175.2 | -67.2 | 174.7 | 0 | 0 | 0 | 113.6 | P126 V129 I130 L148 V151 C152 P157 T158 | P126-L160 HydrophobicContact CB-CB 4Å; P126-L160 HydrophobicContact CB-CD1 4.23Å; P126-L160 HydrophobicContact CB-CD2 4.38Å; P126-L160 HydrophobicContact CB-CG 4.45Å; P126-L160 HydrophobicContact CG-CB 4.2Å; V129-L160 VanDerWaalsContact CG2-O 3.26Å; V129-L160 WeakPolarHBondContact CG2-O 3.23Å; I130-L160 HydrophobicContact CD1-CD2 4.05Å; I130-L160 HydrophobicContact CG1-CD2 4.36Å; L148-L160 HydrophobicContact CD2-CD1 3.99Å; L148-L160 HydrophobicContact CD2-CD2 3.82Å; V151-L160 HydrophobicContact CB-CD2 4.08Å; V151-L160 HydrophobicContact CG1-CD2 3.74Å; V151-L160 HydrophobicContact CG1-CG 4.04Å; C152-L160 WeakPolarHBondContact SG-CD1 3.44Å; P157-L160 WeakPolarHBondContact O-CB 3.46Å; P157-L160 PolarHBondContact O-N 3.46Å; T158-L160 PolarHBondContact O-N 2.87Å |
| 161 | F | 92.9 | Very high | 92.1 | Very high | 94 Ų | 94 | 54.3 Ų | 54.3 | 41% | 0.412 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -105.9 | 11.1 | 175.5 | -65.1 | -92.2 | 0 | 0 | 0 | 112.8 | L125 P126 T158 A159 G163 L164 | L125-F161 HydrophobicContact CB-CD1 4.22Å; L125-F161 HydrophobicContact CB-CE1 4.48Å; L125-F161 HydrophobicContact CD2-CB 4.04Å; L125-F161 HydrophobicContact CD2-CD1 3.93Å; L125-F161 HydrophobicContact CD2-CG 4.37Å; P126-F161 HydrophobicContact CG-CE1 4.27Å; P126-F161 HydrophobicContact CG-CE2 4.12Å; P126-F161 HydrophobicContact CG-CZ 3.82Å; T158-F161 PolarHBondContact O-N 3.16Å; A159-F161 PolarHBondContact O-N 2.91Å; F161-G163 PolarHBondContact O-N 3.2Å; F161-L164 PolarHBondContact O-N 2.81Å |
| 162 | S | 90.8 | Very high | 92.1 | Very high | 16 Ų | 16 | 56.5 Ų | 56.5 | 11% | 0.112 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 135 | 173.8 | 59.8 | 0 | 0 | 0 | 0 | 111.1 | A159 L164 Q229 | A159-S162 VanDerWaalsContact O-CB 3.25Å; A159-S162 WeakPolarHBondContact O-CB 3.4Å; A159-S162 PolarHBondContact O-N 2.87Å; A159-S162 PolarHBondContact O-OG 3.45Å; S162-L164 VanDerWaalsContact C-N 3.33Å; S162-L164 PolarHBondContact O-N 3Å; S162-Q229 WeakPolarHBondContact O-CG 3.14Å |
| 163 | G | 89.9 | Confident | 92.1 | Very high | 6 Ų | 6 | 56.1 Ų | 56.1 | 6% | 0.062 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | 19.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | F161 M165 A166 T167 V228 | F161-G163 PolarHBondContact O-N 3.2Å; G163-M165 PolarHBondContact O-N 3.48Å; G163-A166 PolarHBondContact O-N 2.94Å; G163-T167 WeakPolarHBondContact O-CB 3.49Å; G163-T167 PolarHBondContact O-N 3.42Å; G163-T167 PolarHBondContact O-OG1 3.3Å; G163-V228 VanDerWaalsContact N-CG1 3.26Å |
| 164 | L | 93.1 | Very high | 91.9 | Very high | 52 Ų | 52 | 47.5 Ų | 47.5 | 27% | 0.272 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -53 | -52.2 | 173.6 | 176.3 | 58.5 | 0 | 0 | 0 | 111.6 | V122 L125 F161 S162 A166 T167 L168 | V122-L164 HydrophobicContact CG2-CD1 3.77Å; V122-L164 HydrophobicContact CG2-CD2 4.47Å; L125-L164 HydrophobicContact CD2-CB 3.47Å; L125-L164 VanDerWaalsContact CD2-CB 3.47Å; L125-L164 HydrophobicContact CD2-CD1 3.67Å; L125-L164 HydrophobicContact CD2-CG 4.07Å; F161-L164 PolarHBondContact O-N 2.81Å; S162-L164 VanDerWaalsContact C-N 3.33Å; S162-L164 PolarHBondContact O-N 3Å; L164-A166 PolarHBondContact O-N 3.36Å; L164-T167 WeakPolarHBondContact O-CA 3.39Å; L164-T167 WeakPolarHBondContact O-CB 3.22Å; L164-T167 PolarHBondContact O-N 2.92Å; L164-T167 VanDerWaalsContact O-N 3.07Å; L164-L168 HydrophobicContact CD1-CD1 3.89Å; L164-L168 HydrophobicContact CD1-CD2 4.31Å; L164-L168 HydrophobicContact CD1-CG 3.86Å; L164-L168 HydrophobicContact CG-CD1 4.09Å; L164-L168 HydrophobicContact CG-CG 4.39Å; L164-L168 WeakPolarHBondContact O-CG 3.35Å; L164-L168 PolarHBondContact O-N 3.04Å |
| 165 | M | 92.7 | Very high | 91.7 | Very high | 129 Ų | 129 | 45.8 Ų | 45.8 | 64% | 0.635 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -57.6 | -48.5 | -178.9 | 179.8 | -174.2 | 152.8 | 0 | 0 | 111.9 | G163 T167 L168 L169 | G163-M165 PolarHBondContact O-N 3.48Å; M165-T167 VanDerWaalsContact C-N 3.28Å; M165-T167 PolarHBondContact O-N 3.28Å; M165-L168 PolarHBondContact O-N 3.33Å; M165-L169 WeakPolarHBondContact O-CB 3.5Å; M165-L169 PolarHBondContact O-N 2.96Å |
| 166 | A | 93.3 | Very high | 91.7 | Very high | 3 Ų | 3 | 44.1 Ų | 44.1 | 3% | 0.025 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.7 | -33.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | G163 L164 R170 V224 K225 T236 | G163-A166 PolarHBondContact O-N 2.94Å; L164-A166 PolarHBondContact O-N 3.36Å; A166-R170 WeakPolarHBondContact O-CB 3.2Å; A166-R170 PolarHBondContact O-N 3.07Å; A166-R170 VanDerWaalsContact O-N 3.09Å; A166-V224 HydrophobicContact CB-CB 4.43Å; A166-V224 HydrophobicContact CB-CG1 4.11Å; A166-K225 HydrophobicContact CB-CB 3.76Å; A166-T236 HydrophobicContact CB-CG2 4.49Å |
| 167 | T | 93.9 | Very high | 91.8 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.012 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.6 | -47.4 | 174 | -62 | 0 | 0 | 0 | 0 | 112 | L125 G163 L164 M165 R170 D171 K225 Q229 | L125-T167 HydrophobicContact CD1-CG2 4.19Å; G163-T167 WeakPolarHBondContact O-CB 3.49Å; G163-T167 PolarHBondContact O-N 3.42Å; G163-T167 PolarHBondContact O-OG1 3.3Å; L164-T167 WeakPolarHBondContact O-CA 3.39Å; L164-T167 WeakPolarHBondContact O-CB 3.22Å; L164-T167 PolarHBondContact O-N 2.92Å; L164-T167 VanDerWaalsContact O-N 3.07Å; M165-T167 VanDerWaalsContact C-N 3.28Å; M165-T167 PolarHBondContact O-N 3.28Å; T167-R170 PolarHBondContact O-N 3.37Å; T167-D171 WeakPolarHBondContact O-CB 3.09Å; T167-D171 PolarHBondContact O-N 3.39Å; T167-K225 HydrophobicContact CG2-CD 4.45Å; T167-K225 VanDerWaalsContact OG1-CD 3.23Å; T167-K225 WeakPolarHBondContact OG1-CD 3.37Å; T167-K225 WeakPolarHBondContact OG1-CE 3.42Å; T167-K225 WeakPolarHBondContact OG1-CG 3.27Å; T167-K225 PolarHBondContact OG1-NZ 2.76Å; T167-Q229 PolarHBondContact OG1-NE2 2.98Å |
| 168 | L | 94.8 | Very high | 91.9 | Very high | 40 Ų | 40 | 44.2 Ų | 44.2 | 21% | 0.209 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.2 | -43.6 | 178.4 | -66.7 | 179.8 | 0 | 0 | 0 | 111.4 | T118 L164 M165 R170 D171 V172 P173 | T118-L168 HydrophobicContact CG2-CD1 4.25Å; T118-L168 HydrophobicContact CG2-CD2 3.92Å; L164-L168 HydrophobicContact CD1-CD1 3.89Å; L164-L168 HydrophobicContact CD1-CD2 4.31Å; L164-L168 HydrophobicContact CD1-CG 3.86Å; L164-L168 HydrophobicContact CG-CD1 4.09Å; L164-L168 HydrophobicContact CG-CG 4.39Å; L164-L168 WeakPolarHBondContact O-CG 3.35Å; L164-L168 PolarHBondContact O-N 3.04Å; M165-L168 PolarHBondContact O-N 3.33Å; L168-R170 PolarHBondContact O-N 3.41Å; L168-D171 PolarHBondContact O-N 3.01Å; L168-D171 VanDerWaalsContact O-N 3.16Å; L168-V172 HydrophobicContact CB-CG2 4.38Å; L168-V172 HydrophobicContact CD2-CG2 4.27Å; L168-V172 WeakPolarHBondContact O-CB 3.47Å; L168-V172 WeakPolarHBondContact O-CG2 3.36Å; L168-V172 PolarHBondContact O-N 3.25Å; L168-P173 WeakPolarHBondContact O-CD 3.49Å |
| 169 | L | 94.2 | Very high | 92 | Very high | 102 Ų | 102 | 42.2 Ų | 42.2 | 53% | 0.534 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62 | -27.5 | 176.7 | -173.2 | 62.5 | 0 | 0 | 0 | 112.6 | M165 P173 A221 | M165-L169 WeakPolarHBondContact O-CB 3.5Å; M165-L169 PolarHBondContact O-N 2.96Å; L169-P173 WeakPolarHBondContact O-CD 3.35Å; L169-P173 WeakPolarHBondContact O-CG 3.37Å; L169-A221 HydrophobicContact CB-CB 4.18Å; L169-A221 HydrophobicContact CD2-CB 4.06Å; L169-A221 HydrophobicContact CG-CB 4.01Å |
| 170 | R | 92.6 | Very high | 92 | Very high | 41 Ų | 41 | 46.2 Ų | 46.2 | 16% | 0.155 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -79.5 | -44.1 | 172.6 | -176.1 | -161.8 | 69.8 | 175.4 | 2.1 | 112.4 | A166 T167 L168 A221 D222 K225 | A166-R170 WeakPolarHBondContact O-CB 3.2Å; A166-R170 PolarHBondContact O-N 3.07Å; A166-R170 VanDerWaalsContact O-N 3.09Å; T167-R170 PolarHBondContact O-N 3.37Å; L168-R170 PolarHBondContact O-N 3.41Å; R170-A221 HydrophobicContact CB-CB 4.13Å; R170-D222 WeakPolarHBondContact CD-OD1 3.36Å; R170-D222 HydrophobicContact CG-CB 4.01Å; R170-D222 IonicContact CZ-OD1 2.96Å; R170-D222 IonicContact NE-OD1 3.58Å; R170-D222 IonicContact NH1-OD1 3.72Å; R170-D222 PolarHBondContact NH1-OD1 3.13Å; R170-K225 VanDerWaalsContact CZ-NZ 3.3Å |
| 171 | D | 91.8 | Very high | 92.1 | Very high | 22 Ų | 22 | 47.9 Ų | 47.9 | 12% | 0.118 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -89.6 | -40.8 | -165.5 | -73.7 | -23.8 | 0 | 0 | 0 | 113.8 | R117 T167 L168 | R117-D171 VanDerWaalsContact CZ-O 3.24Å; R117-D171 PolarHBondContact NE-O 3.41Å; R117-D171 IonicContact NH1-OD1 2.81Å; R117-D171 PolarHBondContact NH2-O 3.19Å; T167-D171 WeakPolarHBondContact O-CB 3.09Å; T167-D171 PolarHBondContact O-N 3.39Å; L168-D171 PolarHBondContact O-N 3.01Å; L168-D171 VanDerWaalsContact O-N 3.16Å |
| 172 | V | 93.1 | Very high | 92.1 | Very high | 45 Ų | 45 | 46 Ų | 46 | 27% | 0.273 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -66 | -51.7 | -177.2 | 175.9 | 0 | 0 | 0 | 0 | 112.4 | T118 L168 F174 | T118-V172 WeakPolarHBondContact OG1-CG2 3.34Å; L168-V172 HydrophobicContact CB-CG2 4.38Å; L168-V172 HydrophobicContact CD2-CG2 4.27Å; L168-V172 WeakPolarHBondContact O-CB 3.47Å; L168-V172 WeakPolarHBondContact O-CG2 3.36Å; L168-V172 PolarHBondContact O-N 3.25Å; V172-F174 VanDerWaalsContact C-N 3.26Å; V172-F174 PolarHBondContact O-N 2.99Å |
| 173 | P | 92.3 | Very high | 92.1 | Very high | 44 Ų | 44 | 48.4 Ų | 48.4 | 29% | 0.286 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -75.4 | -16.6 | -176.7 | 30.6 | -35.4 | 0 | 0 | 0 | 113 | L168 L169 S175 G176 I177 T218 | L168-P173 WeakPolarHBondContact O-CD 3.49Å; L169-P173 WeakPolarHBondContact O-CD 3.35Å; L169-P173 WeakPolarHBondContact O-CG 3.37Å; P173-S175 VanDerWaalsContact C-N 3.31Å; P173-S175 PolarHBondContact O-N 3.35Å; P173-G176 PolarHBondContact O-N 3.35Å; P173-G176 VanDerWaalsContact O-N 3.14Å; P173-I177 HydrophobicContact CB-CD1 3.86Å; P173-I177 HydrophobicContact CB-CG1 4.46Å; P173-I177 HydrophobicContact CG-CD1 4.42Å; P173-I177 VanDerWaalsContact O-CG1 3.31Å; P173-I177 WeakPolarHBondContact O-CG1 3.29Å; P173-I177 PolarHBondContact O-N 2.99Å; P173-T218 HydrophobicContact CG-CG2 4.35Å |
| 174 | F | 89.8 | Confident | 92.2 | Very high | 26 Ų | 26 | 53.6 Ų | 53.6 | 11% | 0.114 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -52.6 | -46.1 | -174.9 | -178.7 | -92.5 | 0 | 0 | 0 | 112.9 | V172 I177 Y178 A214 | V172-F174 VanDerWaalsContact C-N 3.26Å; V172-F174 PolarHBondContact O-N 2.99Å; F174-I177 PolarHBondContact O-N 3.3Å; F174-Y178 VanDerWaalsContact O-CB 3.27Å; F174-Y178 WeakPolarHBondContact O-CB 3.19Å; F174-Y178 PolarHBondContact O-N 3.5Å; F174-A214 HydrophobicContact CD2-CB 4.15Å; F174-A214 HydrophobicContact CE2-CB 3.88Å; F174-A214 HydrophobicContact CZ-CB 4.42Å |
| 175 | S | 86.5 | Confident | 92.2 | Very high | 47 Ų | 47 | 51.9 Ų | 51.9 | 33% | 0.329 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -67.1 | -40.4 | -177.6 | -55.3 | 0 | 0 | 0 | 0 | 112.2 | P173 Y178 V179 | P173-S175 VanDerWaalsContact C-N 3.31Å; P173-S175 PolarHBondContact O-N 3.35Å; S175-Y178 PolarHBondContact O-N 2.98Å; S175-V179 WeakPolarHBondContact O-CG2 3.46Å; S175-V179 PolarHBondContact O-N 3.13Å |
| 176 | G | 90.2 | Very high | 92 | Very high | 20 Ų | 20 | 49.9 Ų | 49.9 | 21% | 0.206 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.3 | -45.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | P173 Y178 V179 M180 | P173-G176 PolarHBondContact O-N 3.35Å; P173-G176 VanDerWaalsContact O-N 3.14Å; G176-Y178 VanDerWaalsContact C-N 3.34Å; G176-Y178 PolarHBondContact O-N 3.25Å; G176-V179 PolarHBondContact O-N 2.86Å; G176-M180 WeakPolarHBondContact O-CB 3.44Å; G176-M180 PolarHBondContact O-N 3.26Å |
| 177 | I | 93.4 | Very high | 91.8 | Very high | 29 Ų | 29 | 53.7 Ų | 53.7 | 15% | 0.149 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.8 | -41.9 | 176.7 | -63.1 | 163.8 | 0 | 0 | 0 | 110.8 | P173 F174 M180 F181 A214 V217 T218 | P173-I177 HydrophobicContact CB-CD1 3.86Å; P173-I177 HydrophobicContact CB-CG1 4.46Å; P173-I177 HydrophobicContact CG-CD1 4.42Å; P173-I177 VanDerWaalsContact O-CG1 3.31Å; P173-I177 WeakPolarHBondContact O-CG1 3.29Å; P173-I177 PolarHBondContact O-N 2.99Å; F174-I177 PolarHBondContact O-N 3.3Å; I177-M180 PolarHBondContact O-N 3.46Å; I177-F181 HydrophobicContact CG2-CD2 3.5Å; I177-F181 HydrophobicContact CG2-CE2 3.36Å; I177-F181 VanDerWaalsContact O-CD2 3.29Å; I177-F181 WeakPolarHBondContact O-CD2 3.38Å; I177-F181 PolarHBondContact O-N 3.43Å; I177-A214 HydrophobicContact CB-CB 4.26Å; I177-A214 HydrophobicContact CG2-CB 3.76Å; I177-V217 HydrophobicContact CD1-CB 4.42Å; I177-V217 HydrophobicContact CD1-CG1 3.74Å; I177-V217 HydrophobicContact CG2-CB 4.45Å; I177-T218 HydrophobicContact CD1-CG2 3.88Å |
| 178 | Y | 92 | Very high | 91.5 | Very high | 78 Ų | 78 | 58.4 Ų | 58.4 | 31% | 0.306 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59.1 | -50.2 | 175.6 | 175.1 | -91.4 | 0 | 0 | 0 | 111.5 | F174 S175 G176 M180 F181 Y182 A210 | F174-Y178 VanDerWaalsContact O-CB 3.27Å; F174-Y178 WeakPolarHBondContact O-CB 3.19Å; F174-Y178 PolarHBondContact O-N 3.5Å; S175-Y178 PolarHBondContact O-N 2.98Å; G176-Y178 VanDerWaalsContact C-N 3.34Å; G176-Y178 PolarHBondContact O-N 3.25Å; Y178-M180 VanDerWaalsContact C-N 3.33Å; Y178-M180 PolarHBondContact O-N 3.17Å; Y178-F181 PolarHBondContact O-N 3.42Å; Y178-Y182 WeakPolarHBondContact O-CB 3.29Å; Y178-Y182 PolarHBondContact O-N 3.4Å; Y178-A210 HydrophobicContact CD2-CB 3.98Å; Y178-A210 HydrophobicContact CE2-CB 3.96Å |
| 179 | V | 91 | Very high | 91.2 | Very high | 71 Ų | 71 | 58.6 Ų | 58.6 | 43% | 0.43 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.9 | -43.2 | 178.8 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | S175 G176 F181 Y182 S183 | S175-V179 WeakPolarHBondContact O-CG2 3.46Å; S175-V179 PolarHBondContact O-N 3.13Å; G176-V179 PolarHBondContact O-N 2.86Å; V179-F181 PolarHBondContact O-N 3.49Å; V179-Y182 PolarHBondContact O-N 3.04Å; V179-S183 WeakPolarHBondContact O-CB 3.49Å; V179-S183 PolarHBondContact O-N 3.43Å; V179-S183 PolarHBondContact O-OG 3.33Å |
| 180 | M | 92.4 | Very high | 90.8 | Very high | 92 Ų | 92 | 57.3 Ų | 57.3 | 45% | 0.453 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -57 | -52.3 | 177.3 | -176.4 | -171.8 | 78.4 | 0 | 0 | 111.8 | G176 I177 Y178 Q184 | G176-M180 WeakPolarHBondContact O-CB 3.44Å; G176-M180 PolarHBondContact O-N 3.26Å; I177-M180 PolarHBondContact O-N 3.46Å; Y178-M180 VanDerWaalsContact C-N 3.33Å; Y178-M180 PolarHBondContact O-N 3.17Å; M180-Q184 WeakPolarHBondContact O-CG 3Å; M180-Q184 PolarHBondContact O-N 2.81Å |
| 181 | F | 94.4 | Very high | 90.1 | Very high | 46 Ų | 46 | 63.7 Ų | 63.7 | 20% | 0.202 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -68 | -35.9 | 178.7 | -75.8 | -57.7 | 0 | 0 | 0 | 112.6 | I177 Y178 V179 Q184 A185 A210 L213 V217 | I177-F181 HydrophobicContact CG2-CD2 3.5Å; I177-F181 HydrophobicContact CG2-CE2 3.36Å; I177-F181 VanDerWaalsContact O-CD2 3.29Å; I177-F181 WeakPolarHBondContact O-CD2 3.38Å; I177-F181 PolarHBondContact O-N 3.43Å; Y178-F181 PolarHBondContact O-N 3.42Å; V179-F181 PolarHBondContact O-N 3.49Å; F181-Q184 PolarHBondContact O-N 3.44Å; F181-A185 VanDerWaalsContact O-CB 3.23Å; F181-A185 WeakPolarHBondContact O-CB 3.34Å; F181-A185 PolarHBondContact O-N 3.47Å; F181-A210 HydrophobicContact CB-CB 3.81Å; F181-L213 HydrophobicContact CB-CD1 4.44Å; F181-L213 HydrophobicContact CD1-CB 4.23Å; F181-L213 HydrophobicContact CD1-CD1 3.65Å; F181-L213 HydrophobicContact CD2-CB 3.62Å; F181-L213 HydrophobicContact CE1-CB 4.29Å; F181-L213 HydrophobicContact CE1-CD1 3.94Å; F181-L213 HydrophobicContact CE2-CB 3.68Å; F181-L213 HydrophobicContact CG-CB 3.92Å; F181-L213 HydrophobicContact CG-CD1 3.98Å; F181-L213 HydrophobicContact CZ-CB 4.04Å; F181-L213 HydrophobicContact CZ-CD1 4.49Å; F181-V217 HydrophobicContact CE2-CG2 4.07Å; F181-V217 HydrophobicContact CZ-CG2 4.32Å |
| 182 | Y | 91.9 | Very high | 89.2 | Confident | 56 Ų | 56 | 70.2 Ų | 70.2 | 22% | 0.22 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.7 | -46.9 | 177.4 | 178.7 | -95.1 | 0 | 0 | 0 | 111.4 | Y178 V179 A185 K186 N203 C206 | Y178-Y182 WeakPolarHBondContact O-CB 3.29Å; Y178-Y182 PolarHBondContact O-N 3.4Å; V179-Y182 PolarHBondContact O-N 3.04Å; Y182-A185 PolarHBondContact O-N 2.68Å; Y182-K186 HydrophobicContact CE1-CD 4.07Å; Y182-K186 VanDerWaalsContact O-CB 3.27Å; Y182-K186 WeakPolarHBondContact O-CB 3.49Å; Y182-K186 PolarHBondContact O-N 2.81Å; Y182-N203 PolarHBondContact OH-OD1 3.02Å; Y182-C206 HydrophobicContact CD2-CB 4.06Å; Y182-C206 HydrophobicContact CE2-CB 3.93Å |
| 183 | S | 90.8 | Very high | 88.4 | Confident | 66 Ų | 66 | 71.4 Ų | 71.4 | 46% | 0.462 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.2 | -42.5 | 176.7 | -70.1 | 0 | 0 | 0 | 0 | 111.9 | V179 K186 A187 | V179-S183 WeakPolarHBondContact O-CB 3.49Å; V179-S183 PolarHBondContact O-N 3.43Å; V179-S183 PolarHBondContact O-OG 3.33Å; S183-K186 PolarHBondContact O-N 3.37Å; S183-A187 VanDerWaalsContact O-CB 3.31Å; S183-A187 WeakPolarHBondContact O-CB 3.49Å; S183-A187 PolarHBondContact O-N 2.77Å |
| 184 | Q | 93 | Very high | 87.3 | Confident | 114 Ų | 114 | 71.8 Ų | 71.8 | 53% | 0.533 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -66.4 | -45.9 | 175.7 | -74.5 | -161.4 | 70.1 | 0 | 0 | 112.3 | M180 F181 K186 A187 S188 | M180-Q184 WeakPolarHBondContact O-CG 3Å; M180-Q184 PolarHBondContact O-N 2.81Å; F181-Q184 PolarHBondContact O-N 3.44Å; Q184-K186 VanDerWaalsContact C-N 3.29Å; Q184-K186 PolarHBondContact O-N 3.48Å; Q184-A187 PolarHBondContact O-N 2.91Å; Q184-S188 PolarHBondContact O-N 3.37Å; Q184-S188 VanDerWaalsContact O-N 3.14Å; Q184-S188 PolarHBondContact O-OG 3.27Å |
| 185 | A | 91.1 | Very high | 86.3 | Confident | 17 Ų | 17 | 75.4 Ų | 75.4 | 14% | 0.14 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -57.8 | -45.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | F181 Y182 S188 L189 C206 L209 | F181-A185 VanDerWaalsContact O-CB 3.23Å; F181-A185 WeakPolarHBondContact O-CB 3.34Å; F181-A185 PolarHBondContact O-N 3.47Å; Y182-A185 PolarHBondContact O-N 2.68Å; A185-S188 PolarHBondContact O-N 2.98Å; A185-L189 WeakPolarHBondContact O-CD1 3.38Å; A185-C206 HydrophobicContact CB-CB 4.03Å; A185-L209 HydrophobicContact CB-CD2 4.39Å |
| 186 | K | 88.8 | Confident | 85.9 | Confident | 86 Ų | 86 | 75.4 Ų | 75.4 | 37% | 0.374 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -67.2 | -35.8 | 178.8 | -169.6 | 171.8 | -176.8 | 168.5 | 0 | 113.2 | Y182 S183 Q184 S188 L189 N203 | Y182-K186 HydrophobicContact CE1-CD 4.07Å; Y182-K186 VanDerWaalsContact O-CB 3.27Å; Y182-K186 WeakPolarHBondContact O-CB 3.49Å; Y182-K186 PolarHBondContact O-N 2.81Å; S183-K186 PolarHBondContact O-N 3.37Å; Q184-K186 VanDerWaalsContact C-N 3.29Å; Q184-K186 PolarHBondContact O-N 3.48Å; K186-S188 VanDerWaalsContact C-N 3.26Å; K186-S188 PolarHBondContact O-N 3.01Å; K186-L189 PolarHBondContact O-N 2.95Å; K186-N203 WeakPolarHBondContact CE-OD1 3.05Å; K186-N203 PolarHBondContact NZ-OD1 3.42Å |
| 187 | A | 88.8 | Confident | 85.2 | Confident | 84 Ų | 84 | 80.4 Ų | 80.4 | 69% | 0.694 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -67 | -28.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S183 Q184 L189 | S183-A187 VanDerWaalsContact O-CB 3.31Å; S183-A187 WeakPolarHBondContact O-CB 3.49Å; S183-A187 PolarHBondContact O-N 2.77Å; Q184-A187 PolarHBondContact O-N 2.91Å; A187-L189 VanDerWaalsContact C-N 3.27Å; A187-L189 PolarHBondContact O-N 3.02Å |
| 188 | S | 89 | Confident | 84.5 | Confident | 100 Ų | 100 | 82.4 Ų | 82.4 | 70% | 0.699 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -5.2 | 175.6 | -57.4 | 0 | 0 | 0 | 0 | 113.9 | Q184 A185 K186 | Q184-S188 PolarHBondContact O-N 3.37Å; Q184-S188 VanDerWaalsContact O-N 3.14Å; Q184-S188 PolarHBondContact O-OG 3.27Å; A185-S188 PolarHBondContact O-N 2.98Å; K186-S188 VanDerWaalsContact C-N 3.26Å; K186-S188 PolarHBondContact O-N 3.01Å |
| 189 | L | 87.9 | Confident | 84.1 | Confident | 45 Ų | 45 | 79.4 Ų | 79.4 | 24% | 0.236 | 46% | 0.464 | C | S | . | . | S | Bend | trans | -81.3 | 133.8 | 177.2 | -94.3 | 67.5 | 0 | 0 | 0 | 110.7 | A185 K186 A187 I193 A202 C206 | A185-L189 WeakPolarHBondContact O-CD1 3.38Å; K186-L189 PolarHBondContact O-N 2.95Å; A187-L189 VanDerWaalsContact C-N 3.27Å; A187-L189 PolarHBondContact O-N 3.02Å; L189-I193 HydrophobicContact CD2-CG2 4.48Å; L189-A202 HydrophobicContact CD2-CB 3.6Å; L189-C206 VanDerWaalsContact CD1-SG 3.55Å |
| 190 | P | 85.1 | Confident | 83.7 | Confident | 74 Ų | 74 | 78.4 Ų | 78.4 | 48% | 0.481 | 46% | 0.459 | S | S | . | . | trans | -53.2 | 141.3 | 169.5 | -25.8 | 32.8 | 0 | 0 | 0 | 112.3 | E192 I193 S194 | P190-E192 PolarHBondContact O-N 3.5Å; P190-I193 HydrophobicContact CB-CD1 4.33Å; P190-I193 HydrophobicContact CB-CG1 4.38Å; P190-I193 HydrophobicContact CG-CD1 4.04Å; P190-I193 PolarHBondContact O-N 3.2Å; P190-I193 VanDerWaalsContact O-N 3.09Å; P190-S194 PolarHBondContact O-N 2.92Å | ||
| 191 | Q | 77.9 | Confident | 83.4 | Confident | 175 Ų | 175 | 78 Ų | 78 | 82% | 0.818 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -61 | -32.5 | -177.1 | -144.7 | 172.5 | -0.4 | 0 | 0 | 111.8 | I193 S194 S195 | Q191-I193 VanDerWaalsContact C-N 3.34Å; Q191-I193 PolarHBondContact O-N 2.88Å; Q191-S194 PolarHBondContact O-N 2.97Å; Q191-S195 PolarHBondContact O-N 3.39Å; Q191-S195 PolarHBondContact O-OG 3.4Å |
| 192 | E | 74.1 | Confident | 83.1 | Confident | 160 Ų | 160 | 76.6 Ų | 76.6 | 75% | 0.748 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -61.4 | -36.1 | 176 | -63.8 | -178.5 | 172.6 | 0 | 0 | 113.6 | P190 S194 S195 S196 | P190-E192 PolarHBondContact O-N 3.5Å; E192-S194 VanDerWaalsContact C-N 3.34Å; E192-S195 PolarHBondContact O-OG 3.03Å; E192-S196 WeakPolarHBondContact O-CB 3.39Å; E192-S196 PolarHBondContact O-N 3.28Å |
| 193 | I | 75.5 | Confident | 83 | Confident | 70 Ų | 70 | 76.4 Ų | 76.4 | 36% | 0.359 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -76.9 | -27.7 | 178.9 | -61.6 | 176.2 | 0 | 0 | 0 | 110.7 | L189 P190 Q191 S196 A199 A202 | L189-I193 HydrophobicContact CD2-CG2 4.48Å; P190-I193 HydrophobicContact CB-CD1 4.33Å; P190-I193 HydrophobicContact CB-CG1 4.38Å; P190-I193 HydrophobicContact CG-CD1 4.04Å; P190-I193 PolarHBondContact O-N 3.2Å; P190-I193 VanDerWaalsContact O-N 3.09Å; Q191-I193 VanDerWaalsContact C-N 3.34Å; Q191-I193 PolarHBondContact O-N 2.88Å; I193-S196 PolarHBondContact O-OG 3.25Å; I193-A199 WeakPolarHBondContact O-CA 3.15Å; I193-A202 HydrophobicContact CG2-CB 3.85Å |
| 194 | S | 69.6 | Low | 82.9 | Confident | 51 Ų | 51 | 75.8 Ų | 75.8 | 36% | 0.357 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -75 | -24.7 | 179 | -65.4 | 0 | 0 | 0 | 0 | 113.3 | P190 Q191 E192 A199 | P190-S194 PolarHBondContact O-N 2.92Å; Q191-S194 PolarHBondContact O-N 2.97Å; E192-S194 VanDerWaalsContact C-N 3.34Å; S194-A199 VanDerWaalsContact O-CB 3.28Å; S194-A199 WeakPolarHBondContact O-CB 3.38Å |
| 195 | S | 68.9 | Low | 82.9 | Confident | 102 Ų | 102 | 73.4 Ų | 73.4 | 71% | 0.713 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -101.5 | -5.8 | 177.9 | 53.6 | 0 | 0 | 0 | 0 | 114.2 | Q191 E192 | Q191-S195 PolarHBondContact O-N 3.39Å; Q191-S195 PolarHBondContact O-OG 3.4Å; E192-S195 PolarHBondContact O-OG 3.03Å |
| 196 | S | 77.6 | Confident | 82.9 | Confident | 47 Ų | 47 | 72.9 Ų | 72.9 | 33% | 0.329 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -84.7 | 168.8 | -179.2 | 72.4 | 0 | 0 | 0 | 0 | 112.7 | E192 I193 S198 A199 | E192-S196 WeakPolarHBondContact O-CB 3.39Å; E192-S196 PolarHBondContact O-N 3.28Å; I193-S196 PolarHBondContact O-OG 3.25Å; S196-S198 PolarHBondContact O-N 2.75Å; S196-S198 PolarHBondContact OG-N 3.37Å; S196-A199 VanDerWaalsContact O-CB 3.27Å; S196-A199 WeakPolarHBondContact O-CB 3.26Å; S196-A199 PolarHBondContact O-N 2.99Å |
| 197 | S | 75.8 | Confident | 83 | Confident | 125 Ų | 125 | 69.3 Ų | 69.3 | 87% | 0.874 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -21.2 | 170.9 | -174.9 | 0 | 0 | 0 | 0 | 112.9 | P200 | S197-P200 VanDerWaalsContact O-CD 3.25Å; S197-P200 WeakPolarHBondContact O-CD 3.5Å |
| 198 | S | 79.8 | Confident | 83.3 | Confident | 71 Ų | 71 | 66.8 Ų | 66.8 | 50% | 0.497 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -5 | 177.9 | -52 | 0 | 0 | 0 | 0 | 114.8 | S196 P200 V201 A202 | S196-S198 PolarHBondContact O-N 2.75Å; S196-S198 PolarHBondContact OG-N 3.37Å; S198-P200 VanDerWaalsContact C-N 3.3Å; S198-V201 PolarHBondContact O-N 2.88Å; S198-V201 VanDerWaalsContact O-N 3.16Å; S198-A202 PolarHBondContact O-N 3.09Å |
| 199 | A | 82.5 | Confident | 83.5 | Confident | 15 Ų | 15 | 66.3 Ų | 66.3 | 12% | 0.124 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -51.6 | -38.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | I193 S194 S196 A202 N203 | I193-A199 WeakPolarHBondContact O-CA 3.15Å; S194-A199 VanDerWaalsContact O-CB 3.28Å; S194-A199 WeakPolarHBondContact O-CB 3.38Å; S196-A199 VanDerWaalsContact O-CB 3.27Å; S196-A199 WeakPolarHBondContact O-CB 3.26Å; S196-A199 PolarHBondContact O-N 2.99Å; A199-A202 PolarHBondContact O-N 3.42Å; A199-N203 WeakPolarHBondContact O-CB 3.43Å; A199-N203 VanDerWaalsContact O-CG 3.3Å; A199-N203 PolarHBondContact O-N 2.96Å; A199-N203 PolarHBondContact O-ND2 2.98Å |
| 200 | P | 83.3 | Confident | 83.9 | Confident | 51 Ų | 51 | 64.2 Ų | 64.2 | 33% | 0.331 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -69.2 | -38.8 | 180 | -18.2 | 32.4 | 0 | 0 | 0 | 113.6 | S197 S198 A202 N203 F204 W271 | S197-P200 VanDerWaalsContact O-CD 3.25Å; S197-P200 WeakPolarHBondContact O-CD 3.5Å; S198-P200 VanDerWaalsContact C-N 3.3Å; P200-A202 VanDerWaalsContact C-N 3.32Å; P200-N203 PolarHBondContact O-N 2.71Å; P200-F204 WeakPolarHBondContact O-CB 2.97Å; P200-F204 PolarHBondContact O-N 2.89Å; P200-W271 HydrophobicContact CB-CH2 3.11Å; P200-W271 HydrophobicContact CB-CZ2 3.92Å; P200-W271 HydrophobicContact CB-CZ3 3.77Å; P200-W271 HydrophobicContact CG-CH2 4.36Å |
| 201 | V | 86.1 | Confident | 84.2 | Confident | 84 Ų | 84 | 61 Ų | 61 | 51% | 0.509 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66.2 | -37.7 | 174.6 | 178.6 | 0 | 0 | 0 | 0 | 111 | S198 F204 S205 | S198-V201 PolarHBondContact O-N 2.88Å; S198-V201 VanDerWaalsContact O-N 3.16Å; V201-F204 WeakPolarHBondContact O-CB 3.42Å; V201-F204 PolarHBondContact O-N 2.86Å; V201-S205 WeakPolarHBondContact O-CB 3.46Å; V201-S205 PolarHBondContact O-N 3.08Å; V201-S205 PolarHBondContact O-OG 2.69Å |
| 202 | A | 88.1 | Confident | 85.1 | Confident | 16 Ų | 16 | 54.3 Ų | 54.3 | 13% | 0.132 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -66.4 | -45.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L189 I193 S198 A199 P200 F204 S205 C206 | L189-A202 HydrophobicContact CD2-CB 3.6Å; I193-A202 HydrophobicContact CG2-CB 3.85Å; S198-A202 PolarHBondContact O-N 3.09Å; A199-A202 PolarHBondContact O-N 3.42Å; P200-A202 VanDerWaalsContact C-N 3.32Å; A202-F204 VanDerWaalsContact C-N 3.34Å; A202-F204 PolarHBondContact O-N 3.42Å; A202-S205 PolarHBondContact O-N 3.18Å; A202-C206 PolarHBondContact O-N 3.3Å; A202-C206 PolarHBondContact O-SG 3.06Å |
| 203 | N | 89.1 | Confident | 86.1 | Confident | 51 Ų | 51 | 49.5 Ų | 49.5 | 27% | 0.273 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.9 | -40.5 | 173.6 | -76.2 | -54.5 | 0 | 0 | 0 | 112 | Y182 K186 A199 P200 C206 G207 | Y182-N203 PolarHBondContact OH-OD1 3.02Å; K186-N203 WeakPolarHBondContact CE-OD1 3.05Å; K186-N203 PolarHBondContact NZ-OD1 3.42Å; A199-N203 WeakPolarHBondContact O-CB 3.43Å; A199-N203 VanDerWaalsContact O-CG 3.3Å; A199-N203 PolarHBondContact O-N 2.96Å; A199-N203 PolarHBondContact O-ND2 2.98Å; P200-N203 PolarHBondContact O-N 2.71Å; N203-C206 PolarHBondContact O-N 2.74Å; N203-G207 PolarHBondContact O-N 3.41Å |
| 204 | F | 90 | Very high | 87 | Confident | 54 Ų | 54 | 46.1 Ų | 46.1 | 24% | 0.237 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.4 | -48.3 | 174.5 | 173.7 | -99.4 | 0 | 0 | 0 | 111.6 | P200 V201 A202 C206 G207 V208 A267 A268 W271 | P200-F204 WeakPolarHBondContact O-CB 2.97Å; P200-F204 PolarHBondContact O-N 2.89Å; V201-F204 WeakPolarHBondContact O-CB 3.42Å; V201-F204 PolarHBondContact O-N 2.86Å; A202-F204 VanDerWaalsContact C-N 3.34Å; A202-F204 PolarHBondContact O-N 3.42Å; F204-C206 PolarHBondContact O-N 3.47Å; F204-G207 WeakPolarHBondContact O-CA 3.22Å; F204-G207 PolarHBondContact O-N 3.02Å; F204-G207 VanDerWaalsContact O-N 3.09Å; F204-V208 HydrophobicContact CD1-CG2 4.32Å; F204-V208 HydrophobicContact CE1-CG2 3.81Å; F204-V208 HydrophobicContact CE2-CG2 4.12Å; F204-V208 HydrophobicContact CZ-CG2 3.7Å; F204-V208 PolarHBondContact O-N 3.17Å; F204-A267 VanDerWaalsContact CE2-C 3.49Å; F204-A267 HydrophobicContact CE2-CB 3.96Å; F204-A267 WeakPolarHBondContact CE2-O 3.07Å; F204-A267 HydrophobicContact CZ-CB 4.47Å; F204-A268 HydrophobicContact CZ-CB 4.06Å; F204-W271 HydrophobicContact CB-CD2 4.38Å; F204-W271 HydrophobicContact CB-CE3 4.22Å; F204-W271 HydrophobicContact CD2-CB 3.62Å; F204-W271 HydrophobicContact CD2-CD2 4.17Å; F204-W271 HydrophobicContact CD2-CE3 4.33Å; F204-W271 AromaticContact CD2-CG 3.85Å; F204-W271 HydrophobicContact CD2-CG 3.85Å; F204-W271 HydrophobicContact CE2-CB 3.63Å; F204-W271 HydrophobicContact CE2-CG 4.16Å; F204-W271 HydrophobicContact CG-CD2 4.41Å; F204-W271 HydrophobicContact CG-CG 4.35Å |
| 205 | S | 91.1 | Very high | 88.2 | Confident | 63 Ų | 63 | 43.7 Ų | 43.7 | 44% | 0.441 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.1 | -42.3 | 179 | -57.4 | 0 | 0 | 0 | 0 | 111.9 | V201 A202 G207 V208 L209 | V201-S205 WeakPolarHBondContact O-CB 3.46Å; V201-S205 PolarHBondContact O-N 3.08Å; V201-S205 PolarHBondContact O-OG 2.69Å; A202-S205 PolarHBondContact O-N 3.18Å; S205-G207 VanDerWaalsContact C-N 3.31Å; S205-G207 PolarHBondContact O-N 3.01Å; S205-V208 PolarHBondContact O-N 3.06Å; S205-L209 WeakPolarHBondContact O-CB 3.24Å; S205-L209 PolarHBondContact O-N 3.32Å |
| 206 | C | 91.6 | Very high | 89.4 | Confident | 7 Ų | 7 | 41.7 Ų | 41.7 | 5% | 0.047 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.9 | -41.5 | 172.6 | -65.8 | 0 | 0 | 0 | 0 | 111.7 | Y182 A185 L189 A202 N203 F204 L209 A210 | Y182-C206 HydrophobicContact CD2-CB 4.06Å; Y182-C206 HydrophobicContact CE2-CB 3.93Å; A185-C206 HydrophobicContact CB-CB 4.03Å; L189-C206 VanDerWaalsContact CD1-SG 3.55Å; A202-C206 PolarHBondContact O-N 3.3Å; A202-C206 PolarHBondContact O-SG 3.06Å; N203-C206 PolarHBondContact O-N 2.74Å; F204-C206 PolarHBondContact O-N 3.47Å; C206-L209 PolarHBondContact O-N 2.89Å; C206-A210 VanDerWaalsContact O-CB 3.25Å; C206-A210 WeakPolarHBondContact O-CB 3.28Å; C206-A210 PolarHBondContact O-N 3.35Å |
| 207 | G | 92.1 | Very high | 90.3 | Very high | 11 Ų | 11 | 43.4 Ų | 43.4 | 11% | 0.113 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63 | -43.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | N203 F204 S205 G211 | N203-G207 PolarHBondContact O-N 3.41Å; F204-G207 WeakPolarHBondContact O-CA 3.22Å; F204-G207 PolarHBondContact O-N 3.02Å; F204-G207 VanDerWaalsContact O-N 3.09Å; S205-G207 VanDerWaalsContact C-N 3.31Å; S205-G207 PolarHBondContact O-N 3.01Å; G207-G211 PolarHBondContact O-N 2.68Å |
| 208 | V | 93.9 | Very high | 91.2 | Very high | 30 Ų | 30 | 37.7 Ų | 37.7 | 18% | 0.182 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.4 | -49.4 | 175.7 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | F204 S205 A210 G211 V212 T264 A267 | F204-V208 HydrophobicContact CD1-CG2 4.32Å; F204-V208 HydrophobicContact CE1-CG2 3.81Å; F204-V208 HydrophobicContact CE2-CG2 4.12Å; F204-V208 HydrophobicContact CZ-CG2 3.7Å; F204-V208 PolarHBondContact O-N 3.17Å; S205-V208 PolarHBondContact O-N 3.06Å; V208-A210 PolarHBondContact O-N 2.66Å; V208-G211 PolarHBondContact O-N 3.37Å; V208-V212 HydrophobicContact CG1-CG2 4.48Å; V208-V212 WeakPolarHBondContact O-CG2 3.3Å; V208-V212 PolarHBondContact O-N 3.22Å; V208-T264 HydrophobicContact CG1-CG2 3.91Å; V208-T264 HydrophobicContact CG2-CG2 4.47Å; V208-A267 HydrophobicContact CG2-CB 4.03Å |
| 209 | L | 94.6 | Very high | 91.9 | Very high | 91 Ų | 91 | 34.4 Ų | 34.4 | 48% | 0.476 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -58.8 | -49.1 | 179 | 179.4 | 60.3 | 0 | 0 | 0 | 111.4 | A185 S205 C206 G211 V212 L213 | A185-L209 HydrophobicContact CB-CD2 4.39Å; S205-L209 WeakPolarHBondContact O-CB 3.24Å; S205-L209 PolarHBondContact O-N 3.32Å; C206-L209 PolarHBondContact O-N 2.89Å; L209-G211 VanDerWaalsContact C-N 3.31Å; L209-G211 PolarHBondContact O-N 3.05Å; L209-V212 PolarHBondContact O-N 2.95Å; L209-L213 HydrophobicContact CD1-CD1 4Å; L209-L213 HydrophobicContact CD1-CG 4.16Å; L209-L213 HydrophobicContact CG-CD1 4.03Å; L209-L213 WeakPolarHBondContact O-CG 3.41Å; L209-L213 PolarHBondContact O-N 3.45Å |
| 210 | A | 94.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.1 | -40.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y178 F181 C206 V208 A214 | Y178-A210 HydrophobicContact CD2-CB 3.98Å; Y178-A210 HydrophobicContact CE2-CB 3.96Å; F181-A210 HydrophobicContact CB-CB 3.81Å; C206-A210 VanDerWaalsContact O-CB 3.25Å; C206-A210 WeakPolarHBondContact O-CB 3.28Å; C206-A210 PolarHBondContact O-N 3.35Å; V208-A210 PolarHBondContact O-N 2.66Å; A210-A214 WeakPolarHBondContact O-CB 3.23Å; A210-A214 PolarHBondContact O-N 2.92Å |
| 211 | G | 93.3 | Very high | 93.1 | Very high | 7 Ų | 7 | 33.8 Ų | 33.8 | 7% | 0.072 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.4 | -39.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | G207 V208 L209 S215 | G207-G211 PolarHBondContact O-N 2.68Å; V208-G211 PolarHBondContact O-N 3.37Å; L209-G211 VanDerWaalsContact C-N 3.31Å; L209-G211 PolarHBondContact O-N 3.05Å; G211-S215 VanDerWaalsContact O-CB 3.28Å; G211-S215 WeakPolarHBondContact O-CB 3.28Å; G211-S215 PolarHBondContact O-N 3.2Å; G211-S215 VanDerWaalsContact O-N 3.09Å; G211-S215 PolarHBondContact O-OG 3.29Å |
| 212 | V | 95.5 | Very high | 93.5 | Very high | 35 Ų | 35 | 29.9 Ų | 29.9 | 21% | 0.212 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.5 | -52.3 | 175.3 | 170 | 0 | 0 | 0 | 0 | 110.2 | V208 L209 A214 S215 L216 C260 | V208-V212 HydrophobicContact CG1-CG2 4.48Å; V208-V212 WeakPolarHBondContact O-CG2 3.3Å; V208-V212 PolarHBondContact O-N 3.22Å; L209-V212 PolarHBondContact O-N 2.95Å; V212-A214 PolarHBondContact O-N 3.49Å; V212-S215 WeakPolarHBondContact O-CA 3.32Å; V212-S215 WeakPolarHBondContact O-CB 3.38Å; V212-S215 PolarHBondContact O-N 3.4Å; V212-L216 HydrophobicContact CG1-CD1 4.14Å; V212-L216 HydrophobicContact CG1-CG 4.48Å; V212-L216 WeakPolarHBondContact O-CG 3Å; V212-L216 PolarHBondContact O-N 3.42Å; V212-C260 HydrophobicContact CG2-CB 4.28Å |
| 213 | L | 95.5 | Very high | 93.8 | Very high | 58 Ų | 58 | 29.1 Ų | 29.1 | 30% | 0.304 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -60.4 | -45.4 | -179.7 | -67.9 | 174.9 | 0 | 0 | 0 | 111.9 | F181 L209 S215 L216 V217 | F181-L213 HydrophobicContact CB-CD1 4.44Å; F181-L213 HydrophobicContact CD1-CB 4.23Å; F181-L213 HydrophobicContact CD1-CD1 3.65Å; F181-L213 HydrophobicContact CD2-CB 3.62Å; F181-L213 HydrophobicContact CE1-CB 4.29Å; F181-L213 HydrophobicContact CE1-CD1 3.94Å; F181-L213 HydrophobicContact CE2-CB 3.68Å; F181-L213 HydrophobicContact CG-CB 3.92Å; F181-L213 HydrophobicContact CG-CD1 3.98Å; F181-L213 HydrophobicContact CZ-CB 4.04Å; F181-L213 HydrophobicContact CZ-CD1 4.49Å; L209-L213 HydrophobicContact CD1-CD1 4Å; L209-L213 HydrophobicContact CD1-CG 4.16Å; L209-L213 HydrophobicContact CG-CD1 4.03Å; L209-L213 WeakPolarHBondContact O-CG 3.41Å; L209-L213 PolarHBondContact O-N 3.45Å; L213-S215 PolarHBondContact O-N 2.78Å; L213-L216 PolarHBondContact O-N 2.93Å; L213-V217 WeakPolarHBondContact O-CG2 3.25Å; L213-V217 PolarHBondContact O-N 2.95Å |
| 214 | A | 94.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.3 | -34.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | F174 I177 A210 V212 T218 | F174-A214 HydrophobicContact CD2-CB 4.15Å; F174-A214 HydrophobicContact CE2-CB 3.88Å; F174-A214 HydrophobicContact CZ-CB 4.42Å; I177-A214 HydrophobicContact CB-CB 4.26Å; I177-A214 HydrophobicContact CG2-CB 3.76Å; A210-A214 WeakPolarHBondContact O-CB 3.23Å; A210-A214 PolarHBondContact O-N 2.92Å; V212-A214 PolarHBondContact O-N 3.49Å; A214-T218 PolarHBondContact O-N 3.09Å; A214-T218 VanDerWaalsContact O-N 3.16Å; A214-T218 PolarHBondContact O-OG1 2.92Å |
| 215 | S | 94.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -70.7 | -37.3 | 176.4 | -64.2 | 0 | 0 | 0 | 0 | 112.5 | G211 V212 L213 T218 Q219 R259 | G211-S215 VanDerWaalsContact O-CB 3.28Å; G211-S215 WeakPolarHBondContact O-CB 3.28Å; G211-S215 PolarHBondContact O-N 3.2Å; G211-S215 VanDerWaalsContact O-N 3.09Å; G211-S215 PolarHBondContact O-OG 3.29Å; V212-S215 WeakPolarHBondContact O-CA 3.32Å; V212-S215 WeakPolarHBondContact O-CB 3.38Å; V212-S215 PolarHBondContact O-N 3.4Å; L213-S215 PolarHBondContact O-N 2.78Å; S215-T218 CarbonylContact O-C 3.41Å; S215-Q219 WeakPolarHBondContact O-CB 3.28Å; S215-Q219 PolarHBondContact O-N 3.47Å; S215-R259 PolarHBondContact O-NH1 3.42Å |
| 216 | L | 95.3 | Very high | 94.4 | Very high | 59 Ų | 59 | 21.8 Ų | 21.8 | 31% | 0.309 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -67.4 | -45.2 | 175.9 | -68.6 | 174.5 | 0 | 0 | 0 | 111.6 | V212 L213 T218 Q219 A256 | V212-L216 HydrophobicContact CG1-CD1 4.14Å; V212-L216 HydrophobicContact CG1-CG 4.48Å; V212-L216 WeakPolarHBondContact O-CG 3Å; V212-L216 PolarHBondContact O-N 3.42Å; L213-L216 PolarHBondContact O-N 2.93Å; L216-T218 VanDerWaalsContact C-N 3.28Å; L216-T218 PolarHBondContact O-N 2.69Å; L216-Q219 WeakPolarHBondContact O-CB 3.38Å; L216-Q219 PolarHBondContact O-N 3.15Å; L216-Q219 VanDerWaalsContact O-N 3.08Å; L216-A256 HydrophobicContact CD2-CB 4.09Å |
| 217 | V | 95.6 | Very high | 94.4 | Very high | 84 Ų | 84 | 21.5 Ų | 21.5 | 51% | 0.509 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -60.9 | -39.5 | 177.2 | 174 | 0 | 0 | 0 | 0 | 111.3 | I177 F181 L213 Q219 | I177-V217 HydrophobicContact CD1-CB 4.42Å; I177-V217 HydrophobicContact CD1-CG1 3.74Å; I177-V217 HydrophobicContact CG2-CB 4.45Å; F181-V217 HydrophobicContact CE2-CG2 4.07Å; F181-V217 HydrophobicContact CZ-CG2 4.32Å; L213-V217 WeakPolarHBondContact O-CG2 3.25Å; L213-V217 PolarHBondContact O-N 2.95Å; V217-Q219 VanDerWaalsContact C-N 3.31Å; V217-Q219 PolarHBondContact O-N 3.36Å |
| 218 | T | 95.3 | Very high | 94.4 | Very high | 5 Ų | 5 | 21.1 Ų | 21.1 | 3% | 0.031 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 12.6 | 178.4 | 59.3 | 0 | 0 | 0 | 0 | 113.2 | P173 I177 A214 S215 L216 D222 R259 | P173-T218 HydrophobicContact CG-CG2 4.35Å; I177-T218 HydrophobicContact CD1-CG2 3.88Å; A214-T218 PolarHBondContact O-N 3.09Å; A214-T218 VanDerWaalsContact O-N 3.16Å; A214-T218 PolarHBondContact O-OG1 2.92Å; S215-T218 CarbonylContact O-C 3.41Å; L216-T218 VanDerWaalsContact C-N 3.28Å; L216-T218 PolarHBondContact O-N 2.69Å; T218-D222 PolarHBondContact O-N 3.46Å; T218-R259 PolarHBondContact O-NH1 3.18Å; T218-R259 PolarHBondContact OG1-NH2 3.14Å |
| 219 | Q | 95.2 | Very high | 94.3 | Very high | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -70.7 | -45.9 | -179.4 | -172.2 | 64.5 | 8.9 | 0 | 0 | 113.4 | S215 L216 V217 A221 D222 V223 F252 F253 R254 A256 | S215-Q219 WeakPolarHBondContact O-CB 3.28Å; S215-Q219 PolarHBondContact O-N 3.47Å; L216-Q219 WeakPolarHBondContact O-CB 3.38Å; L216-Q219 PolarHBondContact O-N 3.15Å; L216-Q219 VanDerWaalsContact O-N 3.08Å; V217-Q219 VanDerWaalsContact C-N 3.31Å; V217-Q219 PolarHBondContact O-N 3.36Å; Q219-A221 VanDerWaalsContact C-N 3.34Å; Q219-A221 PolarHBondContact O-N 2.94Å; Q219-D222 WeakPolarHBondContact O-CB 3.11Å; Q219-D222 PolarHBondContact O-N 3.38Å; Q219-V223 PolarHBondContact O-N 2.95Å; Q219-F252 WeakPolarHBondContact CG-O 3.44Å; Q219-F253 HydrophobicContact CB-CD1 4.27Å; Q219-F253 HydrophobicContact CB-CE1 4.43Å; Q219-F253 HydrophobicContact CG-CD1 4.19Å; Q219-R254 PolarHBondContact NE2-O 2.92Å; Q219-A256 HydrophobicContact CG-CB 4.2Å |
| 220 | P | 95.6 | Very high | 94.1 | Very high | 42 Ų | 42 | 15.4 Ų | 15.4 | 27% | 0.273 | 9% | 0.092 | S | C | . | . | H | α-helix | trans | -58.5 | -44.5 | -179.4 | -26.5 | 36.4 | 0 | 0 | 0 | 112.7 | D222 V223 V224 F252 F253 | P220-D222 VanDerWaalsContact C-N 3.26Å; P220-D222 PolarHBondContact O-N 3.42Å; P220-V223 PolarHBondContact O-N 3.01Å; P220-V224 VanDerWaalsContact O-CG2 3.31Å; P220-V224 WeakPolarHBondContact O-CG2 3.24Å; P220-V224 PolarHBondContact O-N 3.39Å; P220-F252 HydrophobicContact CB-CB 4.03Å; P220-F252 HydrophobicContact CB-CD1 3.91Å; P220-F252 HydrophobicContact CB-CG 4.27Å; P220-F252 HydrophobicContact CG-CB 4.21Å; P220-F253 HydrophobicContact CG-CZ 4.49Å |
| 221 | A | 95.1 | Very high | 93.7 | Very high | 12 Ų | 12 | 16.6 Ų | 16.6 | 10% | 0.099 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -61.7 | -35.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | L169 R170 Q219 K225 | L169-A221 HydrophobicContact CB-CB 4.18Å; L169-A221 HydrophobicContact CD2-CB 4.06Å; L169-A221 HydrophobicContact CG-CB 4.01Å; R170-A221 HydrophobicContact CB-CB 4.13Å; Q219-A221 VanDerWaalsContact C-N 3.34Å; Q219-A221 PolarHBondContact O-N 2.94Å; A221-K225 VanDerWaalsContact O-CB 3.22Å; A221-K225 WeakPolarHBondContact O-CB 3.38Å; A221-K225 PolarHBondContact O-N 3.36Å |
| 222 | D | 94.7 | Very high | 92.8 | Very high | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -71.3 | -39.3 | 177.5 | -177.4 | 86.6 | 0 | 0 | 0 | 112.6 | K34 Q38 R170 T218 Q219 P220 K225 T226 R259 | K34-D222 WeakPolarHBondContact CE-OD2 3.46Å; K34-D222 IonicContact NZ-OD1 2.88Å; K34-D222 PolarHBondContact NZ-OD1 2.8Å; K34-D222 IonicContact NZ-OD2 2.88Å; K34-D222 PolarHBondContact NZ-OD2 2.81Å; Q38-D222 PolarHBondContact NE2-OD2 3.1Å; R170-D222 WeakPolarHBondContact CD-OD1 3.36Å; R170-D222 HydrophobicContact CG-CB 4.01Å; R170-D222 IonicContact CZ-OD1 2.96Å; R170-D222 IonicContact NE-OD1 3.58Å; R170-D222 IonicContact NH1-OD1 3.72Å; R170-D222 PolarHBondContact NH1-OD1 3.13Å; T218-D222 PolarHBondContact O-N 3.46Å; Q219-D222 WeakPolarHBondContact O-CB 3.11Å; Q219-D222 PolarHBondContact O-N 3.38Å; P220-D222 VanDerWaalsContact C-N 3.26Å; P220-D222 PolarHBondContact O-N 3.42Å; D222-K225 WeakPolarHBondContact O-CB 3.25Å; D222-K225 PolarHBondContact O-N 3.07Å; D222-T226 PolarHBondContact O-N 3.08Å; D222-T226 PolarHBondContact O-OG1 2.68Å; D222-T226 VanDerWaalsContact O-OG1 3.06Å; D222-R259 IonicContact OD2-NH1 3.79Å |
| 223 | V | 94.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.2 | -48.4 | 173.8 | 177.7 | 0 | 0 | 0 | 0 | 110.6 | Q38 Q219 P220 K225 T226 H227 I243 F252 R254 | Q38-V223 HydrophobicContact CG-CG2 4.23Å; Q219-V223 PolarHBondContact O-N 2.95Å; P220-V223 PolarHBondContact O-N 3.01Å; V223-K225 VanDerWaalsContact C-N 3.32Å; V223-K225 PolarHBondContact O-N 3.32Å; V223-T226 PolarHBondContact O-N 2.84Å; V223-T226 VanDerWaalsContact O-N 3.16Å; V223-H227 PolarHBondContact O-CD2 3.01Å; V223-H227 PolarHBondContact O-N 3.2Å; V223-I243 HydrophobicContact CG1-CD1 3.92Å; V223-F252 WeakPolarHBondContact CG2-O 3.45Å; V223-R254 WeakPolarHBondContact CG2-O 3.21Å |
| 224 | V | 94.1 | Very high | 91.3 | Very high | 7 Ų | 7 | 24.8 Ų | 24.8 | 4% | 0.042 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59 | -45 | 178.4 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | A166 P220 T226 H227 V228 T236 A239 V240 I243 F252 | A166-V224 HydrophobicContact CB-CB 4.43Å; A166-V224 HydrophobicContact CB-CG1 4.11Å; P220-V224 VanDerWaalsContact O-CG2 3.31Å; P220-V224 WeakPolarHBondContact O-CG2 3.24Å; P220-V224 PolarHBondContact O-N 3.39Å; V224-T226 PolarHBondContact O-N 2.86Å; V224-H227 PolarHBondContact O-N 3.18Å; V224-V228 HydrophobicContact CG1-CG2 4.43Å; V224-V228 WeakPolarHBondContact O-CG2 3.49Å; V224-V228 PolarHBondContact O-N 3.47Å; V224-V228 VanDerWaalsContact O-N 3.08Å; V224-T236 HydrophobicContact CG1-CG2 3.67Å; V224-A239 HydrophobicContact CG1-CB 4.28Å; V224-V240 HydrophobicContact CG1-CG2 4.07Å; V224-V240 HydrophobicContact CG2-CG2 3.65Å; V224-I243 HydrophobicContact CG2-CD1 3.95Å; V224-F252 HydrophobicContact CG2-CD1 4.27Å; V224-F252 HydrophobicContact CG2-CE1 3.88Å |
| 225 | K | 94 | Very high | 91 | Very high | 4 Ų | 4 | 33.4 Ų | 33.4 | 2% | 0.017 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -52.7 | -54.3 | 173.7 | 171.4 | -169.6 | 175.1 | 157.1 | 0 | 110.9 | T128 A166 T167 R170 A221 D222 V223 H227 V228 Q229 | T128-K225 VanDerWaalsContact CG2-NZ 3.29Å; A166-K225 HydrophobicContact CB-CB 3.76Å; T167-K225 HydrophobicContact CG2-CD 4.45Å; T167-K225 VanDerWaalsContact OG1-CD 3.23Å; T167-K225 WeakPolarHBondContact OG1-CD 3.37Å; T167-K225 WeakPolarHBondContact OG1-CE 3.42Å; T167-K225 WeakPolarHBondContact OG1-CG 3.27Å; T167-K225 PolarHBondContact OG1-NZ 2.76Å; R170-K225 VanDerWaalsContact CZ-NZ 3.3Å; A221-K225 VanDerWaalsContact O-CB 3.22Å; A221-K225 WeakPolarHBondContact O-CB 3.38Å; A221-K225 PolarHBondContact O-N 3.36Å; D222-K225 WeakPolarHBondContact O-CB 3.25Å; D222-K225 PolarHBondContact O-N 3.07Å; V223-K225 VanDerWaalsContact C-N 3.32Å; V223-K225 PolarHBondContact O-N 3.32Å; K225-H227 VanDerWaalsContact C-N 3.31Å; K225-H227 PolarHBondContact O-N 2.92Å; K225-V228 PolarHBondContact O-N 2.87Å; K225-Q229 VanDerWaalsContact CE-CD 3.43Å; K225-Q229 HydrophobicContact CG-CG 4.14Å; K225-Q229 WeakPolarHBondContact O-CB 3.45Å; K225-Q229 VanDerWaalsContact O-CG 3.27Å; K225-Q229 WeakPolarHBondContact O-CG 3.49Å; K225-Q229 PolarHBondContact O-N 3.46Å |
| 226 | T | 93.3 | Very high | 90.7 | Very high | 4 Ų | 4 | 35 Ų | 35 | 3% | 0.025 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.1 | -40.3 | -175.1 | -61.3 | 0 | 0 | 0 | 0 | 111.9 | T35 Q38 T39 D222 V223 V224 V230 | T35-T226 HydrophobicContact CG2-CG2 4.1Å; Q38-T226 HydrophobicContact CB-CG2 3.84Å; Q38-T226 PolarHBondContact OE1-OG1 3.27Å; T39-T226 HydrophobicContact CG2-CG2 3.5Å; T39-T226 VanDerWaalsContact CG2-CG2 3.5Å; D222-T226 PolarHBondContact O-N 3.08Å; D222-T226 PolarHBondContact O-OG1 2.68Å; D222-T226 VanDerWaalsContact O-OG1 3.06Å; V223-T226 PolarHBondContact O-N 2.84Å; V223-T226 VanDerWaalsContact O-N 3.16Å; V224-T226 PolarHBondContact O-N 2.86Å; T226-V230 WeakPolarHBondContact O-CB 3.46Å; T226-V230 WeakPolarHBondContact O-CG2 3.47Å; T226-V230 PolarHBondContact O-N 3.47Å |
| 227 | H | 91.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.5 | -44.1 | 175.8 | -88 | -96.9 | 0 | 0 | 0 | 113 | Q38 Q41 S42 V223 V224 K225 N231 A239 | Q38-H227 PolarHBondContact O-NE2 3.38Å; Q41-H227 PolarHBondContact OE1-NE2 2.97Å; S42-H227 PolarHBondContact OG-CE1 2.92Å; S42-H227 VanDerWaalsContact OG-CE1 3.27Å; S42-H227 PolarHBondContact OG-ND1 3.21Å; V223-H227 PolarHBondContact O-CD2 3.01Å; V223-H227 PolarHBondContact O-N 3.2Å; V224-H227 PolarHBondContact O-N 3.18Å; K225-H227 VanDerWaalsContact C-N 3.31Å; K225-H227 PolarHBondContact O-N 2.92Å; H227-N231 WeakPolarHBondContact O-CB 3.47Å; H227-N231 PolarHBondContact O-N 3.45Å; H227-N231 PolarHBondContact O-ND2 2.87Å; H227-A239 HydrophobicContact CB-CB 4.41Å |
| 228 | V | 92.4 | Very high | 90.1 | Very high | 4 Ų | 4 | 37.3 Ų | 37.3 | 2% | 0.024 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -70.7 | -38.7 | 179.8 | 174 | 0 | 0 | 0 | 0 | 111.7 | G163 V224 K225 V230 N231 A239 | G163-V228 VanDerWaalsContact N-CG1 3.26Å; V224-V228 HydrophobicContact CG1-CG2 4.43Å; V224-V228 WeakPolarHBondContact O-CG2 3.49Å; V224-V228 PolarHBondContact O-N 3.47Å; V224-V228 VanDerWaalsContact O-N 3.08Å; K225-V228 PolarHBondContact O-N 2.87Å; V228-V230 VanDerWaalsContact C-N 3.3Å; V228-V230 PolarHBondContact O-N 2.97Å; V228-N231 CarbonylContact O-C 3.34Å; V228-N231 PolarHBondContact O-N 3.09Å; V228-A239 HydrophobicContact CG2-CB 3.63Å |
| 229 | Q | 92.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -70.8 | -27.4 | -179.1 | -68.9 | -168.8 | -30.8 | 0 | 0 | 113.3 | V129 T132 R133 S162 T167 K225 | V129-Q229 HydrophobicContact CG2-CB 4.37Å; V129-Q229 HydrophobicContact CG2-CG 3.99Å; T132-Q229 WeakPolarHBondContact OG1-CB 3.43Å; R133-Q229 PolarHBondContact NE-O 3.44Å; S162-Q229 WeakPolarHBondContact O-CG 3.14Å; T167-Q229 PolarHBondContact OG1-NE2 2.98Å; K225-Q229 VanDerWaalsContact CE-CD 3.43Å; K225-Q229 HydrophobicContact CG-CG 4.14Å; K225-Q229 WeakPolarHBondContact O-CB 3.45Å; K225-Q229 VanDerWaalsContact O-CG 3.27Å; K225-Q229 WeakPolarHBondContact O-CG 3.49Å; K225-Q229 PolarHBondContact O-N 3.46Å |
| 230 | V | 90.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -85.6 | -32 | 175.4 | 172.9 | 0 | 0 | 0 | 0 | 112 | T39 C136 Y139 T226 V228 | T39-V230 HydrophobicContact CG2-CB 4.22Å; T39-V230 HydrophobicContact CG2-CG1 4.34Å; T39-V230 HydrophobicContact CG2-CG2 3.64Å; C136-V230 HydrophobicContact CB-CG1 4.27Å; C136-V230 HydrophobicContact CB-CG2 3.81Å; Y139-V230 HydrophobicContact CE2-CG1 4.36Å; Y139-V230 PolarHBondContact OH-O 3.5Å; T226-V230 WeakPolarHBondContact O-CB 3.46Å; T226-V230 WeakPolarHBondContact O-CG2 3.47Å; T226-V230 PolarHBondContact O-N 3.47Å; V228-V230 VanDerWaalsContact C-N 3.3Å; V228-V230 PolarHBondContact O-N 2.97Å |
| 231 | N | 86.7 | Confident | 89.5 | Confident | 25 Ų | 25 | 47 Ų | 47 | 13% | 0.134 | 23% | 0.227 | C | C | . | . | trans | -115.7 | 96.1 | 179.1 | -54.4 | -71.8 | 0 | 0 | 0 | 110.1 | S42 R138 H227 V228 Q233 L234 | S42-N231 WeakPolarHBondContact CB-ND2 3.31Å; S42-N231 PolarHBondContact OG-ND2 2.88Å; R138-N231 PolarHBondContact NH1-OD1 3.4Å; H227-N231 WeakPolarHBondContact O-CB 3.47Å; H227-N231 PolarHBondContact O-N 3.45Å; H227-N231 PolarHBondContact O-ND2 2.87Å; V228-N231 CarbonylContact O-C 3.34Å; V228-N231 PolarHBondContact O-N 3.09Å; N231-Q233 PolarHBondContact O-N 2.9Å; N231-Q233 VanDerWaalsContact O-N 3.09Å; N231-L234 HydrophobicContact CB-CB 4.35Å; N231-L234 HydrophobicContact CB-CD1 3.7Å; N231-L234 HydrophobicContact CB-CG 3.97Å; N231-L234 PolarHBondContact O-N 3.32Å; N231-L234 VanDerWaalsContact O-N 3.08Å | ||
| 232 | P | 72.8 | Confident | 89.1 | Confident | 44 Ų | 44 | 49.7 Ų | 49.7 | 29% | 0.286 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -23.4 | -173.3 | 27.7 | -39 | 0 | 0 | 0 | 114.2 | E155 A159 | E155-P232 HydrophobicContact CG-CG 4.23Å; E155-P232 WeakPolarHBondContact OE2-CB 3.43Å; E155-P232 WeakPolarHBondContact OE2-CG 3.42Å; A159-P232 HydrophobicContact CB-CB 4.23Å |
| 233 | Q | 77.7 | Confident | 88.8 | Confident | 181 Ų | 181 | 49.7 Ų | 49.7 | 85% | 0.846 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -18.8 | -179.6 | -66.2 | -179.8 | -20.5 | 0 | 0 | 113.2 | N231 | N231-Q233 PolarHBondContact O-N 2.9Å; N231-Q233 VanDerWaalsContact O-N 3.09Å |
| 234 | L | 82.9 | Confident | 88.6 | Confident | 48 Ų | 48 | 56.2 Ų | 56.2 | 25% | 0.251 | 26% | 0.26 | S | S | . | . | trans | -83.4 | 121.9 | -177.3 | -72.1 | 176.5 | 0 | 0 | 0 | 110.9 | N231 E238 | N231-L234 HydrophobicContact CB-CB 4.35Å; N231-L234 HydrophobicContact CB-CD1 3.7Å; N231-L234 HydrophobicContact CB-CG 3.97Å; N231-L234 PolarHBondContact O-N 3.32Å; N231-L234 VanDerWaalsContact O-N 3.08Å; L234-E238 HydrophobicContact CD2-CB 4.32Å | ||
| 235 | R | 87.1 | Confident | 88.3 | Confident | 180 Ų | 180 | 60.7 Ų | 60.7 | 68% | 0.679 | 29% | 0.288 | S | S | * | . | trans | -71.3 | 158.4 | 166.7 | -63.6 | 179.8 | 174.3 | -173.9 | -0.3 | 110.3 | T237 E238 A239 | R235-T237 VanDerWaalsContact C-N 3.29Å; R235-T237 PolarHBondContact O-N 2.94Å; R235-E238 HydrophobicContact CB-CB 4.42Å; R235-E238 HydrophobicContact CB-CG 4.18Å; R235-E238 PolarHBondContact N-OE2 2.88Å; R235-E238 PolarHBondContact O-N 3.25Å; R235-A239 PolarHBondContact O-N 3.43Å | ||
| 236 | T | 87.9 | Confident | 87.9 | Confident | 35 Ų | 35 | 62.1 Ų | 62.1 | 22% | 0.215 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.7 | -39.7 | 179.9 | -56.1 | 0 | 0 | 0 | 0 | 112.4 | A166 V224 A239 V240 | A166-T236 HydrophobicContact CB-CG2 4.49Å; V224-T236 HydrophobicContact CG1-CG2 3.67Å; T236-A239 PolarHBondContact O-N 3.06Å; T236-V240 WeakPolarHBondContact O-CG2 3.22Å; T236-V240 PolarHBondContact O-N 2.99Å; T236-V240 VanDerWaalsContact O-N 3.08Å |
| 237 | T | 89.1 | Confident | 87.3 | Confident | 108 Ų | 108 | 64.5 Ų | 64.5 | 66% | 0.663 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -67.3 | -41.2 | 177.4 | 48.5 | 0 | 0 | 0 | 0 | 112.4 | R235 V240 R241 | R235-T237 VanDerWaalsContact C-N 3.29Å; R235-T237 PolarHBondContact O-N 2.94Å; T237-V240 PolarHBondContact O-N 3.12Å; T237-R241 PolarHBondContact O-N 3.3Å |
| 238 | E | 89.9 | Confident | 87.1 | Confident | 82 Ų | 82 | 65.7 Ų | 65.7 | 38% | 0.383 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.9 | -41.3 | 176.1 | -68.2 | 163.8 | -175.1 | 0 | 0 | 111.2 | L234 R235 V240 R241 Y242 | L234-E238 HydrophobicContact CD2-CB 4.32Å; R235-E238 HydrophobicContact CB-CB 4.42Å; R235-E238 HydrophobicContact CB-CG 4.18Å; R235-E238 PolarHBondContact N-OE2 2.88Å; R235-E238 PolarHBondContact O-N 3.25Å; E238-V240 PolarHBondContact O-N 3.11Å; E238-R241 PolarHBondContact O-N 2.67Å; E238-Y242 VanDerWaalsContact O-CB 3.25Å; E238-Y242 WeakPolarHBondContact O-CB 3.16Å; E238-Y242 PolarHBondContact O-N 2.71Å |
| 239 | A | 89.6 | Confident | 87 | Confident | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.5 | -43.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V224 H227 V228 R235 T236 Y242 I243 | V224-A239 HydrophobicContact CG1-CB 4.28Å; H227-A239 HydrophobicContact CB-CB 4.41Å; V228-A239 HydrophobicContact CG2-CB 3.63Å; R235-A239 PolarHBondContact O-N 3.43Å; T236-A239 PolarHBondContact O-N 3.06Å; A239-Y242 PolarHBondContact O-N 2.94Å; A239-I243 WeakPolarHBondContact O-CB 3.49Å; A239-I243 VanDerWaalsContact O-CD1 3.32Å; A239-I243 WeakPolarHBondContact O-CD1 3.33Å; A239-I243 WeakPolarHBondContact O-CG1 3.5Å; A239-I243 PolarHBondContact O-N 3.34Å |
| 240 | V | 91.9 | Very high | 86.7 | Confident | 61 Ų | 61 | 76.3 Ų | 76.3 | 37% | 0.37 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60 | -48.4 | 175 | 171 | 0 | 0 | 0 | 0 | 110.8 | V224 T236 T237 E238 Y242 I243 Y244 F252 | V224-V240 HydrophobicContact CG1-CG2 4.07Å; V224-V240 HydrophobicContact CG2-CG2 3.65Å; T236-V240 WeakPolarHBondContact O-CG2 3.22Å; T236-V240 PolarHBondContact O-N 2.99Å; T236-V240 VanDerWaalsContact O-N 3.08Å; T237-V240 PolarHBondContact O-N 3.12Å; E238-V240 PolarHBondContact O-N 3.11Å; V240-Y242 PolarHBondContact O-N 3.26Å; V240-I243 PolarHBondContact O-N 3.4Å; V240-Y244 WeakPolarHBondContact O-CB 3.35Å; V240-Y244 PolarHBondContact O-N 2.96Å; V240-F252 HydrophobicContact CG1-CE1 4.42Å; V240-F252 HydrophobicContact CG1-CZ 4.07Å |
| 241 | R | 90.8 | Very high | 86.6 | Confident | 191 Ų | 191 | 76.4 Ų | 76.4 | 72% | 0.721 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -59.7 | -48 | 178.3 | -173.4 | 177.6 | -176.1 | 171.6 | 1.7 | 110.9 | T237 E238 Y244 T245 | T237-R241 PolarHBondContact O-N 3.3Å; E238-R241 PolarHBondContact O-N 2.67Å; R241-Y244 PolarHBondContact O-N 3.01Å; R241-T245 HydrophobicContact CG-CG2 4.28Å; R241-T245 WeakPolarHBondContact O-CG2 3.36Å; R241-T245 PolarHBondContact O-N 2.87Å; R241-T245 PolarHBondContact O-OG1 3.35Å |
| 242 | Y | 87.6 | Confident | 86.8 | Confident | 69 Ų | 69 | 76.2 Ų | 76.2 | 27% | 0.271 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.1 | -48.1 | 179.5 | 174.4 | -101.2 | 0 | 0 | 0 | 112.5 | Q41 E238 A239 V240 Y244 T245 A246 | Q41-Y242 PolarHBondContact O-OH 3.19Å; E238-Y242 VanDerWaalsContact O-CB 3.25Å; E238-Y242 WeakPolarHBondContact O-CB 3.16Å; E238-Y242 PolarHBondContact O-N 2.71Å; A239-Y242 PolarHBondContact O-N 2.94Å; V240-Y242 PolarHBondContact O-N 3.26Å; Y242-Y244 VanDerWaalsContact C-N 3.32Å; Y242-Y244 PolarHBondContact O-N 2.97Å; Y242-T245 PolarHBondContact O-N 2.91Å; Y242-T245 PolarHBondContact O-OG1 2.99Å; Y242-A246 WeakPolarHBondContact O-CB 3.3Å; Y242-A246 PolarHBondContact O-N 2.92Å |
| 243 | I | 88.9 | Confident | 87.7 | Confident | 0 Ų | 0 | 78.9 Ų | 78.9 | 0% | 0 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.2 | -46.2 | 178.7 | -67 | 159.6 | 0 | 0 | 0 | 110 | V223 V224 A239 V240 H247 F252 | V223-I243 HydrophobicContact CG1-CD1 3.92Å; V224-I243 HydrophobicContact CG2-CD1 3.95Å; A239-I243 WeakPolarHBondContact O-CB 3.49Å; A239-I243 VanDerWaalsContact O-CD1 3.32Å; A239-I243 WeakPolarHBondContact O-CD1 3.33Å; A239-I243 WeakPolarHBondContact O-CG1 3.5Å; A239-I243 PolarHBondContact O-N 3.34Å; V240-I243 PolarHBondContact O-N 3.4Å; I243-H247 PolarHBondContact O-N 2.84Å; I243-F252 HydrophobicContact CB-CE1 4.15Å; I243-F252 HydrophobicContact CB-CE2 4.4Å; I243-F252 HydrophobicContact CB-CZ 3.98Å; I243-F252 HydrophobicContact CD1-CE1 4.21Å; I243-F252 HydrophobicContact CG2-CD1 4.01Å; I243-F252 HydrophobicContact CG2-CD2 3.94Å; I243-F252 HydrophobicContact CG2-CE1 3.89Å; I243-F252 HydrophobicContact CG2-CE2 3.81Å; I243-F252 HydrophobicContact CG2-CG 4.04Å; I243-F252 HydrophobicContact CG2-CZ 3.78Å |
| 244 | Y | 90.3 | Very high | 88.2 | Confident | 138 Ų | 138 | 72 Ų | 72 | 54% | 0.541 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.4 | -45.8 | -179.5 | -174.8 | -100.3 | 0 | 0 | 0 | 112.4 | V240 R241 Y242 G248 L249 F252 | V240-Y244 WeakPolarHBondContact O-CB 3.35Å; V240-Y244 PolarHBondContact O-N 2.96Å; R241-Y244 PolarHBondContact O-N 3.01Å; Y242-Y244 VanDerWaalsContact C-N 3.32Å; Y242-Y244 PolarHBondContact O-N 2.97Å; Y244-G248 WeakPolarHBondContact O-CA 3.39Å; Y244-G248 PolarHBondContact O-N 2.9Å; Y244-L249 HydrophobicContact CD2-CD2 4.21Å; Y244-L249 HydrophobicContact CE2-CD2 3.94Å; Y244-L249 HydrophobicContact CE2-CG 4.23Å; Y244-F252 HydrophobicContact CD2-CE2 4.32Å |
| 245 | T | 88.1 | Confident | 88.5 | Confident | 100 Ų | 100 | 70.1 Ų | 70.1 | 61% | 0.613 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -70.7 | -35.7 | -178.7 | 53.6 | 0 | 0 | 0 | 0 | 112.8 | R241 Y242 | R241-T245 HydrophobicContact CG-CG2 4.28Å; R241-T245 WeakPolarHBondContact O-CG2 3.36Å; R241-T245 PolarHBondContact O-N 2.87Å; R241-T245 PolarHBondContact O-OG1 3.35Å; Y242-T245 PolarHBondContact O-N 2.91Å; Y242-T245 PolarHBondContact O-OG1 2.99Å |
| 246 | A | 83.8 | Confident | 88.7 | Confident | 34 Ų | 34 | 62.2 Ų | 62.2 | 28% | 0.281 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -85.5 | -30.7 | -176 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y242 | Y242-A246 WeakPolarHBondContact O-CB 3.3Å; Y242-A246 PolarHBondContact O-N 2.92Å |
| 247 | H | 82.1 | Confident | 89 | Confident | 54 Ų | 54 | 65.1 Ų | 65.1 | 25% | 0.25 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -135.9 | 0.2 | -170.1 | -58.8 | 88.8 | 0 | 0 | 0 | 114.4 | I243 G251 | I243-H247 PolarHBondContact O-N 2.84Å; H247-G251 PolarHBondContact O-N 2.87Å |
| 248 | G | 87.4 | Confident | 89.2 | Confident | 26 Ų | 26 | 60.1 Ų | 60.1 | 27% | 0.268 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | -155.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y244 E250 G251 | Y244-G248 WeakPolarHBondContact O-CA 3.39Å; Y244-G248 PolarHBondContact O-N 2.9Å; G248-E250 VanDerWaalsContact C-N 3.33Å; G248-E250 PolarHBondContact O-N 3.28Å; G248-G251 PolarHBondContact O-N 3.42Å |
| 249 | L | 88.9 | Confident | 89.3 | Confident | 124 Ų | 124 | 56.8 Ų | 56.8 | 65% | 0.649 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -67.5 | -31.4 | -179.4 | -67.5 | 174.9 | 0 | 0 | 0 | 113.2 | Y244 G251 F252 | Y244-L249 HydrophobicContact CD2-CD2 4.21Å; Y244-L249 HydrophobicContact CE2-CD2 3.94Å; Y244-L249 HydrophobicContact CE2-CG 4.23Å; L249-G251 PolarHBondContact O-N 2.89Å; L249-F252 PolarHBondContact O-N 3.46Å |
| 250 | E | 87.1 | Confident | 89.5 | Confident | 103 Ų | 103 | 57.7 Ų | 57.7 | 48% | 0.481 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -63.1 | -28.5 | 178.4 | -166.1 | -173 | 145.9 | 0 | 0 | 111.9 | R50 G248 F252 F253 R254 | R50-E250 IonicContact CZ-OE1 2.68Å; R50-E250 IonicContact CZ-OE2 3.85Å; R50-E250 IonicContact NH1-OE1 2.66Å; R50-E250 PolarHBondContact NH1-OE1 3Å; R50-E250 IonicContact NH1-OE2 2.71Å; R50-E250 PolarHBondContact NH1-OE2 2.9Å; R50-E250 IonicContact NH2-OE2 3.76Å; G248-E250 VanDerWaalsContact C-N 3.33Å; G248-E250 PolarHBondContact O-N 3.28Å; E250-F252 PolarHBondContact O-N 2.98Å; E250-F253 PolarHBondContact O-N 3.26Å; E250-R254 PolarHBondContact O-N 3.44Å |
| 251 | G | 87.2 | Confident | 89.6 | Confident | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -54.5 | -38.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | H247 G248 L249 F253 R254 | H247-G251 PolarHBondContact O-N 2.87Å; G248-G251 PolarHBondContact O-N 3.42Å; L249-G251 PolarHBondContact O-N 2.89Å; G251-F253 PolarHBondContact O-N 3.44Å; G251-R254 PolarHBondContact O-N 2.89Å |
| 252 | F | 91.4 | Very high | 89.7 | Confident | 22 Ų | 22 | 50.6 Ų | 50.6 | 10% | 0.096 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -72.3 | -14.5 | 179.6 | -67.4 | -80.2 | 0 | 0 | 0 | 114 | Q219 P220 V223 V224 V240 I243 Y244 L249 E250 | Q219-F252 WeakPolarHBondContact CG-O 3.44Å; P220-F252 HydrophobicContact CB-CB 4.03Å; P220-F252 HydrophobicContact CB-CD1 3.91Å; P220-F252 HydrophobicContact CB-CG 4.27Å; P220-F252 HydrophobicContact CG-CB 4.21Å; V223-F252 WeakPolarHBondContact CG2-O 3.45Å; V224-F252 HydrophobicContact CG2-CD1 4.27Å; V224-F252 HydrophobicContact CG2-CE1 3.88Å; V240-F252 HydrophobicContact CG1-CE1 4.42Å; V240-F252 HydrophobicContact CG1-CZ 4.07Å; I243-F252 HydrophobicContact CB-CE1 4.15Å; I243-F252 HydrophobicContact CB-CE2 4.4Å; I243-F252 HydrophobicContact CB-CZ 3.98Å; I243-F252 HydrophobicContact CD1-CE1 4.21Å; I243-F252 HydrophobicContact CG2-CD1 4.01Å; I243-F252 HydrophobicContact CG2-CD2 3.94Å; I243-F252 HydrophobicContact CG2-CE1 3.89Å; I243-F252 HydrophobicContact CG2-CE2 3.81Å; I243-F252 HydrophobicContact CG2-CG 4.04Å; I243-F252 HydrophobicContact CG2-CZ 3.78Å; Y244-F252 HydrophobicContact CD2-CE2 4.32Å; L249-F252 PolarHBondContact O-N 3.46Å; E250-F252 PolarHBondContact O-N 2.98Å |
| 253 | F | 91.8 | Very high | 89.8 | Confident | 100 Ų | 100 | 50.9 Ų | 50.9 | 44% | 0.439 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -105 | 3.3 | 179.2 | -69.6 | -86.9 | 0 | 0 | 0 | 113.1 | Q219 P220 E250 G251 G255 A256 | Q219-F253 HydrophobicContact CB-CD1 4.27Å; Q219-F253 HydrophobicContact CB-CE1 4.43Å; Q219-F253 HydrophobicContact CG-CD1 4.19Å; P220-F253 HydrophobicContact CG-CZ 4.49Å; E250-F253 PolarHBondContact O-N 3.26Å; G251-F253 PolarHBondContact O-N 3.44Å; F253-G255 PolarHBondContact O-N 2.92Å; F253-A256 WeakPolarHBondContact O-CB 3.38Å; F253-A256 PolarHBondContact O-N 3.16Å |
| 254 | R | 88.6 | Confident | 90 | Very high | 36 Ų | 36 | 53.1 Ų | 53.1 | 14% | 0.136 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 135.9 | 172.5 | -80.5 | -137 | 179.3 | 157.3 | 4.2 | 111.8 | Q38 Q219 V223 E250 G251 A256 | Q38-R254 WeakPolarHBondContact CG-O 3.38Å; Q38-R254 PolarHBondContact NE2-O 3.25Å; Q219-R254 PolarHBondContact NE2-O 2.92Å; V223-R254 WeakPolarHBondContact CG2-O 3.21Å; E250-R254 PolarHBondContact O-N 3.44Å; G251-R254 PolarHBondContact O-N 2.89Å; R254-A256 VanDerWaalsContact C-N 3.28Å; R254-A256 PolarHBondContact O-N 3.45Å |
| 255 | G | 89.1 | Confident | 90.1 | Very high | 8 Ų | 8 | 50.4 Ų | 50.4 | 8% | 0.082 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77 | 7.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | F253 P258 R259 | F253-G255 PolarHBondContact O-N 2.92Å; G255-P258 WeakPolarHBondContact O-CD 3.28Å; G255-P258 WeakPolarHBondContact O-CG 3.34Å; G255-R259 WeakPolarHBondContact O-CB 3.11Å; G255-R259 PolarHBondContact O-N 3.28Å |
| 256 | A | 92.3 | Very high | 90.2 | Very high | 14 Ų | 14 | 48.5 Ų | 48.5 | 12% | 0.116 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62 | -43.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L216 Q219 F253 R254 R259 C260 | L216-A256 HydrophobicContact CD2-CB 4.09Å; Q219-A256 HydrophobicContact CG-CB 4.2Å; F253-A256 WeakPolarHBondContact O-CB 3.38Å; F253-A256 PolarHBondContact O-N 3.16Å; R254-A256 VanDerWaalsContact C-N 3.28Å; R254-A256 PolarHBondContact O-N 3.45Å; A256-R259 WeakPolarHBondContact O-CB 3.24Å; A256-R259 PolarHBondContact O-N 2.95Å; A256-C260 WeakPolarHBondContact O-CB 3.48Å; A256-C260 PolarHBondContact O-N 3.08Å; A256-C260 PolarHBondContact O-SG 3.47Å |
| 257 | V | 93 | Very high | 90.4 | Very high | 97 Ų | 97 | 48.5 Ų | 48.5 | 59% | 0.588 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -57 | -58.7 | 178.7 | 176.4 | 0 | 0 | 0 | 0 | 112.4 | M53 R259 C260 L261 | M53-V257 HydrophobicContact CE-CG1 4.41Å; M53-V257 HydrophobicContact SD-CG1 4.08Å; V257-R259 PolarHBondContact O-N 3.35Å; V257-C260 PolarHBondContact O-N 2.96Å; V257-L261 WeakPolarHBondContact O-CB 3.47Å; V257-L261 PolarHBondContact O-N 2.92Å |
| 258 | P | 92.8 | Very high | 90.8 | Very high | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.013 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.1 | -30.4 | 179.6 | 23.9 | -34.4 | 0 | 0 | 0 | 112.5 | K34 L37 M53 G255 R262 | K34-P258 HydrophobicContact CB-CB 4.07Å; K34-P258 HydrophobicContact CB-CG 3.8Å; K34-P258 HydrophobicContact CG-CG 4.27Å; L37-P258 HydrophobicContact CD1-CG 4.05Å; M53-P258 HydrophobicContact SD-CB 4.22Å; M53-P258 HydrophobicContact SD-CG 4.47Å; G255-P258 WeakPolarHBondContact O-CD 3.28Å; G255-P258 WeakPolarHBondContact O-CG 3.34Å; P258-R262 VanDerWaalsContact O-CB 3.29Å; P258-R262 WeakPolarHBondContact O-CB 3.49Å; P258-R262 PolarHBondContact O-N 3.36Å |
| 259 | R | 93.1 | Very high | 90.9 | Very high | 12 Ų | 12 | 48.8 Ų | 48.8 | 5% | 0.045 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.8 | -47.9 | 174.1 | -175.3 | -176.6 | 180 | 170.3 | -3.1 | 112 | K34 S215 T218 D222 G255 A256 V257 R262 R263 | K34-R259 HydrophobicContact CD-CB 4.21Å; S215-R259 PolarHBondContact O-NH1 3.42Å; T218-R259 PolarHBondContact O-NH1 3.18Å; T218-R259 PolarHBondContact OG1-NH2 3.14Å; D222-R259 IonicContact OD2-NH1 3.79Å; G255-R259 WeakPolarHBondContact O-CB 3.11Å; G255-R259 PolarHBondContact O-N 3.28Å; A256-R259 WeakPolarHBondContact O-CB 3.24Å; A256-R259 PolarHBondContact O-N 2.95Å; V257-R259 PolarHBondContact O-N 3.35Å; R259-R262 PolarHBondContact O-N 3.17Å; R259-R263 WeakPolarHBondContact O-CG 3.43Å; R259-R263 PolarHBondContact O-N 3.27Å; R259-R263 VanDerWaalsContact O-N 3.13Å |
| 260 | C | 94.2 | Very high | 90.8 | Very high | 20 Ų | 20 | 46 Ų | 46 | 14% | 0.135 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64.9 | -44.9 | 178.6 | -65.4 | 0 | 0 | 0 | 0 | 110.4 | V212 A256 V257 R262 R263 T264 | V212-C260 HydrophobicContact CG2-CB 4.28Å; A256-C260 WeakPolarHBondContact O-CB 3.48Å; A256-C260 PolarHBondContact O-N 3.08Å; A256-C260 PolarHBondContact O-SG 3.47Å; V257-C260 PolarHBondContact O-N 2.96Å; C260-R262 VanDerWaalsContact C-N 3.35Å; C260-R262 PolarHBondContact O-N 3.43Å; C260-R263 WeakPolarHBondContact O-CB 3.12Å; C260-R263 PolarHBondContact O-N 3.2Å; C260-T264 PolarHBondContact O-N 3.46Å; C260-T264 PolarHBondContact O-OG1 3.49Å |
| 261 | L | 94.2 | Very high | 90.8 | Very high | 71 Ų | 71 | 43.7 Ų | 43.7 | 37% | 0.372 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -56.5 | -48.3 | 176.8 | -177.6 | 58.9 | 0 | 0 | 0 | 111.6 | L30 V257 R263 T264 M265 | L30-L261 HydrophobicContact CD1-CD2 4.35Å; L30-L261 HydrophobicContact CD1-CG 4.12Å; L30-L261 HydrophobicContact CD2-CD2 3.83Å; L30-L261 HydrophobicContact CD2-CG 4.46Å; V257-L261 WeakPolarHBondContact O-CB 3.47Å; V257-L261 PolarHBondContact O-N 2.92Å; L261-R263 VanDerWaalsContact C-N 3.28Å; L261-R263 PolarHBondContact O-N 3.07Å; L261-T264 PolarHBondContact O-N 3.16Å; L261-M265 HydrophobicContact CD1-CG 4.1Å; L261-M265 HydrophobicContact CD1-SD 4.12Å; L261-M265 HydrophobicContact CG-CG 4.4Å; L261-M265 HydrophobicContact CG-SD 4Å; L261-M265 WeakPolarHBondContact O-CB 3.34Å; L261-M265 VanDerWaalsContact O-CG 3.29Å; L261-M265 WeakPolarHBondContact O-CG 3.24Å; L261-M265 PolarHBondContact O-N 3.34Å |
| 262 | R | 92.2 | Very high | 90.8 | Very high | 31 Ų | 31 | 47.1 Ų | 47.1 | 12% | 0.117 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.8 | -40.5 | 175.7 | -179.1 | -175.3 | -177.6 | -65.8 | -0.8 | 112.3 | F27 L30 D31 P258 R259 C260 M266 | F27-R262 HydrophobicContact CB-CG 4.12Å; L30-R262 HydrophobicContact CB-CB 4.25Å; L30-R262 HydrophobicContact CD1-CB 3.88Å; D31-R262 WeakPolarHBondContact OD1-CD 3.29Å; D31-R262 IonicContact OD1-CZ 3.01Å; D31-R262 IonicContact OD1-NE 3.7Å; D31-R262 PolarHBondContact OD1-NE 3.35Å; D31-R262 IonicContact OD2-NE 2.67Å; D31-R262 IonicContact OD2-NH2 3.28Å; P258-R262 VanDerWaalsContact O-CB 3.29Å; P258-R262 WeakPolarHBondContact O-CB 3.49Å; P258-R262 PolarHBondContact O-N 3.36Å; R259-R262 PolarHBondContact O-N 3.17Å; C260-R262 VanDerWaalsContact C-N 3.35Å; C260-R262 PolarHBondContact O-N 3.43Å; R262-M266 PolarHBondContact NH1-SD 2.77Å; R262-M266 WeakPolarHBondContact O-CB 3.35Å; R262-M266 WeakPolarHBondContact O-CG 3.38Å; R262-M266 PolarHBondContact O-N 3.02Å |
| 263 | R | 90.4 | Very high | 90.5 | Very high | 75 Ų | 75 | 49.5 Ų | 49.5 | 28% | 0.283 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66.6 | -46.8 | 177.8 | -71.7 | -62.4 | -167.7 | -146.2 | 3.3 | 111.7 | R259 C260 L261 M266 A267 | R259-R263 WeakPolarHBondContact O-CG 3.43Å; R259-R263 PolarHBondContact O-N 3.27Å; R259-R263 VanDerWaalsContact O-N 3.13Å; C260-R263 WeakPolarHBondContact O-CB 3.12Å; C260-R263 PolarHBondContact O-N 3.2Å; L261-R263 VanDerWaalsContact C-N 3.28Å; L261-R263 PolarHBondContact O-N 3.07Å; R263-M266 PolarHBondContact O-N 2.95Å; R263-A267 PolarHBondContact O-N 2.66Å |
| 264 | T | 92.3 | Very high | 90.1 | Very high | 48 Ų | 48 | 50.5 Ų | 50.5 | 29% | 0.294 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.2 | -45.8 | 177.7 | -56.7 | 0 | 0 | 0 | 0 | 111.2 | V208 C260 L261 M266 A267 A268 | V208-T264 HydrophobicContact CG1-CG2 3.91Å; V208-T264 HydrophobicContact CG2-CG2 4.47Å; C260-T264 PolarHBondContact O-N 3.46Å; C260-T264 PolarHBondContact O-OG1 3.49Å; L261-T264 PolarHBondContact O-N 3.16Å; T264-M266 PolarHBondContact O-N 3.33Å; T264-A267 PolarHBondContact O-N 3.07Å; T264-A268 WeakPolarHBondContact O-CB 3.48Å; T264-A268 PolarHBondContact O-N 2.95Å |
| 265 | M | 92.3 | Very high | 89.9 | Confident | 80 Ų | 80 | 52 Ų | 52 | 39% | 0.394 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.6 | -38.4 | 178 | -67.9 | -179.8 | 81.6 | 0 | 0 | 112.6 | F27 L30 L261 A268 M269 | F27-M265 HydrophobicContact CD1-CB 4.18Å; F27-M265 HydrophobicContact CD1-CE 4.26Å; F27-M265 HydrophobicContact CD1-SD 4.28Å; F27-M265 HydrophobicContact CE1-CB 3.47Å; F27-M265 VanDerWaalsContact CE1-CB 3.47Å; F27-M265 HydrophobicContact CE1-CE 3.71Å; F27-M265 HydrophobicContact CE1-CG 4.36Å; F27-M265 HydrophobicContact CE1-SD 4.07Å; F27-M265 HydrophobicContact CZ-CB 3.79Å; L30-M265 HydrophobicContact CD1-SD 3.74Å; L261-M265 HydrophobicContact CD1-CG 4.1Å; L261-M265 HydrophobicContact CD1-SD 4.12Å; L261-M265 HydrophobicContact CG-CG 4.4Å; L261-M265 HydrophobicContact CG-SD 4Å; L261-M265 WeakPolarHBondContact O-CB 3.34Å; L261-M265 VanDerWaalsContact O-CG 3.29Å; L261-M265 WeakPolarHBondContact O-CG 3.24Å; L261-M265 PolarHBondContact O-N 3.34Å; M265-A268 PolarHBondContact O-N 3.38Å; M265-M269 WeakPolarHBondContact O-CB 3.27Å; M265-M269 PolarHBondContact O-N 2.67Å |
| 266 | M | 89.3 | Confident | 89.7 | Confident | 61 Ų | 61 | 57.1 Ų | 57.1 | 30% | 0.3 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.7 | -42.6 | 173 | -86.9 | -168 | 52.1 | 0 | 0 | 112.4 | F27 R262 R263 T264 M269 A270 | F27-M266 HydrophobicContact CD2-CG 3.57Å; F27-M266 HydrophobicContact CE2-CB 4.33Å; F27-M266 HydrophobicContact CE2-CG 3.51Å; F27-M266 HydrophobicContact CZ-CG 4.47Å; R262-M266 PolarHBondContact NH1-SD 2.77Å; R262-M266 WeakPolarHBondContact O-CB 3.35Å; R262-M266 WeakPolarHBondContact O-CG 3.38Å; R262-M266 PolarHBondContact O-N 3.02Å; R263-M266 PolarHBondContact O-N 2.95Å; T264-M266 PolarHBondContact O-N 3.33Å; M266-M269 PolarHBondContact O-N 3.31Å; M266-A270 PolarHBondContact O-N 2.72Å |
| 267 | A | 88.4 | Confident | 89.2 | Confident | 33 Ų | 33 | 62.3 Ų | 62.3 | 27% | 0.273 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62 | -48.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | F204 V208 R263 T264 M269 A270 W271 | F204-A267 VanDerWaalsContact CE2-C 3.49Å; F204-A267 HydrophobicContact CE2-CB 3.96Å; F204-A267 WeakPolarHBondContact CE2-O 3.07Å; F204-A267 HydrophobicContact CZ-CB 4.47Å; V208-A267 HydrophobicContact CG2-CB 4.03Å; R263-A267 PolarHBondContact O-N 2.66Å; T264-A267 PolarHBondContact O-N 3.07Å; A267-M269 VanDerWaalsContact C-N 3.31Å; A267-M269 PolarHBondContact O-N 3.05Å; A267-A270 PolarHBondContact O-N 3.27Å; A267-A270 VanDerWaalsContact O-N 3.12Å; A267-W271 PolarHBondContact O-N 3.07Å |
| 268 | A | 90.1 | Very high | 88.5 | Confident | 38 Ų | 38 | 60.1 Ų | 60.1 | 31% | 0.314 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -57.8 | -42.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | F204 T264 M265 W271 T272 | F204-A268 HydrophobicContact CZ-CB 4.06Å; T264-A268 WeakPolarHBondContact O-CB 3.48Å; T264-A268 PolarHBondContact O-N 2.95Å; M265-A268 PolarHBondContact O-N 3.38Å; A268-W271 WeakPolarHBondContact O-CB 3.47Å; A268-W271 PolarHBondContact O-N 3.32Å; A268-T272 WeakPolarHBondContact O-CG2 3.29Å; A268-T272 PolarHBondContact O-N 3.36Å; A268-T272 PolarHBondContact O-OG1 3.15Å |
| 269 | M | 90.4 | Very high | 87.9 | Confident | 49 Ų | 49 | 62.1 Ų | 62.1 | 24% | 0.241 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.9 | -43.6 | 174.6 | -179.1 | -174.8 | 174.4 | 0 | 0 | 112.2 | L26 F27 M265 M266 A267 W271 T272 V273 | L26-M269 HydrophobicContact CD2-SD 4.09Å; F27-M269 HydrophobicContact CE2-SD 3.95Å; F27-M269 HydrophobicContact CZ-CB 4.4Å; F27-M269 HydrophobicContact CZ-SD 4.22Å; M265-M269 WeakPolarHBondContact O-CB 3.27Å; M265-M269 PolarHBondContact O-N 2.67Å; M266-M269 PolarHBondContact O-N 3.31Å; A267-M269 VanDerWaalsContact C-N 3.31Å; A267-M269 PolarHBondContact O-N 3.05Å; M269-W271 VanDerWaalsContact C-N 3.29Å; M269-W271 PolarHBondContact O-N 3.07Å; M269-T272 PolarHBondContact O-N 3.42Å; M269-T272 PolarHBondContact O-OG1 2.87Å; M269-V273 WeakPolarHBondContact O-CB 3.4Å; M269-V273 VanDerWaalsContact O-CG2 3.24Å; M269-V273 WeakPolarHBondContact O-CG2 3.33Å; M269-V273 PolarHBondContact O-N 3.35Å |
| 270 | A | 87.1 | Confident | 87.2 | Confident | 64 Ų | 64 | 69.1 Ų | 69.1 | 53% | 0.529 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.3 | -39.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | M266 A267 Y274 | M266-A270 PolarHBondContact O-N 2.72Å; A267-A270 PolarHBondContact O-N 3.27Å; A267-A270 VanDerWaalsContact O-N 3.12Å; A270-Y274 WeakPolarHBondContact O-CB 3.35Å; A270-Y274 PolarHBondContact O-N 3.43Å |
| 271 | W | 85.9 | Confident | 86.5 | Confident | 55 Ų | 55 | 73 Ų | 73 | 21% | 0.208 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -64.7 | -49.2 | 176.6 | 178.1 | -96.6 | 0 | 0 | 0 | 112.5 | P200 F204 A267 A268 M269 V273 Y274 E275 | P200-W271 HydrophobicContact CB-CH2 3.11Å; P200-W271 HydrophobicContact CB-CZ2 3.92Å; P200-W271 HydrophobicContact CB-CZ3 3.77Å; P200-W271 HydrophobicContact CG-CH2 4.36Å; F204-W271 HydrophobicContact CB-CD2 4.38Å; F204-W271 HydrophobicContact CB-CE3 4.22Å; F204-W271 HydrophobicContact CD2-CB 3.62Å; F204-W271 HydrophobicContact CD2-CD2 4.17Å; F204-W271 HydrophobicContact CD2-CE3 4.33Å; F204-W271 AromaticContact CD2-CG 3.85Å; F204-W271 HydrophobicContact CD2-CG 3.85Å; F204-W271 HydrophobicContact CE2-CB 3.63Å; F204-W271 HydrophobicContact CE2-CG 4.16Å; F204-W271 HydrophobicContact CG-CD2 4.41Å; F204-W271 HydrophobicContact CG-CG 4.35Å; A267-W271 PolarHBondContact O-N 3.07Å; A268-W271 WeakPolarHBondContact O-CB 3.47Å; A268-W271 PolarHBondContact O-N 3.32Å; M269-W271 VanDerWaalsContact C-N 3.29Å; M269-W271 PolarHBondContact O-N 3.07Å; W271-V273 VanDerWaalsContact C-N 3.33Å; W271-V273 PolarHBondContact O-N 2.83Å; W271-Y274 HydrophobicContact CE3-CD1 4.34Å; W271-Y274 HydrophobicContact CH2-CD1 4.07Å; W271-Y274 HydrophobicContact CH2-CE1 4.1Å; W271-Y274 AromaticContact CZ3-CD1 3.88Å; W271-Y274 HydrophobicContact CZ3-CD1 3.88Å; W271-Y274 HydrophobicContact CZ3-CE1 4.1Å; W271-Y274 WeakPolarHBondContact O-CB 3.18Å; W271-Y274 PolarHBondContact O-N 2.88Å; W271-Y274 VanDerWaalsContact O-N 3.16Å; W271-E275 HydrophobicContact CH2-CG 4.39Å; W271-E275 HydrophobicContact CZ2-CG 3.67Å; W271-E275 PolarHBondContact NE1-OE2 3.38Å; W271-E275 PolarHBondContact O-N 3.02Å |
| 272 | T | 87.3 | Confident | 84.8 | Confident | 74 Ų | 74 | 72.6 Ų | 72.6 | 45% | 0.454 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.1 | -40.7 | 179.7 | 54 | 0 | 0 | 0 | 0 | 111.7 | A268 M269 Y274 E275 Q276 | A268-T272 WeakPolarHBondContact O-CG2 3.29Å; A268-T272 PolarHBondContact O-N 3.36Å; A268-T272 PolarHBondContact O-OG1 3.15Å; M269-T272 PolarHBondContact O-N 3.42Å; M269-T272 PolarHBondContact O-OG1 2.87Å; T272-Y274 VanDerWaalsContact C-N 3.35Å; T272-E275 PolarHBondContact O-N 2.85Å; T272-Q276 VanDerWaalsContact O-CG 3.28Å; T272-Q276 WeakPolarHBondContact O-CG 3.47Å; T272-Q276 PolarHBondContact O-N 2.96Å |
| 273 | V | 86.3 | Confident | 83.2 | Confident | 72 Ų | 72 | 76.5 Ų | 76.5 | 44% | 0.436 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61.9 | -44.1 | 174.3 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | M269 W271 Q276 M277 | M269-V273 WeakPolarHBondContact O-CB 3.4Å; M269-V273 VanDerWaalsContact O-CG2 3.24Å; M269-V273 WeakPolarHBondContact O-CG2 3.33Å; M269-V273 PolarHBondContact O-N 3.35Å; W271-V273 VanDerWaalsContact C-N 3.33Å; W271-V273 PolarHBondContact O-N 2.83Å; V273-Q276 PolarHBondContact O-N 3.46Å; V273-M277 HydrophobicContact CG1-CG 4.42Å; V273-M277 HydrophobicContact CG1-SD 4.1Å; V273-M277 WeakPolarHBondContact O-CG 3.49Å; V273-M277 PolarHBondContact O-N 2.93Å |
| 274 | Y | 83.3 | Confident | 81.1 | Confident | 121 Ų | 121 | 78.5 Ų | 78.5 | 48% | 0.475 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -58.5 | -48.4 | 175.9 | 171 | -97.8 | 0 | 0 | 0 | 111.9 | A270 W271 T272 Q276 M277 M278 | A270-Y274 WeakPolarHBondContact O-CB 3.35Å; A270-Y274 PolarHBondContact O-N 3.43Å; W271-Y274 HydrophobicContact CE3-CD1 4.34Å; W271-Y274 HydrophobicContact CH2-CD1 4.07Å; W271-Y274 HydrophobicContact CH2-CE1 4.1Å; W271-Y274 AromaticContact CZ3-CD1 3.88Å; W271-Y274 HydrophobicContact CZ3-CD1 3.88Å; W271-Y274 HydrophobicContact CZ3-CE1 4.1Å; W271-Y274 WeakPolarHBondContact O-CB 3.18Å; W271-Y274 PolarHBondContact O-N 2.88Å; W271-Y274 VanDerWaalsContact O-N 3.16Å; T272-Y274 VanDerWaalsContact C-N 3.35Å; Y274-Q276 VanDerWaalsContact C-N 3.34Å; Y274-Q276 PolarHBondContact O-N 2.9Å; Y274-M277 PolarHBondContact O-N 3.4Å; Y274-M278 HydrophobicContact CD1-CG 4.33Å; Y274-M278 HydrophobicContact CD2-CG 4.2Å; Y274-M278 HydrophobicContact CE1-CG 3.9Å; Y274-M278 HydrophobicContact CE2-CG 3.76Å; Y274-M278 HydrophobicContact CE2-SD 4.09Å; Y274-M278 HydrophobicContact CG-CG 4.47Å; Y274-M278 VanDerWaalsContact O-CG 3.32Å; Y274-M278 WeakPolarHBondContact O-CG 3.22Å; Y274-M278 PolarHBondContact O-N 2.79Å |
| 275 | E | 83.9 | Confident | 78.6 | Confident | 66 Ų | 66 | 85.1 Ų | 85.1 | 31% | 0.308 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.2 | -41.6 | 178.5 | -76.3 | -154.4 | 83 | 0 | 0 | 113 | W271 T272 M278 A279 K284 | W271-E275 HydrophobicContact CH2-CG 4.39Å; W271-E275 HydrophobicContact CZ2-CG 3.67Å; W271-E275 PolarHBondContact NE1-OE2 3.38Å; W271-E275 PolarHBondContact O-N 3.02Å; T272-E275 PolarHBondContact O-N 2.85Å; E275-M278 PolarHBondContact O-N 2.79Å; E275-A279 WeakPolarHBondContact O-CB 3.26Å; E275-A279 PolarHBondContact O-N 2.93Å; E275-K284 IonicContact OE1-NZ 3.68Å; E275-K284 PolarHBondContact OE1-NZ 3.35Å |
| 276 | Q | 85.2 | Confident | 77.9 | Confident | 117 Ų | 117 | 85.4 Ų | 85.4 | 55% | 0.547 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.8 | -43.8 | 177.6 | -71.4 | -63 | -23.6 | 0 | 0 | 111.1 | T272 V273 Y274 A279 H280 | T272-Q276 VanDerWaalsContact O-CG 3.28Å; T272-Q276 WeakPolarHBondContact O-CG 3.47Å; T272-Q276 PolarHBondContact O-N 2.96Å; V273-Q276 PolarHBondContact O-N 3.46Å; Y274-Q276 VanDerWaalsContact C-N 3.34Å; Y274-Q276 PolarHBondContact O-N 2.9Å; Q276-A279 PolarHBondContact O-N 3.2Å; Q276-H280 PolarHBondContact O-N 3.46Å; Q276-H280 PolarHBondContact O-ND1 3.02Å |
| 277 | M | 82.3 | Confident | 77.3 | Confident | 123 Ų | 123 | 86.6 Ų | 86.6 | 61% | 0.606 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.4 | -45.7 | 175.7 | -72.9 | -176.6 | 70.3 | 0 | 0 | 111.5 | V273 Y274 A279 H280 V281 | V273-M277 HydrophobicContact CG1-CG 4.42Å; V273-M277 HydrophobicContact CG1-SD 4.1Å; V273-M277 WeakPolarHBondContact O-CG 3.49Å; V273-M277 PolarHBondContact O-N 2.93Å; Y274-M277 PolarHBondContact O-N 3.4Å; M277-A279 VanDerWaalsContact C-N 3.3Å; M277-A279 PolarHBondContact O-N 3.15Å; M277-H280 PolarHBondContact O-N 3.44Å; M277-V281 VanDerWaalsContact O-CG2 3.28Å; M277-V281 WeakPolarHBondContact O-CG2 3.19Å; M277-V281 PolarHBondContact O-N 3.41Å |
| 278 | M | 78.6 | Confident | 76.7 | Confident | 51 Ų | 51 | 89.6 Ų | 89.6 | 25% | 0.251 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62 | -37.4 | 178 | -71.7 | -63.6 | -69.1 | 0 | 0 | 112.7 | Y274 E275 G282 L283 | Y274-M278 HydrophobicContact CD1-CG 4.33Å; Y274-M278 HydrophobicContact CD2-CG 4.2Å; Y274-M278 HydrophobicContact CE1-CG 3.9Å; Y274-M278 HydrophobicContact CE2-CG 3.76Å; Y274-M278 HydrophobicContact CE2-SD 4.09Å; Y274-M278 HydrophobicContact CG-CG 4.47Å; Y274-M278 VanDerWaalsContact O-CG 3.32Å; Y274-M278 WeakPolarHBondContact O-CG 3.22Å; Y274-M278 PolarHBondContact O-N 2.79Å; E275-M278 PolarHBondContact O-N 2.79Å; M278-G282 PolarHBondContact O-N 3.18Å; M278-L283 HydrophobicContact CE-CB 3.52Å; M278-L283 HydrophobicContact CE-CD1 3.96Å; M278-L283 HydrophobicContact CE-CG 4.39Å; M278-L283 PolarHBondContact O-N 3.24Å; M278-L283 HydrophobicContact SD-CB 4.41Å; M278-L283 HydrophobicContact SD-CD1 4.15Å |
| 279 | A | 78.5 | Confident | 75.9 | Confident | 44 Ų | 44 | 92.6 Ų | 92.6 | 36% | 0.364 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.2 | -44.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | E275 Q276 M277 V281 G282 K284 | E275-A279 WeakPolarHBondContact O-CB 3.26Å; E275-A279 PolarHBondContact O-N 2.93Å; Q276-A279 PolarHBondContact O-N 3.2Å; M277-A279 VanDerWaalsContact C-N 3.3Å; M277-A279 PolarHBondContact O-N 3.15Å; A279-V281 VanDerWaalsContact C-N 3.32Å; A279-V281 PolarHBondContact O-N 3Å; A279-G282 PolarHBondContact O-N 3.41Å; A279-G282 VanDerWaalsContact O-N 3.17Å; A279-K284 HydrophobicContact CB-CD 4.06Å |
| 280 | H | 78.9 | Confident | 75 | Confident | 159 Ų | 159 | 95.4 Ų | 95.4 | 74% | 0.736 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -68.6 | -29.1 | 179.5 | -75.3 | 78 | 0 | 0 | 0 | 113.3 | Q276 M277 G282 | Q276-H280 PolarHBondContact O-N 3.46Å; Q276-H280 PolarHBondContact O-ND1 3.02Å; M277-H280 PolarHBondContact O-N 3.44Å; H280-G282 PolarHBondContact O-N 3.24Å |
| 281 | V | 79.4 | Confident | 74.2 | Confident | 101 Ų | 101 | 97.5 Ų | 97.5 | 61% | 0.612 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -3 | 176.7 | -179.3 | 0 | 0 | 0 | 0 | 111.8 | M277 A279 L283 | M277-V281 VanDerWaalsContact O-CG2 3.28Å; M277-V281 WeakPolarHBondContact O-CG2 3.19Å; M277-V281 PolarHBondContact O-N 3.41Å; A279-V281 VanDerWaalsContact C-N 3.32Å; A279-V281 PolarHBondContact O-N 3Å; V281-L283 VanDerWaalsContact C-N 3.26Å; V281-L283 HydrophobicContact CB-CD1 4.3Å; V281-L283 HydrophobicContact CG1-CD1 3.61Å; V281-L283 HydrophobicContact CG1-CG 3.96Å; V281-L283 PolarHBondContact O-N 3.28Å |
| 282 | G | 59 | Low | 73.3 | Confident | 63 Ų | 63 | 100.5 Ų | 100.5 | 65% | 0.649 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 72.2 | 18.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | M278 A279 H280 | M278-G282 PolarHBondContact O-N 3.18Å; A279-G282 PolarHBondContact O-N 3.41Å; A279-G282 VanDerWaalsContact O-N 3.17Å; H280-G282 PolarHBondContact O-N 3.24Å |
| 283 | L | 59.1 | Low | 72.3 | Confident | 112 Ų | 112 | 102.5 Ų | 102.5 | 59% | 0.586 | 57% | 0.568 | S | S | * | * | trans | -92.8 | 3.4 | -180 | -71.2 | 167.9 | 0 | 0 | 0 | 113.1 | M278 V281 S285 | M278-L283 HydrophobicContact CE-CB 3.52Å; M278-L283 HydrophobicContact CE-CD1 3.96Å; M278-L283 HydrophobicContact CE-CG 4.39Å; M278-L283 PolarHBondContact O-N 3.24Å; M278-L283 HydrophobicContact SD-CB 4.41Å; M278-L283 HydrophobicContact SD-CD1 4.15Å; V281-L283 VanDerWaalsContact C-N 3.26Å; V281-L283 HydrophobicContact CB-CD1 4.3Å; V281-L283 HydrophobicContact CG1-CD1 3.61Å; V281-L283 HydrophobicContact CG1-CG 3.96Å; V281-L283 PolarHBondContact O-N 3.28Å; L283-S285 PolarHBondContact O-N 3.27Å | ||
| 284 | K | 45 | Very low | 71.1 | Confident | 117 Ų | 117 | 105.1 Ų | 105.1 | 51% | 0.509 | 58% | 0.579 | S | S | . | * | trans | -80.1 | 99 | 166.2 | -80.8 | -165.8 | 172.3 | -168.1 | 0 | 107.9 | E275 A279 | E275-K284 IonicContact OE1-NZ 3.68Å; E275-K284 PolarHBondContact OE1-NZ 3.35Å; A279-K284 HydrophobicContact CB-CD 4.06Å | ||
| 285 | S | 39.9 | Very low | 70 | Confident | 187 Ų | 187 | 103.6 Ų | 103.6 | 100% | 1.308 | 59% | 0.589 | S | S | * | * | trans | -74.1 | 0 | 160.2 | -165.7 | 0 | 0 | 0 | 0 | 110.8 | L283 | L283-S285 PolarHBondContact O-N 3.27Š|
Retrieved 285 of 285 residues in 154.9 ms
(Link to these results)