| 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 | 79.5 | Confident | 82.6 | Confident | 188 Ų | 188 | 103.6 Ų | 103.6 | 93% | 0.926 | 54% | 0.542 | S | S | * | . | 0 | -53.3 | 0 | -163.5 | 171.9 | 175.7 | 0 | 0 | 112.1 | V3 R4 L5 | M1-V3 VanDerWaalsContact C-N 3.31Å; M1-V3 PolarHBondContact O-N 3.16Å; M1-R4 PolarHBondContact O-N 3.07Å; M1-L5 HydrophobicContact CG-CD1 4.22Å; M1-L5 PolarHBondContact O-N 3.26Å; M1-L5 VanDerWaalsContact O-N 3.16Å | |||
| 2 | V | 82.4 | Confident | 82.5 | Confident | 110 Ų | 110 | 104.4 Ų | 104.4 | 67% | 0.667 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -50.3 | -46.3 | 178.1 | -178.7 | 0 | 0 | 0 | 0 | 113 | R4 L5 T6 | V2-R4 VanDerWaalsContact C-N 3.34Å; V2-R4 PolarHBondContact O-N 2.86Å; V2-L5 PolarHBondContact O-N 3.29Å; V2-T6 HydrophobicContact CG1-CG2 4.26Å; V2-T6 WeakPolarHBondContact O-CG2 3.25Å; V2-T6 PolarHBondContact O-N 3.47Å; V2-T6 PolarHBondContact O-OG1 3.41Å |
| 3 | V | 83 | Confident | 82.4 | Confident | 99 Ų | 99 | 100.4 Ų | 100.4 | 60% | 0.6 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.4 | -37.7 | 179.4 | -179.4 | 0 | 0 | 0 | 0 | 113.4 | M1 T6 Q7 | M1-V3 VanDerWaalsContact C-N 3.31Å; M1-V3 PolarHBondContact O-N 3.16Å; V3-T6 WeakPolarHBondContact CA-OG1 3.21Å; V3-T6 PolarHBondContact O-OG1 2.86Å; V3-Q7 WeakPolarHBondContact O-CB 3.48Å; V3-Q7 WeakPolarHBondContact O-CG 3.44Å; V3-Q7 PolarHBondContact O-N 3.1Å |
| 4 | R | 85.6 | Confident | 82.3 | Confident | 204 Ų | 204 | 105.3 Ų | 105.3 | 77% | 0.77 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -72.5 | -37.1 | 178.2 | -71.7 | -172.3 | 178.6 | 171.6 | -1 | 111.3 | M1 V2 A8 | M1-R4 PolarHBondContact O-N 3.07Å; V2-R4 VanDerWaalsContact C-N 3.34Å; V2-R4 PolarHBondContact O-N 2.86Å; R4-A8 WeakPolarHBondContact O-CB 3.24Å; R4-A8 PolarHBondContact O-N 3.11Å |
| 5 | L | 83.1 | Confident | 82.8 | Confident | 103 Ų | 103 | 107.7 Ų | 107.7 | 54% | 0.539 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.4 | -43.5 | 174.5 | -73.9 | 165.5 | 0 | 0 | 0 | 111.2 | M1 V2 Q7 A8 V9 | M1-L5 HydrophobicContact CG-CD1 4.22Å; M1-L5 PolarHBondContact O-N 3.26Å; M1-L5 VanDerWaalsContact O-N 3.16Å; V2-L5 PolarHBondContact O-N 3.29Å; L5-Q7 PolarHBondContact O-N 3.48Å; L5-A8 PolarHBondContact O-N 3.49Å; L5-V9 WeakPolarHBondContact O-CB 3.28Å; L5-V9 VanDerWaalsContact O-CG2 3.25Å; L5-V9 WeakPolarHBondContact O-CG2 3.38Å; L5-V9 PolarHBondContact O-N 2.99Å |
| 6 | T | 83.3 | Confident | 83 | Confident | 36 Ų | 36 | 105.1 Ų | 105.1 | 22% | 0.221 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -66.1 | -37.9 | 177.9 | 56.1 | 0 | 0 | 0 | 0 | 112 | V2 V3 W10 | V2-T6 HydrophobicContact CG1-CG2 4.26Å; V2-T6 WeakPolarHBondContact O-CG2 3.25Å; V2-T6 PolarHBondContact O-N 3.47Å; V2-T6 PolarHBondContact O-OG1 3.41Å; V3-T6 WeakPolarHBondContact CA-OG1 3.21Å; V3-T6 PolarHBondContact O-OG1 2.86Å; T6-W10 VanDerWaalsContact O-CB 3.29Å; T6-W10 WeakPolarHBondContact O-CB 3.25Å; T6-W10 PolarHBondContact O-N 3.09Å |
| 7 | Q | 82.9 | Confident | 83.3 | Confident | 112 Ų | 112 | 107.6 Ų | 107.6 | 52% | 0.523 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.7 | -44.1 | 174.6 | -79 | 179.3 | -27.1 | 0 | 0 | 113.1 | V3 L5 W10 S11 | V3-Q7 WeakPolarHBondContact O-CB 3.48Å; V3-Q7 WeakPolarHBondContact O-CG 3.44Å; V3-Q7 PolarHBondContact O-N 3.1Å; L5-Q7 PolarHBondContact O-N 3.48Å; Q7-W10 PolarHBondContact O-N 3.31Å; Q7-S11 PolarHBondContact O-N 3.04Å; Q7-S11 PolarHBondContact O-OG 3.44Å |
| 8 | A | 83.6 | Confident | 83.5 | Confident | 56 Ų | 56 | 112.4 Ų | 112.4 | 46% | 0.463 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.2 | -40.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | R4 L5 W10 S11 H12 | R4-A8 WeakPolarHBondContact O-CB 3.24Å; R4-A8 PolarHBondContact O-N 3.11Å; L5-A8 PolarHBondContact O-N 3.49Å; A8-W10 VanDerWaalsContact C-N 3.31Å; A8-W10 PolarHBondContact O-N 3.05Å; A8-S11 PolarHBondContact O-OG 3.43Å; A8-H12 WeakPolarHBondContact O-CB 3.46Å; A8-H12 PolarHBondContact O-N 3.19Å |
| 9 | V | 81.3 | Confident | 83.7 | Confident | 78 Ų | 78 | 112.6 Ų | 112.6 | 47% | 0.473 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.6 | -40.4 | 174.1 | 171.2 | 0 | 0 | 0 | 0 | 110.5 | L5 H12 L13 | L5-V9 WeakPolarHBondContact O-CB 3.28Å; L5-V9 VanDerWaalsContact O-CG2 3.25Å; L5-V9 WeakPolarHBondContact O-CG2 3.38Å; L5-V9 PolarHBondContact O-N 2.99Å; V9-H12 PolarHBondContact O-N 3.42Å; V9-L13 HydrophobicContact CG1-CD1 3.71Å; V9-L13 HydrophobicContact CG1-CG 4.29Å; V9-L13 WeakPolarHBondContact O-CB 3.4Å; V9-L13 VanDerWaalsContact O-CG 3.24Å; V9-L13 WeakPolarHBondContact O-CG 3.47Å; V9-L13 PolarHBondContact O-N 3.49Å |
| 10 | W | 79.5 | Confident | 83.8 | Confident | 92 Ų | 92 | 108.4 Ų | 108.4 | 35% | 0.348 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.1 | -45.5 | 178.6 | -178.9 | -103 | 0 | 0 | 0 | 113.4 | T6 Q7 A8 H12 L13 R14 L541 | T6-W10 VanDerWaalsContact O-CB 3.29Å; T6-W10 WeakPolarHBondContact O-CB 3.25Å; T6-W10 PolarHBondContact O-N 3.09Å; Q7-W10 PolarHBondContact O-N 3.31Å; A8-W10 VanDerWaalsContact C-N 3.31Å; A8-W10 PolarHBondContact O-N 3.05Å; W10-H12 VanDerWaalsContact C-N 3.29Å; W10-H12 PolarHBondContact O-N 2.91Å; W10-L13 PolarHBondContact O-N 3.49Å; W10-R14 WeakPolarHBondContact O-CB 3.43Å; W10-R14 PolarHBondContact O-N 3.05Å; W10-L541 HydrophobicContact CH2-CD2 4.4Å; W10-L541 HydrophobicContact CZ3-CD2 4.16Å |
| 11 | S | 84.4 | Confident | 84 | Confident | 62 Ų | 62 | 106.2 Ų | 106.2 | 43% | 0.434 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.6 | -43.1 | 176.9 | 59.2 | 0 | 0 | 0 | 0 | 110.9 | Q7 A8 L13 R14 E15 | Q7-S11 PolarHBondContact O-N 3.04Å; Q7-S11 PolarHBondContact O-OG 3.44Å; A8-S11 PolarHBondContact O-OG 3.43Å; S11-L13 PolarHBondContact O-N 3.4Å; S11-R14 PolarHBondContact O-N 2.98Å; S11-E15 PolarHBondContact O-N 3.28Å |
| 12 | H | 81.9 | Confident | 84.4 | Confident | 113 Ų | 113 | 103.7 Ų | 103.7 | 52% | 0.523 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.3 | -35.5 | 178.7 | -157.5 | -46.6 | 0 | 0 | 0 | 113.1 | A8 V9 W10 H16 | A8-H12 WeakPolarHBondContact O-CB 3.46Å; A8-H12 PolarHBondContact O-N 3.19Å; V9-H12 PolarHBondContact O-N 3.42Å; W10-H12 VanDerWaalsContact C-N 3.29Å; W10-H12 PolarHBondContact O-N 2.91Å; H12-H16 AromaticContact CE1-CD2 3.65Å; H12-H16 AromaticContact ND1-CD2 3.84Å; H12-H16 PolarHBondContact O-N 3Å |
| 13 | L | 80.3 | Confident | 84.6 | Confident | 52 Ų | 52 | 104.7 Ų | 104.7 | 27% | 0.272 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.5 | -37.2 | 173.1 | -75.9 | 167.2 | 0 | 0 | 0 | 111.6 | V9 W10 S11 H16 K17 A20 F537 | V9-L13 HydrophobicContact CG1-CD1 3.71Å; V9-L13 HydrophobicContact CG1-CG 4.29Å; V9-L13 WeakPolarHBondContact O-CB 3.4Å; V9-L13 VanDerWaalsContact O-CG 3.24Å; V9-L13 WeakPolarHBondContact O-CG 3.47Å; V9-L13 PolarHBondContact O-N 3.49Å; W10-L13 PolarHBondContact O-N 3.49Å; S11-L13 PolarHBondContact O-N 3.4Å; L13-H16 CarbonylContact O-C 3.26Å; L13-H16 VanDerWaalsContact O-C 3.26Å; L13-H16 PolarHBondContact O-N 3.49Å; L13-K17 PolarHBondContact O-N 2.96Å; L13-A20 HydrophobicContact CD2-CB 3.62Å; L13-F537 HydrophobicContact CD1-CD2 4.25Å; L13-F537 HydrophobicContact CD1-CE2 3.97Å |
| 14 | R | 81.5 | Confident | 84.8 | Confident | 169 Ų | 169 | 102.3 Ų | 102.3 | 64% | 0.638 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -69.1 | -33.6 | -179.9 | -164.1 | 176.1 | -176.1 | 171.1 | 3.4 | 112.3 | W10 S11 H16 K17 | W10-R14 WeakPolarHBondContact O-CB 3.43Å; W10-R14 PolarHBondContact O-N 3.05Å; S11-R14 PolarHBondContact O-N 2.98Å; R14-H16 VanDerWaalsContact C-N 3.26Å; R14-H16 PolarHBondContact O-N 3.07Å; R14-K17 WeakPolarHBondContact O-CG 3.43Å |
| 15 | E | 89.3 | Confident | 85.1 | Confident | 142 Ų | 142 | 95.4 Ų | 95.4 | 66% | 0.664 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -69.2 | -24.5 | 172.5 | -74.7 | 174.8 | -168.5 | 0 | 0 | 112.8 | S11 | S11-E15 PolarHBondContact O-N 3.28Å |
| 16 | H | 86.3 | Confident | 85.5 | Confident | 66 Ų | 66 | 93.4 Ų | 93.4 | 31% | 0.306 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.1 | 46 | -174.2 | -69.7 | -27.2 | 0 | 0 | 0 | 113.2 | H12 L13 R14 K18 K19 A20 | H12-H16 AromaticContact CE1-CD2 3.65Å; H12-H16 AromaticContact ND1-CD2 3.84Å; H12-H16 PolarHBondContact O-N 3Å; L13-H16 CarbonylContact O-C 3.26Å; L13-H16 VanDerWaalsContact O-C 3.26Å; L13-H16 PolarHBondContact O-N 3.49Å; R14-H16 VanDerWaalsContact C-N 3.26Å; R14-H16 PolarHBondContact O-N 3.07Å; H16-K18 PolarHBondContact O-N 2.88Å; H16-K19 HydrophobicContact CB-CB 4.04Å; H16-K19 HydrophobicContact CB-CD 3.97Å; H16-K19 HydrophobicContact CB-CG 4.08Å; H16-K19 PolarHBondContact NE2-NZ 3.33Å; H16-K19 WeakPolarHBondContact O-CA 3.18Å; H16-K19 PolarHBondContact O-N 3.47Å; H16-A20 PolarHBondContact O-N 3.19Å |
| 17 | K | 87.5 | Confident | 85.9 | Confident | 147 Ų | 147 | 94.3 Ų | 94.3 | 64% | 0.639 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -47.2 | -39.8 | 179.3 | -61 | -176.2 | -177.9 | 179.7 | 0 | 113.6 | L13 R14 A21 | L13-K17 PolarHBondContact O-N 2.96Å; R14-K17 WeakPolarHBondContact O-CG 3.43Å; K17-A21 WeakPolarHBondContact O-CB 3.45Å; K17-A21 PolarHBondContact O-N 3.29Å |
| 18 | K | 88.4 | Confident | 86.3 | Confident | 195 Ų | 195 | 94 Ų | 94 | 85% | 0.848 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65.5 | -42.5 | 177 | -65.1 | -176.5 | -179.7 | 179.8 | 0 | 112.6 | H16 F22 | H16-K18 PolarHBondContact O-N 2.88Å; K18-F22 PolarHBondContact O-N 2.91Å; K18-F22 VanDerWaalsContact O-N 3.12Å |
| 19 | K | 87.1 | Confident | 86.6 | Confident | 116 Ų | 116 | 94.2 Ų | 94.2 | 50% | 0.504 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -69.7 | -43.2 | 177.1 | -56.2 | -177.3 | -175.7 | 168.2 | 0 | 110.4 | H16 A21 F22 F23 | H16-K19 HydrophobicContact CB-CB 4.04Å; H16-K19 HydrophobicContact CB-CD 3.97Å; H16-K19 HydrophobicContact CB-CG 4.08Å; H16-K19 PolarHBondContact NE2-NZ 3.33Å; H16-K19 WeakPolarHBondContact O-CA 3.18Å; H16-K19 PolarHBondContact O-N 3.47Å; K19-A21 PolarHBondContact O-N 3.35Å; K19-F22 PolarHBondContact O-N 3.32Å; K19-F23 HydrophobicContact CB-CD2 4.43Å; K19-F23 WeakPolarHBondContact O-CD2 3.28Å; K19-F23 PolarHBondContact O-N 3.3Å |
| 20 | A | 84.9 | Confident | 87.2 | Confident | 28 Ų | 28 | 93.6 Ų | 93.6 | 23% | 0.231 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -58.1 | -46 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L13 H16 F23 A24 | L13-A20 HydrophobicContact CD2-CB 3.62Å; H16-A20 PolarHBondContact O-N 3.19Å; A20-F23 PolarHBondContact O-N 3.38Å; A20-A24 WeakPolarHBondContact O-CB 3.43Å; A20-A24 PolarHBondContact O-N 3.37Å |
| 21 | A | 87.2 | Confident | 87.9 | Confident | 62 Ų | 62 | 92.8 Ų | 92.8 | 51% | 0.512 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.2 | -42.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | K17 K19 A24 A25 | K17-A21 WeakPolarHBondContact O-CB 3.45Å; K17-A21 PolarHBondContact O-N 3.29Å; K19-A21 PolarHBondContact O-N 3.35Å; A21-A24 PolarHBondContact O-N 2.9Å; A21-A25 WeakPolarHBondContact O-CB 3.49Å; A21-A25 PolarHBondContact O-N 3.3Å |
| 22 | F | 88.4 | Confident | 88.3 | Confident | 135 Ų | 135 | 93.8 Ų | 93.8 | 59% | 0.592 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.5 | -47.7 | 174.9 | 176.9 | -97.6 | 0 | 0 | 0 | 112.1 | K18 K19 A24 A25 V26 | K18-F22 PolarHBondContact O-N 2.91Å; K18-F22 VanDerWaalsContact O-N 3.12Å; K19-F22 PolarHBondContact O-N 3.32Å; F22-A24 VanDerWaalsContact C-N 3.33Å; F22-A24 PolarHBondContact O-N 3.45Å; F22-A25 PolarHBondContact O-N 3.49Å; F22-V26 HydrophobicContact CD1-CG2 4.22Å; F22-V26 HydrophobicContact CD2-CG2 4.44Å; F22-V26 HydrophobicContact CE1-CG2 3.81Å; F22-V26 HydrophobicContact CE2-CG2 4.06Å; F22-V26 HydrophobicContact CZ-CG2 3.73Å; F22-V26 WeakPolarHBondContact O-CG2 3.35Å; F22-V26 PolarHBondContact O-N 2.84Å |
| 23 | F | 87.5 | Confident | 88.7 | Confident | 131 Ų | 131 | 94.7 Ų | 94.7 | 58% | 0.575 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.9 | -40.4 | 177.3 | -84 | -67.8 | 0 | 0 | 0 | 112.1 | K19 A20 V26 S27 | K19-F23 HydrophobicContact CB-CD2 4.43Å; K19-F23 WeakPolarHBondContact O-CD2 3.28Å; K19-F23 PolarHBondContact O-N 3.3Å; A20-F23 PolarHBondContact O-N 3.38Å; F23-V26 PolarHBondContact O-N 3Å; F23-S27 VanDerWaalsContact O-CB 3.29Å; F23-S27 WeakPolarHBondContact O-CB 3.27Å; F23-S27 PolarHBondContact O-N 2.91Å; F23-S27 PolarHBondContact O-OG 3.29Å |
| 24 | A | 87.5 | Confident | 89.4 | Confident | 50 Ų | 50 | 93.7 Ų | 93.7 | 41% | 0.413 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.2 | -46.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | A20 A21 F22 S27 I28 | A20-A24 WeakPolarHBondContact O-CB 3.43Å; A20-A24 PolarHBondContact O-N 3.37Å; A21-A24 PolarHBondContact O-N 2.9Å; F22-A24 VanDerWaalsContact C-N 3.33Å; F22-A24 PolarHBondContact O-N 3.45Å; A24-S27 PolarHBondContact O-N 3.47Å; A24-I28 VanDerWaalsContact O-CG1 3.27Å; A24-I28 WeakPolarHBondContact O-CG1 3.29Å; A24-I28 PolarHBondContact O-N 3.19Å |
| 25 | A | 90.3 | Very high | 90 | Very high | 58 Ų | 58 | 94 Ų | 94 | 48% | 0.479 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.4 | -45.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A21 F22 A29 | A21-A25 WeakPolarHBondContact O-CB 3.49Å; A21-A25 PolarHBondContact O-N 3.3Å; F22-A25 PolarHBondContact O-N 3.49Å; A25-A29 WeakPolarHBondContact O-CB 3.26Å; A25-A29 PolarHBondContact O-N 3.48Å |
| 26 | V | 92.8 | Very high | 90.1 | Very high | 62 Ų | 62 | 91.3 Ų | 91.3 | 38% | 0.376 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 175.8 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | F22 F23 I28 A29 S30 | F22-V26 HydrophobicContact CD1-CG2 4.22Å; F22-V26 HydrophobicContact CD2-CG2 4.44Å; F22-V26 HydrophobicContact CE1-CG2 3.81Å; F22-V26 HydrophobicContact CE2-CG2 4.06Å; F22-V26 HydrophobicContact CZ-CG2 3.73Å; F22-V26 WeakPolarHBondContact O-CG2 3.35Å; F22-V26 PolarHBondContact O-N 2.84Å; F23-V26 PolarHBondContact O-N 3Å; V26-I28 PolarHBondContact O-N 3.18Å; V26-A29 WeakPolarHBondContact O-CB 3.48Å; V26-A29 PolarHBondContact O-N 3.05Å; V26-S30 WeakPolarHBondContact O-CB 3.41Å; V26-S30 PolarHBondContact O-N 3.19Å; V26-S30 PolarHBondContact O-OG 3.24Å |
| 27 | S | 90.7 | Very high | 90.4 | Very high | 54 Ų | 54 | 90.6 Ų | 90.6 | 38% | 0.378 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.2 | -44.8 | -179.3 | -58.4 | 0 | 0 | 0 | 0 | 111.7 | F23 A24 A29 S30 V31 | F23-S27 VanDerWaalsContact O-CB 3.29Å; F23-S27 WeakPolarHBondContact O-CB 3.27Å; F23-S27 PolarHBondContact O-N 2.91Å; F23-S27 PolarHBondContact O-OG 3.29Å; A24-S27 PolarHBondContact O-N 3.47Å; S27-A29 VanDerWaalsContact C-N 3.33Å; S27-A29 PolarHBondContact O-N 2.89Å; S27-S30 PolarHBondContact O-N 3.14Å; S27-V31 WeakPolarHBondContact O-CG2 3.29Å; S27-V31 PolarHBondContact O-N 3.45Å |
| 28 | I | 92.1 | Very high | 90.8 | Very high | 107 Ų | 107 | 88.8 Ų | 88.8 | 55% | 0.549 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.3 | -45.1 | 174.7 | -68.1 | 165.7 | 0 | 0 | 0 | 110.3 | A24 V26 S30 V31 N32 | A24-I28 VanDerWaalsContact O-CG1 3.27Å; A24-I28 WeakPolarHBondContact O-CG1 3.29Å; A24-I28 PolarHBondContact O-N 3.19Å; V26-I28 PolarHBondContact O-N 3.18Å; I28-S30 PolarHBondContact O-N 2.66Å; I28-V31 PolarHBondContact O-N 2.95Å; I28-N32 WeakPolarHBondContact O-CB 3.3Å; I28-N32 PolarHBondContact O-N 2.87Å; I28-N32 PolarHBondContact O-ND2 3.03Å |
| 29 | A | 90 | Very high | 91.1 | Very high | 59 Ų | 59 | 83.5 Ų | 83.5 | 49% | 0.488 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.1 | -41.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A25 V26 S27 N32 F33 | A25-A29 WeakPolarHBondContact O-CB 3.26Å; A25-A29 PolarHBondContact O-N 3.48Å; V26-A29 WeakPolarHBondContact O-CB 3.48Å; V26-A29 PolarHBondContact O-N 3.05Å; S27-A29 VanDerWaalsContact C-N 3.33Å; S27-A29 PolarHBondContact O-N 2.89Å; A29-N32 PolarHBondContact O-N 2.96Å; A29-F33 WeakPolarHBondContact O-CB 3.21Å; A29-F33 PolarHBondContact O-N 3.38Å |
| 30 | S | 93.3 | Very high | 91.5 | Very high | 66 Ų | 66 | 80.3 Ų | 80.3 | 46% | 0.462 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -66.1 | -43 | 177.6 | -63.2 | 0 | 0 | 0 | 0 | 112.7 | V26 S27 I28 F33 A34 | V26-S30 WeakPolarHBondContact O-CB 3.41Å; V26-S30 PolarHBondContact O-N 3.19Å; V26-S30 PolarHBondContact O-OG 3.24Å; S27-S30 PolarHBondContact O-N 3.14Å; I28-S30 PolarHBondContact O-N 2.66Å; S30-F33 PolarHBondContact O-N 2.87Å; S30-A34 WeakPolarHBondContact O-CB 3.35Å; S30-A34 PolarHBondContact O-N 3.37Å |
| 31 | V | 93.4 | Very high | 92.1 | Very high | 75 Ų | 75 | 87 Ų | 87 | 46% | 0.455 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.1 | -44.7 | 176.1 | 171.8 | 0 | 0 | 0 | 0 | 110.5 | S27 I28 F33 A34 R35 | S27-V31 WeakPolarHBondContact O-CG2 3.29Å; S27-V31 PolarHBondContact O-N 3.45Å; I28-V31 PolarHBondContact O-N 2.95Å; V31-F33 PolarHBondContact O-N 2.91Å; V31-A34 PolarHBondContact O-N 3.39Å; V31-R35 WeakPolarHBondContact O-CB 3.41Å; V31-R35 PolarHBondContact O-N 2.71Å |
| 32 | N | 92.6 | Very high | 92.5 | Very high | 83 Ų | 83 | 92.8 Ų | 92.8 | 44% | 0.444 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63 | -41.6 | 175.9 | -74.7 | -19.8 | 0 | 0 | 0 | 112 | I28 A29 R35 N36 | I28-N32 WeakPolarHBondContact O-CB 3.3Å; I28-N32 PolarHBondContact O-N 2.87Å; I28-N32 PolarHBondContact O-ND2 3.03Å; A29-N32 PolarHBondContact O-N 2.96Å; N32-R35 PolarHBondContact O-N 2.86Å; N32-N36 WeakPolarHBondContact O-CB 3.49Å; N32-N36 PolarHBondContact O-N 2.91Å; N32-N36 PolarHBondContact O-ND2 3.16Å; N32-N36 PolarHBondContact O-OD1 3.43Å |
| 33 | F | 91.3 | Very high | 93 | Very high | 131 Ų | 131 | 87 Ų | 87 | 58% | 0.575 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -61.7 | -45.3 | 174.7 | 179 | -97.9 | 0 | 0 | 0 | 112 | A29 S30 V31 N36 Q37 | A29-F33 WeakPolarHBondContact O-CB 3.21Å; A29-F33 PolarHBondContact O-N 3.38Å; S30-F33 PolarHBondContact O-N 2.87Å; V31-F33 PolarHBondContact O-N 2.91Å; F33-N36 PolarHBondContact O-N 3.5Å; F33-Q37 HydrophobicContact CD1-CG 4.21Å; F33-Q37 HydrophobicContact CE1-CG 3.87Å; F33-Q37 HydrophobicContact CE2-CG 4.39Å; F33-Q37 HydrophobicContact CZ-CG 3.98Å; F33-Q37 VanDerWaalsContact O-CG 3.29Å; F33-Q37 WeakPolarHBondContact O-CG 3.38Å; F33-Q37 PolarHBondContact O-N 2.86Å |
| 34 | A | 94.6 | Very high | 93.4 | Very high | 31 Ų | 31 | 82.8 Ų | 82.8 | 26% | 0.256 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.3 | -42.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S30 V31 Q37 L38 | S30-A34 WeakPolarHBondContact O-CB 3.35Å; S30-A34 PolarHBondContact O-N 3.37Å; V31-A34 PolarHBondContact O-N 3.39Å; A34-Q37 PolarHBondContact O-N 3.46Å; A34-L38 WeakPolarHBondContact O-CG 3.18Å; A34-L38 PolarHBondContact O-N 2.93Å |
| 35 | R | 94.6 | Very high | 93.9 | Very high | 175 Ų | 175 | 84.4 Ų | 84.4 | 66% | 0.66 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -59 | -48.1 | 174.9 | -176.2 | 177.5 | 178.8 | 157.8 | 1.2 | 111.4 | V31 N32 Q37 L38 E39 | V31-R35 WeakPolarHBondContact O-CB 3.41Å; V31-R35 PolarHBondContact O-N 2.71Å; N32-R35 PolarHBondContact O-N 2.86Å; R35-Q37 PolarHBondContact O-N 2.85Å; R35-L38 PolarHBondContact O-N 2.88Å; R35-E39 PolarHBondContact O-N 3.3Å |
| 36 | N | 91.4 | Very high | 94.3 | Very high | 87 Ų | 87 | 85.1 Ų | 85.1 | 47% | 0.465 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.7 | -43.1 | 178.1 | -69.1 | -9.6 | 0 | 0 | 0 | 111.4 | N32 F33 L38 E39 E40 | N32-N36 WeakPolarHBondContact O-CB 3.49Å; N32-N36 PolarHBondContact O-N 2.91Å; N32-N36 PolarHBondContact O-ND2 3.16Å; N32-N36 PolarHBondContact O-OD1 3.43Å; F33-N36 PolarHBondContact O-N 3.5Å; N36-L38 VanDerWaalsContact C-N 3.34Å; N36-L38 PolarHBondContact O-N 3.45Å; N36-E39 PolarHBondContact O-N 3.04Å; N36-E40 WeakPolarHBondContact O-CB 3.46Å; N36-E40 VanDerWaalsContact O-CG 3.3Å; N36-E40 WeakPolarHBondContact O-CG 3.42Å; N36-E40 PolarHBondContact O-N 3.49Å |
| 37 | Q | 92.8 | Very high | 94.5 | Very high | 51 Ų | 51 | 83.6 Ų | 83.6 | 24% | 0.238 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -62.1 | -39.5 | 176.6 | -73.2 | -75.1 | 0.3 | 0 | 0 | 112.8 | F33 A34 R35 R41 | F33-Q37 HydrophobicContact CD1-CG 4.21Å; F33-Q37 HydrophobicContact CE1-CG 3.87Å; F33-Q37 HydrophobicContact CE2-CG 4.39Å; F33-Q37 HydrophobicContact CZ-CG 3.98Å; F33-Q37 VanDerWaalsContact O-CG 3.29Å; F33-Q37 WeakPolarHBondContact O-CG 3.38Å; F33-Q37 PolarHBondContact O-N 2.86Å; A34-Q37 PolarHBondContact O-N 3.46Å; R35-Q37 PolarHBondContact O-N 2.85Å; Q37-R41 VanDerWaalsContact O-CG 3.28Å; Q37-R41 WeakPolarHBondContact O-CG 3.45Å; Q37-R41 PolarHBondContact O-N 3.21Å |
| 38 | L | 95.6 | Very high | 94.9 | Very high | 108 Ų | 108 | 81.6 Ų | 81.6 | 57% | 0.565 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -67.3 | -42.6 | 175.9 | -72.6 | 172.8 | 0 | 0 | 0 | 111.6 | A34 R35 N36 R41 R42 | A34-L38 WeakPolarHBondContact O-CG 3.18Å; A34-L38 PolarHBondContact O-N 2.93Å; R35-L38 PolarHBondContact O-N 2.88Å; N36-L38 VanDerWaalsContact C-N 3.34Å; N36-L38 PolarHBondContact O-N 3.45Å; L38-R41 PolarHBondContact O-N 3.05Å; L38-R42 WeakPolarHBondContact O-CB 3.37Å; L38-R42 PolarHBondContact O-N 2.83Å |
| 39 | E | 95.3 | Very high | 95.2 | Very high | 85 Ų | 85 | 79.7 Ų | 79.7 | 40% | 0.397 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.3 | -45.2 | 175.8 | -173.9 | 177.3 | 177.6 | 0 | 0 | 111.6 | R35 N36 R41 R42 I43 | R35-E39 PolarHBondContact O-N 3.3Å; N36-E39 PolarHBondContact O-N 3.04Å; E39-R41 VanDerWaalsContact C-N 3.34Å; E39-R41 PolarHBondContact O-N 2.72Å; E39-R42 PolarHBondContact O-N 2.82Å; E39-I43 HydrophobicContact CG-CD1 3.98Å; E39-I43 WeakPolarHBondContact O-CG1 3.29Å; E39-I43 PolarHBondContact O-N 3.21Å |
| 40 | E | 95.1 | Very high | 95.5 | Very high | 48 Ų | 48 | 81 Ų | 81 | 22% | 0.224 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -57.7 | -45.3 | 175.1 | -76.7 | -171.1 | -173.1 | 0 | 0 | 112.1 | N36 I43 F44 Y88 V167 | N36-E40 WeakPolarHBondContact O-CB 3.46Å; N36-E40 VanDerWaalsContact O-CG 3.3Å; N36-E40 WeakPolarHBondContact O-CG 3.42Å; N36-E40 PolarHBondContact O-N 3.49Å; E40-I43 PolarHBondContact O-N 3.33Å; E40-F44 VanDerWaalsContact O-CB 3.29Å; E40-F44 WeakPolarHBondContact O-CB 3.27Å; E40-F44 PolarHBondContact O-N 3.18Å; E40-Y88 PolarHBondContact OE2-OH 2.88Å; E40-V167 HydrophobicContact CB-CG2 3.9Å; E40-V167 VanDerWaalsContact CD-CG2 3.49Å; E40-V167 HydrophobicContact CG-CB 4.26Å; E40-V167 HydrophobicContact CG-CG2 3.48Å; E40-V167 VanDerWaalsContact CG-CG2 3.48Å |
| 41 | R | 96.6 | Very high | 95.8 | Very high | 169 Ų | 169 | 77.9 Ų | 77.9 | 64% | 0.638 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -64.1 | -42.3 | 177.2 | -74.5 | 175 | -175.5 | -163.7 | 0.4 | 112 | Q37 L38 E39 F44 N45 | Q37-R41 VanDerWaalsContact O-CG 3.28Å; Q37-R41 WeakPolarHBondContact O-CG 3.45Å; Q37-R41 PolarHBondContact O-N 3.21Å; L38-R41 PolarHBondContact O-N 3.05Å; E39-R41 VanDerWaalsContact C-N 3.34Å; E39-R41 PolarHBondContact O-N 2.72Å; R41-F44 PolarHBondContact O-N 2.96Å; R41-N45 VanDerWaalsContact O-CB 3.28Å; R41-N45 WeakPolarHBondContact O-CB 3.48Å; R41-N45 PolarHBondContact O-N 2.76Å |
| 42 | R | 97.2 | Very high | 96 | Very high | 183 Ų | 183 | 78.7 Ų | 78.7 | 69% | 0.691 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -60.1 | -51 | 177.3 | -176.8 | 179.5 | 178.3 | 177 | 1.4 | 110.6 | L38 E39 F44 N45 D46 | L38-R42 WeakPolarHBondContact O-CB 3.37Å; L38-R42 PolarHBondContact O-N 2.83Å; E39-R42 PolarHBondContact O-N 2.82Å; R42-F44 PolarHBondContact O-N 3Å; R42-N45 PolarHBondContact O-N 3.01Å; R42-D46 VanDerWaalsContact O-CG 3.3Å; R42-D46 PolarHBondContact O-N 3.41Å |
| 43 | I | 97.2 | Very high | 96.2 | Very high | 14 Ų | 14 | 78.6 Ų | 78.6 | 7% | 0.072 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60 | -48.1 | 178.6 | -68.7 | 168.9 | 0 | 0 | 0 | 110.5 | E39 E40 N45 D46 Y47 P165 V167 R168 | E39-I43 HydrophobicContact CG-CD1 3.98Å; E39-I43 WeakPolarHBondContact O-CG1 3.29Å; E39-I43 PolarHBondContact O-N 3.21Å; E40-I43 PolarHBondContact O-N 3.33Å; I43-N45 VanDerWaalsContact C-N 3.34Å; I43-N45 PolarHBondContact O-N 3.1Å; I43-D46 PolarHBondContact O-N 3.04Å; I43-Y47 HydrophobicContact CG2-CD2 3.9Å; I43-Y47 HydrophobicContact CG2-CE2 3.81Å; I43-Y47 WeakPolarHBondContact O-CD2 3.29Å; I43-Y47 PolarHBondContact O-N 3.11Å; I43-Y47 VanDerWaalsContact O-N 3.15Å; I43-P165 HydrophobicContact CD1-CG 3.18Å; I43-V167 HydrophobicContact CG2-CG1 4.39Å; I43-R168 HydrophobicContact CG2-CB 4.19Å |
| 44 | F | 97.7 | Very high | 96.4 | Very high | 42 Ų | 42 | 76.1 Ų | 76.1 | 18% | 0.184 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.5 | -42.4 | 178.7 | 175.2 | -112.1 | 0 | 0 | 0 | 112.4 | E40 R41 R42 D46 Y47 C48 K87 Y88 P91 L92 V167 | E40-F44 VanDerWaalsContact O-CB 3.29Å; E40-F44 WeakPolarHBondContact O-CB 3.27Å; E40-F44 PolarHBondContact O-N 3.18Å; R41-F44 PolarHBondContact O-N 2.96Å; R42-F44 PolarHBondContact O-N 3Å; F44-D46 PolarHBondContact O-N 3.28Å; F44-Y47 WeakPolarHBondContact O-CB 3.29Å; F44-Y47 PolarHBondContact O-N 2.91Å; F44-Y47 VanDerWaalsContact O-N 3.15Å; F44-C48 VanDerWaalsContact CE1-SG 3.52Å; F44-C48 WeakPolarHBondContact CZ-SG 3.27Å; F44-C48 PolarHBondContact O-N 3.23Å; F44-C48 PolarHBondContact O-SG 3.24Å; F44-K87 WeakPolarHBondContact CZ-O 3.44Å; F44-Y88 HydrophobicContact CB-CD1 4.32Å; F44-Y88 AromaticContact CD2-CD1 3.92Å; F44-Y88 HydrophobicContact CD2-CD1 3.92Å; F44-Y88 WeakPolarHBondContact CE2-O 3.34Å; F44-Y88 HydrophobicContact CG-CD1 4.15Å; F44-P91 HydrophobicContact CZ-CB 4.05Å; F44-P91 HydrophobicContact CZ-CG 4.1Å; F44-L92 HydrophobicContact CE2-CD2 4.09Å; F44-L92 HydrophobicContact CE2-CG 4.19Å; F44-V167 HydrophobicContact CB-CG1 4.17Å |
| 45 | N | 97.8 | Very high | 96.5 | Very high | 84 Ų | 84 | 76.3 Ų | 76.3 | 45% | 0.449 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.2 | -42.4 | 176.8 | -172.9 | 53.7 | 0 | 0 | 0 | 112 | R41 R42 I43 Y47 C48 L49 | R41-N45 VanDerWaalsContact O-CB 3.28Å; R41-N45 WeakPolarHBondContact O-CB 3.48Å; R41-N45 PolarHBondContact O-N 2.76Å; R42-N45 PolarHBondContact O-N 3.01Å; I43-N45 VanDerWaalsContact C-N 3.34Å; I43-N45 PolarHBondContact O-N 3.1Å; N45-Y47 PolarHBondContact O-N 3.46Å; N45-C48 WeakPolarHBondContact O-CB 3.28Å; N45-C48 PolarHBondContact O-N 2.93Å; N45-C48 VanDerWaalsContact O-N 3.09Å; N45-L49 WeakPolarHBondContact O-CG 3.49Å; N45-L49 PolarHBondContact O-N 2.81Å |
| 46 | D | 97.9 | Very high | 96.6 | Very high | 74 Ų | 74 | 76 Ų | 76 | 40% | 0.396 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59 | -36.2 | 175.2 | -66.7 | -13.8 | 0 | 0 | 0 | 111.6 | R42 I43 F44 K50 | R42-D46 VanDerWaalsContact O-CG 3.3Å; R42-D46 PolarHBondContact O-N 3.41Å; I43-D46 PolarHBondContact O-N 3.04Å; F44-D46 PolarHBondContact O-N 3.28Å; D46-K50 WeakPolarHBondContact O-CG 3.42Å; D46-K50 PolarHBondContact O-N 3.31Å |
| 47 | Y | 98.3 | Very high | 96.8 | Very high | 29 Ų | 29 | 77.4 Ų | 77.4 | 11% | 0.114 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -73.2 | -36.4 | 173.8 | -81.2 | -74.3 | 0 | 0 | 0 | 113.3 | I43 F44 N45 L49 K50 A51 R168 C171 Q172 M175 | I43-Y47 HydrophobicContact CG2-CD2 3.9Å; I43-Y47 HydrophobicContact CG2-CE2 3.81Å; I43-Y47 WeakPolarHBondContact O-CD2 3.29Å; I43-Y47 PolarHBondContact O-N 3.11Å; I43-Y47 VanDerWaalsContact O-N 3.15Å; F44-Y47 WeakPolarHBondContact O-CB 3.29Å; F44-Y47 PolarHBondContact O-N 2.91Å; F44-Y47 VanDerWaalsContact O-N 3.15Å; N45-Y47 PolarHBondContact O-N 3.46Å; Y47-L49 VanDerWaalsContact C-N 3.32Å; Y47-L49 PolarHBondContact O-N 3.22Å; Y47-K50 PolarHBondContact O-N 3.31Å; Y47-A51 WeakPolarHBondContact O-CB 3.06Å; Y47-A51 PolarHBondContact O-N 3.08Å; Y47-R168 HydrophobicContact CE2-CG 4.23Å; Y47-C171 HydrophobicContact CD1-CB 3.76Å; Y47-C171 HydrophobicContact CD2-CB 3.26Å; Y47-C171 HydrophobicContact CE1-CB 4.09Å; Y47-C171 HydrophobicContact CE2-CB 3.67Å; Y47-C171 HydrophobicContact CG-CB 3.34Å; Y47-Q172 HydrophobicContact CE1-CG 4.29Å; Y47-Q172 WeakPolarHBondContact OH-CG 3.38Å; Y47-Q172 PolarHBondContact OH-NE2 2.85Å; Y47-M175 HydrophobicContact CD1-CG 3.4Å; Y47-M175 HydrophobicContact CD1-SD 4.18Å; Y47-M175 HydrophobicContact CE1-CG 3.72Å |
| 48 | C | 98.4 | Very high | 96.8 | Very high | 12 Ų | 12 | 81.1 Ų | 81.1 | 8% | 0.081 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.9 | -42.3 | 173.9 | -66.1 | 0 | 0 | 0 | 0 | 111.4 | F44 N45 A51 R52 L92 F95 | F44-C48 VanDerWaalsContact CE1-SG 3.52Å; F44-C48 WeakPolarHBondContact CZ-SG 3.27Å; F44-C48 PolarHBondContact O-N 3.23Å; F44-C48 PolarHBondContact O-SG 3.24Å; N45-C48 WeakPolarHBondContact O-CB 3.28Å; N45-C48 PolarHBondContact O-N 2.93Å; N45-C48 VanDerWaalsContact O-N 3.09Å; C48-A51 PolarHBondContact O-N 3.38Å; C48-R52 VanDerWaalsContact O-CB 3.3Å; C48-R52 WeakPolarHBondContact O-CB 3.28Å; C48-R52 PolarHBondContact O-N 2.91Å; C48-L92 HydrophobicContact CB-CD2 4.24Å; C48-F95 HydrophobicContact CB-CD2 3.99Å; C48-F95 HydrophobicContact CB-CE2 3.88Å |
| 49 | L | 97.9 | Very high | 96.6 | Very high | 67 Ų | 67 | 80.5 Ų | 80.5 | 35% | 0.351 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.9 | -45.4 | 176.2 | -67.9 | 174.9 | 0 | 0 | 0 | 111.3 | N45 Y47 R52 D53 | N45-L49 WeakPolarHBondContact O-CG 3.49Å; N45-L49 PolarHBondContact O-N 2.81Å; Y47-L49 VanDerWaalsContact C-N 3.32Å; Y47-L49 PolarHBondContact O-N 3.22Å; L49-R52 WeakPolarHBondContact O-CB 3.39Å; L49-R52 PolarHBondContact O-N 3.21Å; L49-D53 PolarHBondContact O-N 3.22Å; L49-D53 VanDerWaalsContact O-N 3.1Å |
| 50 | K | 97.6 | Very high | 96.6 | Very high | 88 Ų | 88 | 78 Ų | 78 | 38% | 0.383 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.3 | -46.1 | 176.2 | -69 | 173.1 | -176.7 | -179.8 | 0 | 112.4 | D46 Y47 R52 D53 Y54 M175 | D46-K50 WeakPolarHBondContact O-CG 3.42Å; D46-K50 PolarHBondContact O-N 3.31Å; Y47-K50 PolarHBondContact O-N 3.31Å; K50-R52 VanDerWaalsContact C-N 3.29Å; K50-R52 PolarHBondContact O-N 3.29Å; K50-D53 WeakPolarHBondContact O-CB 3.05Å; K50-D53 PolarHBondContact O-N 2.88Å; K50-D53 VanDerWaalsContact O-N 3.13Å; K50-Y54 WeakPolarHBondContact O-CD2 3.21Å; K50-Y54 PolarHBondContact O-N 3.09Å; K50-M175 HydrophobicContact CB-CE 4.1Å |
| 51 | A | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 82.3 Ų | 82.3 | 0% | 0 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -61.7 | -38.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y47 C48 D53 Y54 G55 L92 F95 A96 M175 I178 | Y47-A51 WeakPolarHBondContact O-CB 3.06Å; Y47-A51 PolarHBondContact O-N 3.08Å; C48-A51 PolarHBondContact O-N 3.38Å; A51-D53 VanDerWaalsContact C-N 3.29Å; A51-D53 PolarHBondContact O-N 3.39Å; A51-Y54 WeakPolarHBondContact O-CB 3.41Å; A51-Y54 PolarHBondContact O-N 3.38Å; A51-G55 PolarHBondContact O-N 3.45Å; A51-L92 HydrophobicContact CB-CB 4.14Å; A51-L92 HydrophobicContact CB-CD2 4.06Å; A51-F95 HydrophobicContact CB-CB 3.94Å; A51-F95 CarbonylContact O-C 3.42Å; A51-A96 VanDerWaalsContact O-CA 3.32Å; A51-A96 WeakPolarHBondContact O-CA 3.48Å; A51-M175 HydrophobicContact CB-SD 4.09Å; A51-I178 HydrophobicContact CB-CD1 4.04Å |
| 52 | R | 97.8 | Very high | 96.1 | Very high | 91 Ų | 91 | 82.3 Ų | 82.3 | 34% | 0.343 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.8 | -36.6 | 174.1 | -177.7 | -164.4 | 68.8 | -177.6 | -1.4 | 112.1 | C48 L49 K50 Y54 G55 R56 | C48-R52 VanDerWaalsContact O-CB 3.3Å; C48-R52 WeakPolarHBondContact O-CB 3.28Å; C48-R52 PolarHBondContact O-N 2.91Å; L49-R52 WeakPolarHBondContact O-CB 3.39Å; L49-R52 PolarHBondContact O-N 3.21Å; K50-R52 VanDerWaalsContact C-N 3.29Å; K50-R52 PolarHBondContact O-N 3.29Å; R52-Y54 VanDerWaalsContact C-N 3.33Å; R52-G55 PolarHBondContact O-N 2.88Å; R52-R56 WeakPolarHBondContact O-CG 3.47Å; R52-R56 PolarHBondContact O-N 3.4Å; R52-R56 VanDerWaalsContact O-N 3.12Å |
| 53 | D | 97.2 | Very high | 95.9 | Very high | 81 Ų | 81 | 79.8 Ų | 79.8 | 43% | 0.433 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.9 | -39.5 | 177.8 | -60.9 | -22.1 | 0 | 0 | 0 | 110.8 | L49 K50 A51 R56 | L49-D53 PolarHBondContact O-N 3.22Å; L49-D53 VanDerWaalsContact O-N 3.1Å; K50-D53 WeakPolarHBondContact O-CB 3.05Å; K50-D53 PolarHBondContact O-N 2.88Å; K50-D53 VanDerWaalsContact O-N 3.13Å; A51-D53 VanDerWaalsContact C-N 3.29Å; A51-D53 PolarHBondContact O-N 3.39Å; D53-R56 PolarHBondContact O-N 3.47Å |
| 54 | Y | 96.3 | Very high | 95.6 | Very high | 79 Ų | 79 | 85.9 Ų | 85.9 | 31% | 0.31 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60.8 | -43 | 169.1 | -78 | -84.1 | 0 | 0 | 0 | 112.6 | K50 A51 R52 R56 E57 M175 I178 | K50-Y54 WeakPolarHBondContact O-CD2 3.21Å; K50-Y54 PolarHBondContact O-N 3.09Å; A51-Y54 WeakPolarHBondContact O-CB 3.41Å; A51-Y54 PolarHBondContact O-N 3.38Å; R52-Y54 VanDerWaalsContact C-N 3.33Å; Y54-R56 PolarHBondContact O-N 3.45Å; Y54-E57 WeakPolarHBondContact O-CB 3.26Å; Y54-E57 PolarHBondContact O-N 2.97Å; Y54-E57 VanDerWaalsContact O-N 3.13Å; Y54-M175 HydrophobicContact CD2-CE 3.77Å; Y54-M175 HydrophobicContact CE2-CE 3.48Å; Y54-M175 VanDerWaalsContact CE2-CE 3.48Å; Y54-I178 HydrophobicContact CD1-CG2 3.94Å; Y54-I178 HydrophobicContact CD2-CG2 3.64Å; Y54-I178 HydrophobicContact CE1-CG2 4.46Å; Y54-I178 HydrophobicContact CE2-CG2 4.21Å; Y54-I178 HydrophobicContact CG-CG2 3.5Å; Y54-I178 VanDerWaalsContact CG-CG2 3.5Å |
| 55 | G | 96.3 | Very high | 95.3 | Very high | 35 Ų | 35 | 86.8 Ų | 86.8 | 36% | 0.361 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -69.5 | -9.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | A51 R52 F95 | A51-G55 PolarHBondContact O-N 3.45Å; R52-G55 PolarHBondContact O-N 2.88Å; G55-F95 WeakPolarHBondContact CA-O 3.4Å |
| 56 | R | 96.6 | Very high | 95.1 | Very high | 169 Ų | 169 | 87.5 Ų | 87.5 | 64% | 0.638 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -6.8 | 174.2 | -74.1 | 173.8 | 173.3 | -170.1 | -4.7 | 113 | R52 D53 Y54 | R52-R56 WeakPolarHBondContact O-CG 3.47Å; R52-R56 PolarHBondContact O-N 3.4Å; R52-R56 VanDerWaalsContact O-N 3.12Å; D53-R56 PolarHBondContact O-N 3.47Å; Y54-R56 PolarHBondContact O-N 3.45Å |
| 57 | E | 94.7 | Very high | 95 | Very high | 116 Ų | 116 | 85.1 Ų | 85.1 | 54% | 0.542 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -64.7 | 131.3 | 175.7 | -66.4 | 178.7 | 174.2 | 0 | 0 | 109.5 | Y54 I59 | Y54-E57 WeakPolarHBondContact O-CB 3.26Å; Y54-E57 PolarHBondContact O-N 2.97Å; Y54-E57 VanDerWaalsContact O-N 3.13Å; E57-I59 PolarHBondContact O-N 2.89Å |
| 58 | P | 93.5 | Very high | 94.9 | Very high | 130 Ų | 130 | 83.9 Ų | 83.9 | 84% | 0.844 | 44% | 0.436 | S | S | * | . | P | Polyproline II helix | trans | -68.2 | 134.6 | -179.6 | 28.3 | -33.8 | 0 | 0 | 0 | 110.2 | ||
| 59 | I | 92 | Very high | 94.6 | Very high | 95 Ų | 95 | 83.4 Ų | 83.4 | 49% | 0.487 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -99.4 | 144.1 | 173.6 | -60.2 | 172.2 | 0 | 0 | 0 | 107.9 | E57 E63 P65 | E57-I59 PolarHBondContact O-N 2.89Å; I59-E63 HydrophobicContact CG2-CB 3.7Å; I59-E63 HydrophobicContact CG2-CG 3.89Å; I59-E63 WeakPolarHBondContact CG2-O 3.47Å; I59-P65 HydrophobicContact CD1-CB 4.42Å |
| 60 | G | 93.5 | Very high | 94.4 | Very high | 32 Ų | 32 | 80.2 Ų | 80.2 | 33% | 0.33 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 147.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L62 E63 | G60-L62 PolarHBondContact O-N 3.46Å; G60-E63 PolarHBondContact N-OE2 3.39Å; G60-E63 PolarHBondContact O-N 3.26Å |
| 61 | P | 91.2 | Very high | 93.9 | Very high | 139 Ų | 139 | 76.1 Ų | 76.1 | 90% | 0.903 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -16.8 | -173.2 | 24 | -34.7 | 0 | 0 | 0 | 114.8 | ||
| 62 | L | 92 | Very high | 93.4 | Very high | 168 Ų | 168 | 76.7 Ų | 76.7 | 88% | 0.88 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.7 | 2.2 | 178.1 | -62.4 | 175.1 | 0 | 0 | 0 | 112.7 | G60 | G60-L62 PolarHBondContact O-N 3.46Š|
| 63 | E | 91.7 | Very high | 92.6 | Very high | 131 Ų | 131 | 72.7 Ų | 72.7 | 61% | 0.612 | 39% | 0.388 | S | S | * | . | P | Polyproline II helix | trans | -89.4 | 130.3 | -179.2 | -177 | 175.7 | -162.7 | 0 | 0 | 109.5 | I59 G60 | I59-E63 HydrophobicContact CG2-CB 3.7Å; I59-E63 HydrophobicContact CG2-CG 3.89Å; I59-E63 WeakPolarHBondContact CG2-O 3.47Å; G60-E63 PolarHBondContact N-OE2 3.39Å; G60-E63 PolarHBondContact O-N 3.26Å |
| 64 | N | 90.9 | Very high | 91.1 | Very high | 142 Ų | 142 | 73.9 Ų | 73.9 | 76% | 0.759 | 40% | 0.395 | S | S | * | . | P | Polyproline II helix | trans | -78.9 | 144.2 | 176.5 | -71.5 | -52.2 | 0 | 0 | 0 | 110 | R66 | N64-R66 PolarHBondContact O-N 3.04Š|
| 65 | P | 92.3 | Very high | 89.3 | Confident | 60 Ų | 60 | 75.3 Ų | 75.3 | 39% | 0.39 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 141.3 | 172.2 | 27 | -34.2 | 0 | 0 | 0 | 109.9 | I59 K67 | I59-P65 HydrophobicContact CD1-CB 4.42Å; P65-K67 PolarHBondContact O-N 3.39Å |
| 66 | R | 94 | Very high | 87.5 | Confident | 99 Ų | 99 | 75.6 Ų | 75.6 | 37% | 0.374 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 132.2 | 178.9 | -72.2 | -175.5 | -66.4 | 160.2 | -0.9 | 110.9 | N64 L98 K99 D122 I178 | N64-R66 PolarHBondContact O-N 3.04Å; R66-L98 HydrophobicContact CB-CD2 3.85Å; R66-K99 PolarHBondContact O-N 3.43Å; R66-D122 VanDerWaalsContact CA-OD2 3.26Å; R66-D122 WeakPolarHBondContact CA-OD2 3.42Å; R66-I178 PolarHBondContact NH1-O 3.31Å; R66-I178 PolarHBondContact NH2-O 2.85Å |
| 67 | K | 95.1 | Very high | 85.3 | Confident | 25 Ų | 25 | 75.7 Ų | 75.7 | 11% | 0.109 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 122.6 | -179.5 | -176.8 | 177.2 | 168.7 | 158.3 | 0 | 110.4 | P65 K99 D101 E117 S121 D122 T123 | P65-K67 PolarHBondContact O-N 3.39Å; K67-K99 CarbonylContact C-O 3.47Å; K67-K99 WeakPolarHBondContact CA-O 3.34Å; K67-D101 WeakPolarHBondContact CE-OD2 3.45Å; K67-D101 IonicContact NZ-OD2 3.34Å; K67-D101 PolarHBondContact NZ-OD2 3Å; K67-E117 IonicContact NZ-OE1 3.01Å; K67-E117 PolarHBondContact NZ-OE1 2.95Å; K67-S121 WeakPolarHBondContact CE-OG 3.41Å; K67-D122 PolarHBondContact N-OD2 3.44Å; K67-D122 PolarHBondContact O-N 2.64Å; K67-T123 PolarHBondContact O-N 2.92Å |
| 68 | V | 95 | Very high | 83.2 | Confident | 3 Ų | 3 | 75.4 Ų | 75.4 | 2% | 0.018 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 120.4 | 173.8 | -179 | 0 | 0 | 0 | 0 | 108.8 | V70 L98 K99 V100 D101 T123 V177 | V68-V70 HydrophobicContact CG1-CG2 4.48Å; V68-L98 HydrophobicContact CG2-CB 4.44Å; V68-L98 HydrophobicContact CG2-CD1 4.01Å; V68-K99 PolarHBondContact N-O 2.81Å; V68-V100 WeakPolarHBondContact O-CA 3.41Å; V68-D101 PolarHBondContact O-N 3.24Å; V68-T123 WeakPolarHBondContact CA-O 3.29Å; V68-V177 HydrophobicContact CG1-CG1 4.16Å; V68-V177 HydrophobicContact CG2-CG1 3.92Å |
| 69 | T | 93.2 | Very high | 82.4 | Confident | 1 Ų | 1 | 74.3 Ų | 74.3 | 1% | 0.006 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 119.7 | 173.2 | -63.8 | 0 | 0 | 0 | 0 | 109.7 | L71 D101 W118 S121 T123 L124 Y125 | T69-L71 HydrophobicContact CG2-CD2 3.63Å; T69-D101 CarbonylContact C-O 3.56Å; T69-D101 VanDerWaalsContact CA-O 3.27Å; T69-D101 WeakPolarHBondContact CA-O 3.27Å; T69-W118 HydrophobicContact CG2-CD2 4.35Å; T69-W118 HydrophobicContact CG2-CG 3.84Å; T69-S121 WeakPolarHBondContact CB-OG 3.41Å; T69-S121 WeakPolarHBondContact OG1-CB 3.43Å; T69-S121 PolarHBondContact OG1-OG 3Å; T69-T123 PolarHBondContact N-O 3.46Å; T69-L124 HydrophobicContact CG2-CD1 4.22Å; T69-L124 CarbonylContact O-C 3.55Å; T69-L124 WeakPolarHBondContact O-CA 3.36Å; T69-Y125 PolarHBondContact O-N 3.15Å |
| 70 | V | 92.5 | Very high | 81.9 | Confident | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 117.6 | -179.8 | -179.5 | 0 | 0 | 0 | 0 | 108.8 | V68 V72 F85 L93 V100 D101 I102 A103 Y125 V127 | V68-V70 HydrophobicContact CG1-CG2 4.48Å; V70-V72 HydrophobicContact CG1-CG2 4.22Å; V70-F85 HydrophobicContact CB-CZ 4.28Å; V70-F85 HydrophobicContact CG1-CE1 3.83Å; V70-F85 HydrophobicContact CG1-CE2 4.14Å; V70-F85 HydrophobicContact CG1-CZ 3.54Å; V70-F85 HydrophobicContact CG2-CZ 3.78Å; V70-L93 HydrophobicContact CG2-CD1 4.42Å; V70-V100 HydrophobicContact CG2-CG1 3.62Å; V70-D101 PolarHBondContact N-O 3.31Å; V70-I102 HydrophobicContact CB-CG1 4.07Å; V70-I102 HydrophobicContact CG2-CG1 4.45Å; V70-A103 PolarHBondContact O-N 2.96Å; V70-Y125 CarbonylContact C-O 3.58Å; V70-Y125 VanDerWaalsContact CA-O 3.28Å; V70-Y125 WeakPolarHBondContact CA-O 3.29Å; V70-Y125 HydrophobicContact CG2-CD1 4.36Å; V70-V127 HydrophobicContact CG1-CG2 3.63Å |
| 71 | L | 88.5 | Confident | 81.5 | Confident | 2 Ų | 2 | 75.1 Ų | 75.1 | 1% | 0.01 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 125.4 | 176.8 | -50 | -164.8 | 0 | 0 | 0 | 110.9 | T69 A103 L105 W118 L124 Y125 L126 V127 | T69-L71 HydrophobicContact CG2-CD2 3.63Å; L71-A103 WeakPolarHBondContact CA-O 3.36Å; L71-A103 HydrophobicContact CD2-CB 4.36Å; L71-L105 HydrophobicContact CB-CD1 3.88Å; L71-L105 HydrophobicContact CD1-CD1 3.84Å; L71-W118 HydrophobicContact CB-CH2 4.47Å; L71-W118 HydrophobicContact CD1-CD2 4.26Å; L71-W118 HydrophobicContact CD1-CE3 3.6Å; L71-W118 HydrophobicContact CD1-CH2 3.38Å; L71-W118 HydrophobicContact CD1-CZ2 4.19Å; L71-W118 HydrophobicContact CD1-CZ3 3.13Å; L71-W118 HydrophobicContact CD2-CD2 3.61Å; L71-W118 HydrophobicContact CD2-CE3 3.84Å; L71-W118 HydrophobicContact CD2-CG 4.33Å; L71-W118 HydrophobicContact CD2-CH2 3.24Å; L71-W118 HydrophobicContact CD2-CZ2 3.12Å; L71-W118 HydrophobicContact CD2-CZ3 3.69Å; L71-W118 HydrophobicContact CG-CE3 4.35Å; L71-W118 HydrophobicContact CG-CH2 3.86Å; L71-W118 HydrophobicContact CG-CZ2 4.22Å; L71-W118 HydrophobicContact CG-CZ3 4.03Å; L71-L124 HydrophobicContact CD1-CD1 3.69Å; L71-L124 HydrophobicContact CD1-CD2 3.73Å; L71-L124 HydrophobicContact CD1-CG 3.87Å; L71-L124 HydrophobicContact CD2-CD1 3.71Å; L71-L124 HydrophobicContact CG-CD1 3.51Å; L71-L124 HydrophobicContact CG-CD2 4.33Å; L71-L124 HydrophobicContact CG-CG 3.9Å; L71-Y125 PolarHBondContact N-O 3.28Å; L71-L126 HydrophobicContact CB-CD2 3.58Å; L71-L126 HydrophobicContact CD1-CD2 3.5Å; L71-L126 HydrophobicContact CG-CD2 3.65Å; L71-V127 PolarHBondContact O-N 2.87Å |
| 72 | V | 87.4 | Confident | 81.4 | Confident | 13 Ų | 13 | 71.6 Ų | 71.6 | 8% | 0.079 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 118.1 | -176.2 | -173 | 0 | 0 | 0 | 0 | 110 | V70 F76 W82 I102 A103 L105 | V70-V72 HydrophobicContact CG1-CG2 4.22Å; V72-F76 HydrophobicContact CG1-CD2 3.74Å; V72-F76 HydrophobicContact CG1-CE2 4.3Å; V72-W82 HydrophobicContact CB-CE3 4.48Å; V72-W82 HydrophobicContact CB-CZ3 4.49Å; V72-W82 HydrophobicContact CG1-CE3 3.88Å; V72-W82 HydrophobicContact CG1-CZ3 4.36Å; V72-W82 HydrophobicContact CG2-CE3 3.72Å; V72-W82 HydrophobicContact CG2-CH2 4.18Å; V72-W82 HydrophobicContact CG2-CZ3 3.33Å; V72-I102 HydrophobicContact CG2-CG2 3.91Å; V72-A103 PolarHBondContact N-O 3.48Å; V72-L105 WeakPolarHBondContact O-CB 3.35Å; V72-L105 PolarHBondContact O-N 3.21Å |
| 73 | G | 79.9 | Confident | 81.4 | Confident | 6 Ų | 6 | 70 Ų | 70 | 6% | 0.062 | 33% | 0.332 | C | S | . | . | trans | -47.4 | 143.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q75 F76 V127 E132 | G73-Q75 PolarHBondContact O-N 3.15Å; G73-F76 VanDerWaalsContact O-CD2 3.22Å; G73-F76 WeakPolarHBondContact O-CD2 3.49Å; G73-V127 PolarHBondContact N-O 3.28Å; G73-E132 VanDerWaalsContact CA-OE1 3.27Å; G73-E132 WeakPolarHBondContact CA-OE1 3.42Å; G73-E132 WeakPolarHBondContact CA-OE2 3.14Å | ||
| 74 | D | 67.3 | Low | 81.4 | Confident | 107 Ų | 107 | 66.7 Ų | 66.7 | 57% | 0.572 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -31.1 | 177.1 | -173.5 | 15 | 0 | 0 | 0 | 111.8 | F76 A106 | D74-F76 VanDerWaalsContact C-N 3.27Å; D74-F76 PolarHBondContact O-N 3.12Å; D74-A106 HydrophobicContact CB-CB 3.67Å; D74-A106 WeakPolarHBondContact OD1-CB 3.48Å |
| 75 | Q | 58.8 | Low | 81.6 | Confident | 108 Ų | 108 | 60 Ų | 60 | 51% | 0.505 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 18.9 | -173.1 | -63.3 | -168.9 | -20.2 | 0 | 0 | 114.3 | G73 Q77 E132 | G73-Q75 PolarHBondContact O-N 3.15Å; Q75-Q77 PolarHBondContact O-N 2.74Å; Q75-E132 PolarHBondContact N-OE1 3.39Å |
| 76 | F | 56.7 | Low | 81.7 | Confident | 41 Ų | 41 | 61.7 Ų | 61.7 | 18% | 0.18 | 28% | 0.283 | C | S | . | . | trans | -76 | 32.6 | 171.2 | -75.7 | -64.8 | 0 | 0 | 0 | 114.2 | V72 G73 D74 N78 Q79 T81 V127 | V72-F76 HydrophobicContact CG1-CD2 3.74Å; V72-F76 HydrophobicContact CG1-CE2 4.3Å; G73-F76 VanDerWaalsContact O-CD2 3.22Å; G73-F76 WeakPolarHBondContact O-CD2 3.49Å; D74-F76 VanDerWaalsContact C-N 3.27Å; D74-F76 PolarHBondContact O-N 3.12Å; F76-N78 PolarHBondContact O-N 2.99Å; F76-Q79 PolarHBondContact O-N 3.32Å; F76-T81 HydrophobicContact CE1-CG2 3.6Å; F76-T81 HydrophobicContact CZ-CG2 3.77Å; F76-V127 WeakPolarHBondContact CE2-O 3.3Å | ||
| 77 | Q | 50.4 | Low | 81.8 | Confident | 172 Ų | 172 | 61.7 Ų | 61.7 | 80% | 0.804 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | -2 | 169.9 | -74.4 | -174 | -12.3 | 0 | 0 | 114.8 | Q75 | Q75-Q77 PolarHBondContact O-N 2.74Š|
| 78 | N | 51.6 | Low | 81.9 | Confident | 110 Ų | 110 | 61.2 Ų | 61.2 | 59% | 0.588 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -150.9 | 67.4 | 169.4 | -82.1 | -55.1 | 0 | 0 | 0 | 115.3 | F76 K80 | F76-N78 PolarHBondContact O-N 2.99Å; N78-K80 PolarHBondContact O-N 3.01Å |
| 79 | Q | 76.4 | Confident | 81.9 | Confident | 106 Ų | 106 | 61.1 Ų | 61.1 | 50% | 0.495 | 28% | 0.282 | S | S | . | . | S | Bend | trans | 55.6 | -27.8 | 142.1 | -64.7 | 175.9 | -7.4 | 0 | 0 | 122.7 | F76 R83 | F76-Q79 PolarHBondContact O-N 3.32Å; Q79-R83 WeakPolarHBondContact O-CB 3.45Å; Q79-R83 VanDerWaalsContact O-CD 3.27Å; Q79-R83 WeakPolarHBondContact O-CD 2.82Å; Q79-R83 WeakPolarHBondContact O-CG 3.38Å; Q79-R83 PolarHBondContact O-N 2.81Å; Q79-R83 VanDerWaalsContact O-N 3.1Å |
| 80 | K | 82.5 | Confident | 82.2 | Confident | 123 Ų | 123 | 62.1 Ų | 62.1 | 54% | 0.535 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -76.8 | -47 | -163.7 | -69.7 | 179.6 | -177.5 | 171.6 | 0 | 115 | N78 R83 K84 | N78-K80 PolarHBondContact O-N 3.01Å; K80-R83 PolarHBondContact O-N 3.4Å; K80-K84 WeakPolarHBondContact O-CG 3.45Å; K80-K84 PolarHBondContact O-N 3.28Å |
| 81 | T | 84.5 | Confident | 82.4 | Confident | 21 Ų | 21 | 63.9 Ų | 63.9 | 13% | 0.129 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.9 | -46.1 | -177.6 | -59.8 | 0 | 0 | 0 | 0 | 111.2 | F76 K84 F85 V127 F147 G149 | F76-T81 HydrophobicContact CE1-CG2 3.6Å; F76-T81 HydrophobicContact CZ-CG2 3.77Å; T81-K84 WeakPolarHBondContact O-CB 3.27Å; T81-K84 PolarHBondContact O-N 2.92Å; T81-K84 VanDerWaalsContact O-N 3.11Å; T81-F85 PolarHBondContact O-N 3.19Å; T81-V127 HydrophobicContact CG2-CG1 4.06Å; T81-F147 HydrophobicContact CG2-CD1 4.17Å; T81-F147 HydrophobicContact CG2-CE1 4.14Å; T81-G149 WeakPolarHBondContact CB-O 3.43Å; T81-G149 VanDerWaalsContact CG2-O 3.3Å; T81-G149 WeakPolarHBondContact CG2-O 3.42Å; T81-G149 PolarHBondContact OG1-O 3.19Å |
| 82 | W | 89 | Confident | 82.9 | Confident | 66 Ų | 66 | 63.8 Ų | 63.8 | 25% | 0.25 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -56.1 | -50.2 | 172.7 | 175.3 | -107.3 | 0 | 0 | 0 | 111.4 | V72 K84 F85 E86 I102 | V72-W82 HydrophobicContact CB-CE3 4.48Å; V72-W82 HydrophobicContact CB-CZ3 4.49Å; V72-W82 HydrophobicContact CG1-CE3 3.88Å; V72-W82 HydrophobicContact CG1-CZ3 4.36Å; V72-W82 HydrophobicContact CG2-CE3 3.72Å; V72-W82 HydrophobicContact CG2-CH2 4.18Å; V72-W82 HydrophobicContact CG2-CZ3 3.33Å; W82-K84 PolarHBondContact O-N 3.1Å; W82-F85 AromaticContact CE3-CD1 3.82Å; W82-F85 HydrophobicContact CE3-CD1 3.82Å; W82-F85 AromaticContact CH2-CD1 3.94Å; W82-F85 HydrophobicContact CH2-CD1 3.94Å; W82-F85 HydrophobicContact CH2-CE1 4.01Å; W82-F85 AromaticContact CZ3-CD1 3.37Å; W82-F85 HydrophobicContact CZ3-CD1 3.37Å; W82-F85 AromaticContact CZ3-CE1 3.69Å; W82-F85 HydrophobicContact CZ3-CE1 3.69Å; W82-F85 HydrophobicContact CZ3-CG 4.4Å; W82-F85 WeakPolarHBondContact O-CA 3.43Å; W82-F85 WeakPolarHBondContact O-CB 3.4Å; W82-F85 PolarHBondContact O-N 2.95Å; W82-E86 PolarHBondContact NE1-OE2 3.35Å; W82-E86 WeakPolarHBondContact O-CB 3.32Å; W82-E86 PolarHBondContact O-N 3.24Å; W82-I102 HydrophobicContact CH2-CD1 3.98Å; W82-I102 HydrophobicContact CH2-CG1 4.42Å; W82-I102 HydrophobicContact CH2-CG2 3.79Å; W82-I102 HydrophobicContact CZ3-CG2 4.26Å |
| 83 | R | 91.2 | Very high | 83.4 | Confident | 134 Ų | 134 | 63.2 Ų | 63.2 | 51% | 0.506 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -56 | -35.7 | 174.8 | -78.8 | 172.4 | 176.2 | 162.9 | 2 | 113.4 | Q79 K80 K87 | Q79-R83 WeakPolarHBondContact O-CB 3.45Å; Q79-R83 VanDerWaalsContact O-CD 3.27Å; Q79-R83 WeakPolarHBondContact O-CD 2.82Å; Q79-R83 WeakPolarHBondContact O-CG 3.38Å; Q79-R83 PolarHBondContact O-N 2.81Å; Q79-R83 VanDerWaalsContact O-N 3.1Å; K80-R83 PolarHBondContact O-N 3.4Å; R83-K87 WeakPolarHBondContact O-CB 3.4Å; R83-K87 PolarHBondContact O-N 3.14Å |
| 84 | K | 92.3 | Very high | 84.3 | Confident | 62 Ų | 62 | 67.9 Ų | 67.9 | 27% | 0.27 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -71.4 | -40.9 | 175.7 | -73.5 | 169.4 | 171 | -170.5 | 0 | 111.7 | K80 T81 W82 K87 Y88 F147 Y170 | K80-K84 WeakPolarHBondContact O-CG 3.45Å; K80-K84 PolarHBondContact O-N 3.28Å; T81-K84 WeakPolarHBondContact O-CB 3.27Å; T81-K84 PolarHBondContact O-N 2.92Å; T81-K84 VanDerWaalsContact O-N 3.11Å; W82-K84 PolarHBondContact O-N 3.1Å; K84-K87 PolarHBondContact O-N 3.48Å; K84-Y88 HydrophobicContact CB-CD2 4.29Å; K84-Y88 HydrophobicContact CG-CE2 4.48Å; K84-Y88 WeakPolarHBondContact O-CB 3.33Å; K84-Y88 VanDerWaalsContact O-CD2 3.29Å; K84-Y88 WeakPolarHBondContact O-CD2 3.48Å; K84-Y88 PolarHBondContact O-N 2.97Å; K84-F147 HydrophobicContact CB-CE1 4.32Å; K84-F147 HydrophobicContact CB-CZ 4.12Å; K84-Y170 HydrophobicContact CB-CE2 4.35Å; K84-Y170 HydrophobicContact CD-CE2 3.84Å; K84-Y170 WeakPolarHBondContact CD-OH 3.41Å; K84-Y170 HydrophobicContact CG-CE2 4.23Å; K84-Y170 PolarHBondContact NZ-OH 3.45Å |
| 85 | F | 94.2 | Very high | 85.7 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.6 | -52.8 | 174.3 | 171.4 | -95.5 | 0 | 0 | 0 | 110.6 | V70 T81 W82 K87 Y88 A89 L90 L93 Y125 V127 F147 | V70-F85 HydrophobicContact CB-CZ 4.28Å; V70-F85 HydrophobicContact CG1-CE1 3.83Å; V70-F85 HydrophobicContact CG1-CE2 4.14Å; V70-F85 HydrophobicContact CG1-CZ 3.54Å; V70-F85 HydrophobicContact CG2-CZ 3.78Å; T81-F85 PolarHBondContact O-N 3.19Å; W82-F85 AromaticContact CE3-CD1 3.82Å; W82-F85 HydrophobicContact CE3-CD1 3.82Å; W82-F85 AromaticContact CH2-CD1 3.94Å; W82-F85 HydrophobicContact CH2-CD1 3.94Å; W82-F85 HydrophobicContact CH2-CE1 4.01Å; W82-F85 AromaticContact CZ3-CD1 3.37Å; W82-F85 HydrophobicContact CZ3-CD1 3.37Å; W82-F85 AromaticContact CZ3-CE1 3.69Å; W82-F85 HydrophobicContact CZ3-CE1 3.69Å; W82-F85 HydrophobicContact CZ3-CG 4.4Å; W82-F85 WeakPolarHBondContact O-CA 3.43Å; W82-F85 WeakPolarHBondContact O-CB 3.4Å; W82-F85 PolarHBondContact O-N 2.95Å; F85-K87 VanDerWaalsContact C-N 3.27Å; F85-K87 PolarHBondContact O-N 2.95Å; F85-Y88 PolarHBondContact O-N 3.17Å; F85-A89 HydrophobicContact CD2-CB 3.61Å; F85-A89 HydrophobicContact CE2-CB 3.8Å; F85-A89 HydrophobicContact CG-CB 4.41Å; F85-A89 WeakPolarHBondContact O-CA 3.25Å; F85-A89 PolarHBondContact O-N 2.61Å; F85-L90 HydrophobicContact CD1-CB 4.36Å; F85-L90 HydrophobicContact CE1-CB 3.89Å; F85-L90 HydrophobicContact CE1-CD1 4.11Å; F85-L90 HydrophobicContact CE1-CD2 4.49Å; F85-L90 HydrophobicContact CE1-CG 4.39Å; F85-L90 HydrophobicContact CZ-CB 4.23Å; F85-L90 HydrophobicContact CZ-CD1 4.27Å; F85-L90 PolarHBondContact O-N 3.22Å; F85-L93 HydrophobicContact CZ-CD1 4.3Å; F85-Y125 HydrophobicContact CD2-CE1 4.46Å; F85-Y125 AromaticContact CE2-CD1 3.93Å; F85-Y125 HydrophobicContact CE2-CD1 3.93Å; F85-Y125 AromaticContact CE2-CE1 3.66Å; F85-Y125 HydrophobicContact CE2-CE1 3.66Å; F85-V127 HydrophobicContact CB-CG1 4.14Å; F85-V127 HydrophobicContact CB-CG2 4.41Å; F85-V127 HydrophobicContact CD1-CG2 4.26Å; F85-V127 HydrophobicContact CD2-CG2 3.46Å; F85-V127 VanDerWaalsContact CD2-CG2 3.46Å; F85-V127 HydrophobicContact CE1-CG2 4.48Å; F85-V127 HydrophobicContact CE2-CG2 3.72Å; F85-V127 HydrophobicContact CG-CG1 4.33Å; F85-V127 HydrophobicContact CG-CG2 3.76Å; F85-V127 HydrophobicContact CZ-CG2 4.24Å; F85-F147 HydrophobicContact CB-CD1 4.05Å; F85-F147 HydrophobicContact CB-CD2 4.5Å; F85-F147 HydrophobicContact CB-CE1 3.79Å; F85-F147 HydrophobicContact CB-CE2 4.27Å; F85-F147 HydrophobicContact CB-CG 4.4Å; F85-F147 HydrophobicContact CB-CZ 3.91Å; F85-F147 HydrophobicContact CD2-CB 4.36Å; F85-F147 HydrophobicContact CD2-CD1 4.42Å; F85-F147 AromaticContact CD2-CD2 3.83Å; F85-F147 HydrophobicContact CD2-CD2 3.83Å; F85-F147 HydrophobicContact CD2-CE2 4.2Å; F85-F147 AromaticContact CD2-CG 3.94Å; F85-F147 HydrophobicContact CD2-CG 3.94Å |
| 86 | E | 95.2 | Very high | 87.6 | Confident | 96 Ų | 96 | 63 Ų | 63 | 45% | 0.449 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.3 | -38.6 | 177.8 | -171.7 | -177.4 | -178.1 | 0 | 0 | 112.1 | W82 L90 P91 | W82-E86 PolarHBondContact NE1-OE2 3.35Å; W82-E86 WeakPolarHBondContact O-CB 3.32Å; W82-E86 PolarHBondContact O-N 3.24Å; E86-L90 HydrophobicContact CG-CD2 4.28Å; E86-P91 VanDerWaalsContact O-CD 3.26Å; E86-P91 WeakPolarHBondContact O-CD 3.49Å |
| 87 | K | 95.8 | Very high | 89.5 | Confident | 99 Ų | 99 | 63 Ų | 63 | 43% | 0.43 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -76 | -41.5 | 179.9 | -176.2 | 177.1 | 177.6 | -166.3 | 0 | 113.9 | F44 R83 K84 F85 | F44-K87 WeakPolarHBondContact CZ-O 3.44Å; R83-K87 WeakPolarHBondContact O-CB 3.4Å; R83-K87 PolarHBondContact O-N 3.14Å; K84-K87 PolarHBondContact O-N 3.48Å; F85-K87 VanDerWaalsContact C-N 3.27Å; F85-K87 PolarHBondContact O-N 2.95Å |
| 88 | Y | 96.8 | Very high | 91.7 | Very high | 16 Ų | 16 | 55.5 Ų | 55.5 | 6% | 0.063 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -115.6 | -27 | -166 | -60.1 | -68.7 | 0 | 0 | 0 | 115 | E40 F44 K84 F85 L92 V167 Y170 | E40-Y88 PolarHBondContact OE2-OH 2.88Å; F44-Y88 HydrophobicContact CB-CD1 4.32Å; F44-Y88 AromaticContact CD2-CD1 3.92Å; F44-Y88 HydrophobicContact CD2-CD1 3.92Å; F44-Y88 WeakPolarHBondContact CE2-O 3.34Å; F44-Y88 HydrophobicContact CG-CD1 4.15Å; K84-Y88 HydrophobicContact CB-CD2 4.29Å; K84-Y88 HydrophobicContact CG-CE2 4.48Å; K84-Y88 WeakPolarHBondContact O-CB 3.33Å; K84-Y88 VanDerWaalsContact O-CD2 3.29Å; K84-Y88 WeakPolarHBondContact O-CD2 3.48Å; K84-Y88 PolarHBondContact O-N 2.97Å; F85-Y88 PolarHBondContact O-N 3.17Å; Y88-L92 VanDerWaalsContact O-CD1 3.23Å; Y88-L92 WeakPolarHBondContact O-CD1 3.4Å; Y88-L92 WeakPolarHBondContact O-CG 3.31Å; Y88-V167 HydrophobicContact CD1-CB 4.45Å; Y88-V167 HydrophobicContact CD1-CG1 3.58Å; Y88-V167 HydrophobicContact CD1-CG2 4.13Å; Y88-V167 HydrophobicContact CD2-CG2 4.5Å; Y88-V167 HydrophobicContact CE1-CB 4.24Å; Y88-V167 HydrophobicContact CE1-CG1 3.64Å; Y88-V167 HydrophobicContact CE1-CG2 3.53Å; Y88-V167 HydrophobicContact CE2-CG2 3.99Å; Y88-V167 HydrophobicContact CG-CG1 4.28Å; Y88-V167 VanDerWaalsContact CZ-CG2 3.45Å; Y88-Y170 AromaticContact CD2-CD2 3.75Å; Y88-Y170 HydrophobicContact CD2-CD2 3.75Å; Y88-Y170 HydrophobicContact CD2-CE2 4.43Å; Y88-Y170 HydrophobicContact CE2-CD2 4.27Å; Y88-Y170 HydrophobicContact CG-CD2 4.35Å |
| 89 | A | 96.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | -47.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112 | F85 L92 L93 F147 A174 | F85-A89 HydrophobicContact CD2-CB 3.61Å; F85-A89 HydrophobicContact CE2-CB 3.8Å; F85-A89 HydrophobicContact CG-CB 4.41Å; F85-A89 WeakPolarHBondContact O-CA 3.25Å; F85-A89 PolarHBondContact O-N 2.61Å; A89-L92 WeakPolarHBondContact O-CB 3.48Å; A89-L92 PolarHBondContact O-N 3.11Å; A89-L92 VanDerWaalsContact O-N 3.08Å; A89-L93 PolarHBondContact O-N 2.96Å; A89-F147 HydrophobicContact CB-CD2 3.96Å; A89-F147 HydrophobicContact CB-CE2 3.73Å; A89-A174 HydrophobicContact CB-CB 3.89Å |
| 90 | L | 97.5 | Very high | 94.8 | Very high | 22 Ų | 22 | 51.4 Ų | 51.4 | 12% | 0.115 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.2 | -44.2 | -177 | -175.3 | 61.2 | 0 | 0 | 0 | 113.5 | F85 E86 L92 L93 H94 V100 I102 | F85-L90 HydrophobicContact CD1-CB 4.36Å; F85-L90 HydrophobicContact CE1-CB 3.89Å; F85-L90 HydrophobicContact CE1-CD1 4.11Å; F85-L90 HydrophobicContact CE1-CD2 4.49Å; F85-L90 HydrophobicContact CE1-CG 4.39Å; F85-L90 HydrophobicContact CZ-CB 4.23Å; F85-L90 HydrophobicContact CZ-CD1 4.27Å; F85-L90 PolarHBondContact O-N 3.22Å; E86-L90 HydrophobicContact CG-CD2 4.28Å; L90-L92 VanDerWaalsContact C-N 3.27Å; L90-L92 PolarHBondContact O-N 3.12Å; L90-L93 PolarHBondContact O-N 3.04Å; L90-H94 PolarHBondContact O-CD2 3.3Å; L90-H94 VanDerWaalsContact O-CD2 3.29Å; L90-H94 PolarHBondContact O-N 3.48Å; L90-V100 HydrophobicContact CD1-CG1 3.93Å; L90-I102 HydrophobicContact CD1-CD1 4.18Å; L90-I102 HydrophobicContact CD2-CD1 4.23Å |
| 91 | P | 98.3 | Very high | 95.3 | Very high | 38 Ų | 38 | 47.4 Ų | 47.4 | 25% | 0.247 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.1 | -31.8 | 178.9 | -21.8 | 35.7 | 0 | 0 | 0 | 112.5 | F44 E86 H94 F95 | F44-P91 HydrophobicContact CZ-CB 4.05Å; F44-P91 HydrophobicContact CZ-CG 4.1Å; E86-P91 VanDerWaalsContact O-CD 3.26Å; E86-P91 WeakPolarHBondContact O-CD 3.49Å; P91-H94 PolarHBondContact O-N 3.24Å; P91-F95 HydrophobicContact CB-CE2 4.48Å; P91-F95 WeakPolarHBondContact O-CB 3.36Å; P91-F95 WeakPolarHBondContact O-CD2 3.48Å; P91-F95 WeakPolarHBondContact O-CG 3.5Å; P91-F95 PolarHBondContact O-N 2.7Å |
| 92 | L | 98.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.9 | -41.3 | 177.5 | -58.5 | -179.8 | 0 | 0 | 0 | 111.1 | F44 C48 A51 Y88 A89 L90 H94 F95 A96 C171 A174 I178 | F44-L92 HydrophobicContact CE2-CD2 4.09Å; F44-L92 HydrophobicContact CE2-CG 4.19Å; C48-L92 HydrophobicContact CB-CD2 4.24Å; A51-L92 HydrophobicContact CB-CB 4.14Å; A51-L92 HydrophobicContact CB-CD2 4.06Å; Y88-L92 VanDerWaalsContact O-CD1 3.23Å; Y88-L92 WeakPolarHBondContact O-CD1 3.4Å; Y88-L92 WeakPolarHBondContact O-CG 3.31Å; A89-L92 WeakPolarHBondContact O-CB 3.48Å; A89-L92 PolarHBondContact O-N 3.11Å; A89-L92 VanDerWaalsContact O-N 3.08Å; L90-L92 VanDerWaalsContact C-N 3.27Å; L90-L92 PolarHBondContact O-N 3.12Å; L92-H94 VanDerWaalsContact C-N 3.31Å; L92-H94 PolarHBondContact O-N 3.18Å; L92-F95 PolarHBondContact O-N 3.3Å; L92-A96 WeakPolarHBondContact O-CB 3.42Å; L92-A96 PolarHBondContact O-N 2.92Å; L92-C171 HydrophobicContact CD1-CB 3.85Å; L92-A174 HydrophobicContact CB-CB 4.32Å; L92-A174 HydrophobicContact CD1-CB 4.04Å; L92-I178 HydrophobicContact CB-CD1 3.91Å; L92-I178 WeakPolarHBondContact O-CD1 3.26Å |
| 93 | L | 98.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.1 | -41.2 | 176.8 | -59.5 | 175.6 | 0 | 0 | 0 | 111.2 | V70 F85 A89 L90 A96 L98 V100 Y125 V177 I178 | V70-L93 HydrophobicContact CG2-CD1 4.42Å; F85-L93 HydrophobicContact CZ-CD1 4.3Å; A89-L93 PolarHBondContact O-N 2.96Å; L90-L93 PolarHBondContact O-N 3.04Å; L93-A96 PolarHBondContact O-N 3.14Å; L93-L98 HydrophobicContact CB-CD1 4.46Å; L93-L98 HydrophobicContact CD2-CD1 3.87Å; L93-L98 PolarHBondContact O-N 3.45Å; L93-V100 HydrophobicContact CB-CG2 3.59Å; L93-V100 HydrophobicContact CD1-CG1 4.28Å; L93-V100 HydrophobicContact CD1-CG2 4.12Å; L93-V100 HydrophobicContact CG-CG2 4.48Å; L93-Y125 HydrophobicContact CD1-CD1 4Å; L93-Y125 HydrophobicContact CD1-CE1 4.14Å; L93-V177 HydrophobicContact CD2-CB 4.34Å; L93-V177 HydrophobicContact CD2-CG1 4.08Å; L93-I178 HydrophobicContact CD2-CD1 4.43Å; L93-I178 HydrophobicContact CD2-CG1 4.03Å |
| 94 | H | 97.9 | Very high | 95.2 | Very high | 105 Ų | 105 | 48.1 Ų | 48.1 | 49% | 0.486 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -67.6 | -41.9 | 174.9 | -69.4 | -52.3 | 0 | 0 | 0 | 112.8 | L90 P91 L92 A96 G97 | L90-H94 PolarHBondContact O-CD2 3.3Å; L90-H94 VanDerWaalsContact O-CD2 3.29Å; L90-H94 PolarHBondContact O-N 3.48Å; P91-H94 PolarHBondContact O-N 3.24Å; L92-H94 VanDerWaalsContact C-N 3.31Å; L92-H94 PolarHBondContact O-N 3.18Å; H94-A96 PolarHBondContact O-N 3.45Å; H94-G97 PolarHBondContact O-N 2.98Å |
| 95 | F | 97.7 | Very high | 94.4 | Very high | 103 Ų | 103 | 45.7 Ų | 45.7 | 45% | 0.452 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.3 | -30 | 175.3 | -80.6 | -50.7 | 0 | 0 | 0 | 113 | C48 A51 G55 P91 L92 G97 | C48-F95 HydrophobicContact CB-CD2 3.99Å; C48-F95 HydrophobicContact CB-CE2 3.88Å; A51-F95 HydrophobicContact CB-CB 3.94Å; A51-F95 CarbonylContact O-C 3.42Å; G55-F95 WeakPolarHBondContact CA-O 3.4Å; P91-F95 HydrophobicContact CB-CE2 4.48Å; P91-F95 WeakPolarHBondContact O-CB 3.36Å; P91-F95 WeakPolarHBondContact O-CD2 3.48Å; P91-F95 WeakPolarHBondContact O-CG 3.5Å; P91-F95 PolarHBondContact O-N 2.7Å; L92-F95 PolarHBondContact O-N 3.3Å; F95-G97 PolarHBondContact O-N 3.42Å |
| 96 | A | 97.4 | Very high | 93.3 | Very high | 9 Ų | 9 | 47.1 Ų | 47.1 | 7% | 0.074 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | 1.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | A51 L92 L93 H94 L98 I178 | A51-A96 VanDerWaalsContact O-CA 3.32Å; A51-A96 WeakPolarHBondContact O-CA 3.48Å; L92-A96 WeakPolarHBondContact O-CB 3.42Å; L92-A96 PolarHBondContact O-N 2.92Å; L93-A96 PolarHBondContact O-N 3.14Å; H94-A96 PolarHBondContact O-N 3.45Å; A96-L98 VanDerWaalsContact C-N 3.29Å; A96-L98 HydrophobicContact CB-CD1 4.31Å; A96-L98 HydrophobicContact CB-CG 4.12Å; A96-L98 PolarHBondContact O-N 2.92Å; A96-I178 HydrophobicContact CB-CB 4.23Å; A96-I178 HydrophobicContact CB-CD1 3.84Å; A96-I178 HydrophobicContact CB-CG1 3.66Å; A96-I178 HydrophobicContact CB-CG2 3.56Å |
| 97 | G | 96.6 | Very high | 91.7 | Very high | 41 Ų | 41 | 45.5 Ų | 45.5 | 42% | 0.423 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.8 | 21.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | H94 F95 | H94-G97 PolarHBondContact O-N 2.98Å; F95-G97 PolarHBondContact O-N 3.42Å |
| 98 | L | 96.7 | Very high | 89.9 | Confident | 14 Ų | 14 | 41 Ų | 41 | 7% | 0.073 | 23% | 0.226 | C | C | . | . | trans | -80.8 | 143.2 | 178.9 | -58.2 | 174.7 | 0 | 0 | 0 | 110.9 | R66 V68 L93 A96 V100 I178 | R66-L98 HydrophobicContact CB-CD2 3.85Å; V68-L98 HydrophobicContact CG2-CB 4.44Å; V68-L98 HydrophobicContact CG2-CD1 4.01Å; L93-L98 HydrophobicContact CB-CD1 4.46Å; L93-L98 HydrophobicContact CD2-CD1 3.87Å; L93-L98 PolarHBondContact O-N 3.45Å; A96-L98 VanDerWaalsContact C-N 3.29Å; A96-L98 HydrophobicContact CB-CD1 4.31Å; A96-L98 HydrophobicContact CB-CG 4.12Å; A96-L98 PolarHBondContact O-N 2.92Å; L98-V100 HydrophobicContact CB-CG2 4.31Å; L98-V100 PolarHBondContact O-N 2.91Å; L98-I178 HydrophobicContact CD1-CG1 3.91Å | ||
| 99 | K | 96.3 | Very high | 88.2 | Confident | 110 Ų | 110 | 48.4 Ų | 48.4 | 48% | 0.478 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 108.9 | 168.9 | -178.3 | 176.4 | 177.9 | 176.4 | 0 | 108.4 | R66 K67 V68 | R66-K99 PolarHBondContact O-N 3.43Å; K67-K99 CarbonylContact C-O 3.47Å; K67-K99 WeakPolarHBondContact CA-O 3.34Å; V68-K99 PolarHBondContact N-O 2.81Å |
| 100 | V | 96.7 | Very high | 86.6 | Confident | 21 Ų | 21 | 55 Ų | 55 | 13% | 0.127 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 115.1 | -176.1 | -173.9 | 0 | 0 | 0 | 0 | 110.1 | V68 V70 L90 L93 L98 I102 | V68-V100 WeakPolarHBondContact O-CA 3.41Å; V70-V100 HydrophobicContact CG2-CG1 3.62Å; L90-V100 HydrophobicContact CD1-CG1 3.93Å; L93-V100 HydrophobicContact CB-CG2 3.59Å; L93-V100 HydrophobicContact CD1-CG1 4.28Å; L93-V100 HydrophobicContact CD1-CG2 4.12Å; L93-V100 HydrophobicContact CG-CG2 4.48Å; L98-V100 HydrophobicContact CB-CG2 4.31Å; L98-V100 PolarHBondContact O-N 2.91Å; V100-I102 HydrophobicContact CG1-CG1 4.33Å |
| 101 | D | 93.9 | Very high | 85 | Confident | 39 Ų | 39 | 57 Ų | 57 | 21% | 0.209 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 125.9 | 174 | -66.1 | -21.1 | 0 | 0 | 0 | 108.5 | K67 V68 T69 V70 | K67-D101 WeakPolarHBondContact CE-OD2 3.45Å; K67-D101 IonicContact NZ-OD2 3.34Å; K67-D101 PolarHBondContact NZ-OD2 3Å; V68-D101 PolarHBondContact O-N 3.24Å; T69-D101 CarbonylContact C-O 3.56Å; T69-D101 VanDerWaalsContact CA-O 3.27Å; T69-D101 WeakPolarHBondContact CA-O 3.27Å; V70-D101 PolarHBondContact N-O 3.31Å |
| 102 | I | 92.1 | Very high | 83.8 | Confident | 86 Ų | 86 | 61.9 Ų | 61.9 | 44% | 0.441 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 126.4 | -177.7 | -63.2 | 156.4 | 0 | 0 | 0 | 108.2 | V70 V72 W82 L90 V100 | V70-I102 HydrophobicContact CB-CG1 4.07Å; V70-I102 HydrophobicContact CG2-CG1 4.45Å; V72-I102 HydrophobicContact CG2-CG2 3.91Å; W82-I102 HydrophobicContact CH2-CD1 3.98Å; W82-I102 HydrophobicContact CH2-CG1 4.42Å; W82-I102 HydrophobicContact CH2-CG2 3.79Å; W82-I102 HydrophobicContact CZ3-CG2 4.26Å; L90-I102 HydrophobicContact CD1-CD1 4.18Å; L90-I102 HydrophobicContact CD2-CD1 4.23Å; V100-I102 HydrophobicContact CG1-CG1 4.33Å |
| 103 | A | 87.4 | Confident | 82.6 | Confident | 19 Ų | 19 | 68.6 Ų | 68.6 | 16% | 0.157 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 141.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | V70 L71 V72 W118 | V70-A103 PolarHBondContact O-N 2.96Å; L71-A103 WeakPolarHBondContact CA-O 3.36Å; L71-A103 HydrophobicContact CD2-CB 4.36Å; V72-A103 PolarHBondContact N-O 3.48Å; A103-W118 HydrophobicContact CB-CZ2 3.47Å; A103-W118 VanDerWaalsContact CB-CZ2 3.47Å |
| 104 | E | 83.3 | Confident | 81.3 | Confident | 131 Ų | 131 | 69.7 Ų | 69.7 | 61% | 0.612 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 137.3 | 175.6 | -68.5 | -175 | 176.8 | 0 | 0 | 110.6 | A106 S107 A108 | E104-A106 VanDerWaalsContact C-N 3.31Å; E104-A106 PolarHBondContact O-N 3.44Å; E104-S107 PolarHBondContact O-OG 3.49Å; E104-S107 VanDerWaalsContact O-OG 3.09Å; E104-A108 WeakPolarHBondContact O-CB 3.36Å; E104-A108 PolarHBondContact O-N 3.26Å |
| 105 | L | 75.4 | Confident | 80.1 | Confident | 11 Ų | 11 | 67.5 Ų | 67.5 | 6% | 0.058 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.3 | -43.9 | 180 | -156.9 | 66.3 | 0 | 0 | 0 | 108.5 | L71 V72 S107 A108 E132 R136 | L71-L105 HydrophobicContact CB-CD1 3.88Å; L71-L105 HydrophobicContact CD1-CD1 3.84Å; V72-L105 WeakPolarHBondContact O-CB 3.35Å; V72-L105 PolarHBondContact O-N 3.21Å; L105-S107 PolarHBondContact O-N 3.45Å; L105-A108 PolarHBondContact O-N 3.48Å; L105-E132 HydrophobicContact CD2-CB 3.73Å; L105-E132 HydrophobicContact CD2-CG 4.3Å; L105-R136 VanDerWaalsContact C-NH2 3.31Å; L105-R136 VanDerWaalsContact CD1-NH1 3.25Å; L105-R136 PolarHBondContact O-NH1 3.36Å; L105-R136 PolarHBondContact O-NH2 3.43Å |
| 106 | A | 70.5 | Confident | 79.2 | Confident | 29 Ų | 29 | 68.7 Ų | 68.7 | 24% | 0.24 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -53.1 | -53.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | D74 E104 A108 | D74-A106 HydrophobicContact CB-CB 3.67Å; D74-A106 WeakPolarHBondContact OD1-CB 3.48Å; E104-A106 VanDerWaalsContact C-N 3.31Å; E104-A106 PolarHBondContact O-N 3.44Å; A106-A108 VanDerWaalsContact C-N 3.34Å; A106-A108 PolarHBondContact O-N 3.03Å |
| 107 | S | 61.8 | Low | 78.1 | Confident | 62 Ų | 62 | 72.2 Ų | 72.2 | 43% | 0.434 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.3 | -39.2 | -177.2 | 51.7 | 0 | 0 | 0 | 0 | 111.8 | E104 L105 Y109 N110 | E104-S107 PolarHBondContact O-OG 3.49Å; E104-S107 VanDerWaalsContact O-OG 3.09Å; L105-S107 PolarHBondContact O-N 3.45Å; S107-Y109 VanDerWaalsContact C-N 3.27Å; S107-Y109 PolarHBondContact O-N 2.92Å; S107-Y109 VanDerWaalsContact O-N 3.15Å; S107-N110 PolarHBondContact O-N 2.89Å |
| 108 | A | 57.3 | Low | 77.3 | Confident | 6 Ų | 6 | 71.4 Ų | 71.4 | 5% | 0.05 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -71.1 | -12 | -171.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | E104 L105 A106 V114 W118 | E104-A108 WeakPolarHBondContact O-CB 3.36Å; E104-A108 PolarHBondContact O-N 3.26Å; L105-A108 PolarHBondContact O-N 3.48Å; A106-A108 VanDerWaalsContact C-N 3.34Å; A106-A108 PolarHBondContact O-N 3.03Å; A108-V114 HydrophobicContact CB-CB 4.03Å; A108-V114 HydrophobicContact CB-CG1 3.32Å; A108-W118 HydrophobicContact CB-CE3 4.41Å; A108-W118 HydrophobicContact CB-CH2 2.82Å; A108-W118 HydrophobicContact CB-CZ2 3.12Å; A108-W118 HydrophobicContact CB-CZ3 3.5Å |
| 109 | Y | 61.3 | Low | 76.6 | Confident | 171 Ų | 171 | 76.7 Ų | 76.7 | 67% | 0.671 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -32.5 | 179 | -177.7 | -105.9 | 0 | 0 | 0 | 112.5 | S107 | S107-Y109 VanDerWaalsContact C-N 3.27Å; S107-Y109 PolarHBondContact O-N 2.92Å; S107-Y109 VanDerWaalsContact O-N 3.15Å |
| 110 | N | 64 | Low | 76.1 | Confident | 138 Ų | 138 | 75.9 Ų | 75.9 | 74% | 0.738 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | -9.9 | -175.5 | -62.3 | -37.9 | 0 | 0 | 0 | 112.1 | S107 | S107-N110 PolarHBondContact O-N 2.89Š|
| 111 | D | 64.8 | Low | 75.8 | Confident | 63 Ų | 63 | 75.1 Ų | 75.1 | 34% | 0.337 | 38% | 0.375 | S | S | . | . | trans | -107.8 | 106.7 | -172.8 | -161.2 | -21.1 | 0 | 0 | 0 | 110.6 | E113 V114 E115 | D111-E113 PolarHBondContact O-N 3.41Å; D111-E113 VanDerWaalsContact OD1-CB 3.25Å; D111-E113 WeakPolarHBondContact OD1-CB 3.47Å; D111-E113 WeakPolarHBondContact OD1-CG 3.41Å; D111-E113 PolarHBondContact OD1-N 2.89Å; D111-V114 HydrophobicContact CB-CB 4.12Å; D111-V114 HydrophobicContact CB-CG2 3.71Å; D111-V114 PolarHBondContact O-N 3.45Å; D111-E115 PolarHBondContact O-N 3.48Å; D111-E115 VanDerWaalsContact O-N 3.14Å | ||
| 112 | E | 72.9 | Confident | 75.6 | Confident | 142 Ų | 142 | 77 Ų | 77 | 66% | 0.664 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -60.2 | -26 | 175.4 | -65.5 | -168.9 | 169.8 | 0 | 0 | 112.1 | E115 K116 | E112-E115 PolarHBondContact O-N 3.13Å; E112-K116 VanDerWaalsContact O-CG 3.31Å; E112-K116 WeakPolarHBondContact O-CG 3.33Å; E112-K116 PolarHBondContact O-N 3.26Å |
| 113 | E | 71.9 | Confident | 75.6 | Confident | 141 Ų | 141 | 73.4 Ų | 73.4 | 66% | 0.659 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -68.3 | -41.9 | 177.6 | -58.2 | -170.7 | 165.7 | 0 | 0 | 110.8 | D111 K116 E117 | D111-E113 PolarHBondContact O-N 3.41Å; D111-E113 VanDerWaalsContact OD1-CB 3.25Å; D111-E113 WeakPolarHBondContact OD1-CB 3.47Å; D111-E113 WeakPolarHBondContact OD1-CG 3.41Å; D111-E113 PolarHBondContact OD1-N 2.89Å; E113-K116 WeakPolarHBondContact O-CB 3.3Å; E113-K116 PolarHBondContact O-N 3.32Å; E113-E117 PolarHBondContact O-N 3.44Å |
| 114 | V | 70.7 | Confident | 75.8 | Confident | 22 Ų | 22 | 73.2 Ų | 73.2 | 13% | 0.133 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -69 | -36.3 | 176.8 | -174.4 | 0 | 0 | 0 | 0 | 111 | A108 D111 K116 E117 W118 | A108-V114 HydrophobicContact CB-CB 4.03Å; A108-V114 HydrophobicContact CB-CG1 3.32Å; D111-V114 HydrophobicContact CB-CB 4.12Å; D111-V114 HydrophobicContact CB-CG2 3.71Å; D111-V114 PolarHBondContact O-N 3.45Å; V114-K116 VanDerWaalsContact C-N 3.32Å; V114-K116 PolarHBondContact O-N 2.97Å; V114-E117 PolarHBondContact O-N 3.46Å; V114-W118 HydrophobicContact CG1-CD2 3.93Å; V114-W118 HydrophobicContact CG1-CH2 4.12Å; V114-W118 HydrophobicContact CG1-CZ2 3.28Å; V114-W118 VanDerWaalsContact CG1-NE1 3.31Å; V114-W118 VanDerWaalsContact O-CG 3.28Å; V114-W118 PolarHBondContact O-N 3.49Å; V114-W118 VanDerWaalsContact O-N 3.1Å |
| 115 | E | 73.2 | Confident | 76.2 | Confident | 60 Ų | 60 | 67 Ų | 67 | 28% | 0.28 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.5 | -38.4 | 171.6 | -169.3 | -179 | 145.1 | 0 | 0 | 111.6 | D111 E112 K119 K139 | D111-E115 PolarHBondContact O-N 3.48Å; D111-E115 VanDerWaalsContact O-N 3.14Å; E112-E115 PolarHBondContact O-N 3.13Å; E115-K119 WeakPolarHBondContact O-CD 3.37Å; E115-K119 VanDerWaalsContact O-CG 3.26Å; E115-K119 WeakPolarHBondContact O-CG 3.44Å; E115-K119 PolarHBondContact O-N 3.35Å; E115-K119 VanDerWaalsContact OE1-CE 3.29Å; E115-K119 WeakPolarHBondContact OE1-CE 3.47Å; E115-K119 IonicContact OE1-NZ 3.85Å; E115-K119 PolarHBondContact OE1-NZ 2.96Å; E115-K139 VanDerWaalsContact CD-NZ 3.29Å; E115-K139 WeakPolarHBondContact OE1-CD 3.45Å; E115-K139 IonicContact OE1-NZ 2.74Å; E115-K139 PolarHBondContact OE1-NZ 3.3Å; E115-K139 IonicContact OE2-NZ 2.76Å; E115-K139 PolarHBondContact OE2-NZ 3.37Å |
| 116 | K | 78 | Confident | 76.8 | Confident | 128 Ų | 128 | 67 Ų | 67 | 56% | 0.557 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -66 | -42.4 | 174.6 | -73.1 | 168 | -171.9 | 167.8 | 0 | 111.3 | E112 E113 V114 W118 K119 T120 | E112-K116 VanDerWaalsContact O-CG 3.31Å; E112-K116 WeakPolarHBondContact O-CG 3.33Å; E112-K116 PolarHBondContact O-N 3.26Å; E113-K116 WeakPolarHBondContact O-CB 3.3Å; E113-K116 PolarHBondContact O-N 3.32Å; V114-K116 VanDerWaalsContact C-N 3.32Å; V114-K116 PolarHBondContact O-N 2.97Å; K116-W118 PolarHBondContact O-N 2.66Å; K116-K119 PolarHBondContact O-N 2.86Å; K116-T120 PolarHBondContact O-N 2.98Å |
| 117 | E | 76.3 | Confident | 77.7 | Confident | 83 Ų | 83 | 65.8 Ų | 65.8 | 39% | 0.388 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.2 | -44.9 | -179 | -176.1 | 170.6 | -164.4 | 0 | 0 | 111.9 | K67 E113 V114 K119 T120 S121 | K67-E117 IonicContact NZ-OE1 3.01Å; K67-E117 PolarHBondContact NZ-OE1 2.95Å; E113-E117 PolarHBondContact O-N 3.44Å; V114-E117 PolarHBondContact O-N 3.46Å; E117-K119 VanDerWaalsContact C-N 3.3Å; E117-K119 PolarHBondContact O-N 2.95Å; E117-T120 PolarHBondContact O-N 3.33Å; E117-T120 VanDerWaalsContact O-N 3.08Å; E117-T120 PolarHBondContact O-OG1 3.24Å; E117-S121 PolarHBondContact O-OG 2.93Å |
| 118 | W | 79.3 | Confident | 78.5 | Confident | 24 Ų | 24 | 63.1 Ų | 63.1 | 9% | 0.091 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -74.1 | -25.1 | -176.9 | -54.5 | -11.6 | 0 | 0 | 0 | 112.8 | T69 L71 A103 A108 V114 K116 T120 S121 L124 | T69-W118 HydrophobicContact CG2-CD2 4.35Å; T69-W118 HydrophobicContact CG2-CG 3.84Å; L71-W118 HydrophobicContact CB-CH2 4.47Å; L71-W118 HydrophobicContact CD1-CD2 4.26Å; L71-W118 HydrophobicContact CD1-CE3 3.6Å; L71-W118 HydrophobicContact CD1-CH2 3.38Å; L71-W118 HydrophobicContact CD1-CZ2 4.19Å; L71-W118 HydrophobicContact CD1-CZ3 3.13Å; L71-W118 HydrophobicContact CD2-CD2 3.61Å; L71-W118 HydrophobicContact CD2-CE3 3.84Å; L71-W118 HydrophobicContact CD2-CG 4.33Å; L71-W118 HydrophobicContact CD2-CH2 3.24Å; L71-W118 HydrophobicContact CD2-CZ2 3.12Å; L71-W118 HydrophobicContact CD2-CZ3 3.69Å; L71-W118 HydrophobicContact CG-CE3 4.35Å; L71-W118 HydrophobicContact CG-CH2 3.86Å; L71-W118 HydrophobicContact CG-CZ2 4.22Å; L71-W118 HydrophobicContact CG-CZ3 4.03Å; A103-W118 HydrophobicContact CB-CZ2 3.47Å; A103-W118 VanDerWaalsContact CB-CZ2 3.47Å; A108-W118 HydrophobicContact CB-CE3 4.41Å; A108-W118 HydrophobicContact CB-CH2 2.82Å; A108-W118 HydrophobicContact CB-CZ2 3.12Å; A108-W118 HydrophobicContact CB-CZ3 3.5Å; V114-W118 HydrophobicContact CG1-CD2 3.93Å; V114-W118 HydrophobicContact CG1-CH2 4.12Å; V114-W118 HydrophobicContact CG1-CZ2 3.28Å; V114-W118 VanDerWaalsContact CG1-NE1 3.31Å; V114-W118 VanDerWaalsContact O-CG 3.28Å; V114-W118 PolarHBondContact O-N 3.49Å; V114-W118 VanDerWaalsContact O-N 3.1Å; K116-W118 PolarHBondContact O-N 2.66Å; W118-T120 PolarHBondContact O-N 3.42Å; W118-S121 WeakPolarHBondContact O-CB 3.5Å; W118-S121 PolarHBondContact O-N 3.3Å; W118-S121 VanDerWaalsContact O-N 3.09Å; W118-S121 PolarHBondContact O-OG 2.91Å; W118-L124 HydrophobicContact CB-CD1 4.19Å; W118-L124 HydrophobicContact CD2-CD1 4.49Å; W118-L124 HydrophobicContact CG-CD1 4.37Å |
| 119 | K | 81 | Confident | 79.3 | Confident | 124 Ų | 124 | 65.1 Ų | 65.1 | 54% | 0.539 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.8 | -25.1 | 169.4 | -77 | 171 | -177.2 | 165.9 | 0 | 112.9 | E115 K116 E117 S121 | E115-K119 WeakPolarHBondContact O-CD 3.37Å; E115-K119 VanDerWaalsContact O-CG 3.26Å; E115-K119 WeakPolarHBondContact O-CG 3.44Å; E115-K119 PolarHBondContact O-N 3.35Å; E115-K119 VanDerWaalsContact OE1-CE 3.29Å; E115-K119 WeakPolarHBondContact OE1-CE 3.47Å; E115-K119 IonicContact OE1-NZ 3.85Å; E115-K119 PolarHBondContact OE1-NZ 2.96Å; K116-K119 PolarHBondContact O-N 2.86Å; E117-K119 VanDerWaalsContact C-N 3.3Å; E117-K119 PolarHBondContact O-N 2.95Å; K119-S121 VanDerWaalsContact C-N 3.29Å |
| 120 | T | 86.7 | Confident | 79.9 | Confident | 94 Ų | 94 | 57.6 Ų | 57.6 | 58% | 0.577 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -5.6 | 174.9 | 69.2 | 0 | 0 | 0 | 0 | 113.7 | K116 E117 W118 | K116-T120 PolarHBondContact O-N 2.98Å; E117-T120 PolarHBondContact O-N 3.33Å; E117-T120 VanDerWaalsContact O-N 3.08Å; E117-T120 PolarHBondContact O-OG1 3.24Å; W118-T120 PolarHBondContact O-N 3.42Å |
| 121 | S | 89.7 | Confident | 80 | Confident | 5 Ų | 5 | 51.3 Ų | 51.3 | 4% | 0.035 | 25% | 0.254 | C | S | . | . | trans | -87.5 | 141.1 | -175.9 | -51.4 | 0 | 0 | 0 | 0 | 111 | K67 T69 E117 W118 K119 P142 | K67-S121 WeakPolarHBondContact CE-OG 3.41Å; T69-S121 WeakPolarHBondContact CB-OG 3.41Å; T69-S121 WeakPolarHBondContact OG1-CB 3.43Å; T69-S121 PolarHBondContact OG1-OG 3Å; E117-S121 PolarHBondContact O-OG 2.93Å; W118-S121 WeakPolarHBondContact O-CB 3.5Å; W118-S121 PolarHBondContact O-N 3.3Å; W118-S121 VanDerWaalsContact O-N 3.09Å; W118-S121 PolarHBondContact O-OG 2.91Å; K119-S121 VanDerWaalsContact C-N 3.29Å; S121-P142 WeakPolarHBondContact O-CB 3.41Å; S121-P142 WeakPolarHBondContact O-CG 3.13Å | ||
| 122 | D | 91.1 | Very high | 80.1 | Confident | 79 Ų | 79 | 48.7 Ų | 48.7 | 42% | 0.422 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -72.1 | -36.3 | 178.2 | -58.8 | -57.5 | 0 | 0 | 0 | 111.5 | R66 K67 K143 | R66-D122 VanDerWaalsContact CA-OD2 3.26Å; R66-D122 WeakPolarHBondContact CA-OD2 3.42Å; K67-D122 PolarHBondContact N-OD2 3.44Å; K67-D122 PolarHBondContact O-N 2.64Å; D122-K143 PolarHBondContact O-N 3.49Å |
| 123 | T | 91.6 | Very high | 79.8 | Confident | 10 Ų | 10 | 42.2 Ų | 42.2 | 6% | 0.061 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 134.7 | 179.1 | -52.3 | 0 | 0 | 0 | 0 | 110.9 | K67 V68 T69 K143 A145 V177 | K67-T123 PolarHBondContact O-N 2.92Å; V68-T123 WeakPolarHBondContact CA-O 3.29Å; T69-T123 PolarHBondContact N-O 3.46Å; T123-K143 CarbonylContact C-O 3.57Å; T123-K143 VanDerWaalsContact CA-O 3.31Å; T123-K143 WeakPolarHBondContact CA-O 3.39Å; T123-K143 HydrophobicContact CG2-CB 4.34Å; T123-K143 WeakPolarHBondContact CG2-O 3.39Å; T123-A145 HydrophobicContact CG2-CB 4.02Å; T123-V177 HydrophobicContact CG2-CG1 4.14Å |
| 124 | L | 90.3 | Very high | 79.5 | Confident | 15 Ų | 15 | 36.8 Ų | 36.8 | 8% | 0.079 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 117.9 | 169.9 | -164 | 68.3 | 0 | 0 | 0 | 109 | T69 L71 W118 L126 I141 P142 K143 L144 A145 | T69-L124 HydrophobicContact CG2-CD1 4.22Å; T69-L124 CarbonylContact O-C 3.55Å; T69-L124 WeakPolarHBondContact O-CA 3.36Å; L71-L124 HydrophobicContact CD1-CD1 3.69Å; L71-L124 HydrophobicContact CD1-CD2 3.73Å; L71-L124 HydrophobicContact CD1-CG 3.87Å; L71-L124 HydrophobicContact CD2-CD1 3.71Å; L71-L124 HydrophobicContact CG-CD1 3.51Å; L71-L124 HydrophobicContact CG-CD2 4.33Å; L71-L124 HydrophobicContact CG-CG 3.9Å; W118-L124 HydrophobicContact CB-CD1 4.19Å; W118-L124 HydrophobicContact CD2-CD1 4.49Å; W118-L124 HydrophobicContact CG-CD1 4.37Å; L124-L126 HydrophobicContact CD2-CD2 3.98Å; L124-L126 HydrophobicContact CG-CD2 3.99Å; L124-I141 HydrophobicContact CB-CG2 4.49Å; L124-I141 HydrophobicContact CD2-CG2 3.98Å; L124-P142 HydrophobicContact CB-CG 4.41Å; L124-K143 PolarHBondContact N-O 3.48Å; L124-L144 HydrophobicContact CB-CD1 3.97Å; L124-L144 HydrophobicContact CD2-CD1 3.87Å; L124-L144 HydrophobicContact CG-CD1 4.21Å; L124-A145 PolarHBondContact O-N 2.79Å |
| 125 | Y | 92.2 | Very high | 79.2 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 102.9 | -177.9 | -166.7 | -168.3 | 0 | 0 | 0 | 110.9 | T69 V70 L71 F85 L93 V127 A145 F147 S173 A174 V177 | T69-Y125 PolarHBondContact O-N 3.15Å; V70-Y125 CarbonylContact C-O 3.58Å; V70-Y125 VanDerWaalsContact CA-O 3.28Å; V70-Y125 WeakPolarHBondContact CA-O 3.29Å; V70-Y125 HydrophobicContact CG2-CD1 4.36Å; L71-Y125 PolarHBondContact N-O 3.28Å; F85-Y125 HydrophobicContact CD2-CE1 4.46Å; F85-Y125 AromaticContact CE2-CD1 3.93Å; F85-Y125 HydrophobicContact CE2-CD1 3.93Å; F85-Y125 AromaticContact CE2-CE1 3.66Å; F85-Y125 HydrophobicContact CE2-CE1 3.66Å; L93-Y125 HydrophobicContact CD1-CD1 4Å; L93-Y125 HydrophobicContact CD1-CE1 4.14Å; Y125-V127 PolarHBondContact O-N 3.49Å; Y125-A145 HydrophobicContact CD2-CB 3.49Å; Y125-A145 VanDerWaalsContact CD2-CB 3.49Å; Y125-A145 HydrophobicContact CE2-CB 4.06Å; Y125-A145 HydrophobicContact CG-CB 4.12Å; Y125-F147 HydrophobicContact CE2-CB 3.92Å; Y125-S173 PolarHBondContact OH-OG 3.39Å; Y125-A174 PolarHBondContact OH-N 3.44Å; Y125-V177 HydrophobicContact CD1-CG2 4.26Å; Y125-V177 HydrophobicContact CD2-CG2 4.19Å; Y125-V177 HydrophobicContact CE1-CG2 4.26Å; Y125-V177 HydrophobicContact CE2-CG2 4.13Å; Y125-V177 HydrophobicContact CG-CG2 4.23Å |
| 126 | L | 88.7 | Confident | 78.6 | Confident | 12 Ų | 12 | 40 Ų | 40 | 6% | 0.063 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 120.1 | -176.7 | -57.2 | -171.1 | 0 | 0 | 0 | 111 | L71 L124 I133 L144 A145 F146 F147 | L71-L126 HydrophobicContact CB-CD2 3.58Å; L71-L126 HydrophobicContact CD1-CD2 3.5Å; L71-L126 HydrophobicContact CG-CD2 3.65Å; L124-L126 HydrophobicContact CD2-CD2 3.98Å; L124-L126 HydrophobicContact CG-CD2 3.99Å; L126-I133 HydrophobicContact CB-CG1 4.3Å; L126-I133 HydrophobicContact CD1-CB 4.19Å; L126-I133 HydrophobicContact CD1-CG1 3.75Å; L126-I133 HydrophobicContact CD1-CG2 4.22Å; L126-L144 HydrophobicContact CD1-CD1 3.65Å; L126-L144 HydrophobicContact CD1-CD2 4.44Å; L126-L144 HydrophobicContact CD1-CG 4.38Å; L126-L144 HydrophobicContact CD2-CD1 4.26Å; L126-L144 HydrophobicContact CG-CD1 3.66Å; L126-A145 PolarHBondContact N-O 2.62Å; L126-F146 HydrophobicContact CB-CD1 4.13Å; L126-F146 HydrophobicContact CD1-CD1 4.31Å; L126-F146 HydrophobicContact CD1-CE1 3.88Å; L126-F146 HydrophobicContact CG-CE1 4.49Å; L126-F147 PolarHBondContact O-N 2.7Å |
| 127 | V | 89.2 | Confident | 77.7 | Confident | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.012 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 100.8 | 169 | -178 | 0 | 0 | 0 | 0 | 106.4 | V70 L71 G73 F76 T81 F85 Y125 F147 | V70-V127 HydrophobicContact CG1-CG2 3.63Å; L71-V127 PolarHBondContact O-N 2.87Å; G73-V127 PolarHBondContact N-O 3.28Å; F76-V127 WeakPolarHBondContact CE2-O 3.3Å; T81-V127 HydrophobicContact CG2-CG1 4.06Å; F85-V127 HydrophobicContact CB-CG1 4.14Å; F85-V127 HydrophobicContact CB-CG2 4.41Å; F85-V127 HydrophobicContact CD1-CG2 4.26Å; F85-V127 HydrophobicContact CD2-CG2 3.46Å; F85-V127 VanDerWaalsContact CD2-CG2 3.46Å; F85-V127 HydrophobicContact CE1-CG2 4.48Å; F85-V127 HydrophobicContact CE2-CG2 3.72Å; F85-V127 HydrophobicContact CG-CG1 4.33Å; F85-V127 HydrophobicContact CG-CG2 3.76Å; F85-V127 HydrophobicContact CZ-CG2 4.24Å; Y125-V127 PolarHBondContact O-N 3.49Å; V127-F147 HydrophobicContact CB-CB 4.42Å; V127-F147 HydrophobicContact CG1-CD1 4.04Å; V127-F147 HydrophobicContact CG2-CB 3.91Å; V127-F147 HydrophobicContact CG2-CG 4.43Å |
| 128 | G | 79 | Confident | 76.6 | Confident | 7 Ų | 7 | 33.4 Ų | 33.4 | 7% | 0.072 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -177.4 | 174.4 | -168.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | E132 | G128-E132 VanDerWaalsContact CA-OE2 3.25Å; G128-E132 WeakPolarHBondContact CA-OE2 3.23Å |
| 129 | N | 73.4 | Confident | 75.6 | Confident | 47 Ų | 47 | 38.3 Ų | 38.3 | 25% | 0.251 | 20% | 0.201 | S | C | . | . | trans | -86.5 | 160 | 165.9 | -66 | -43.3 | 0 | 0 | 0 | 110.2 | S131 E132 I133 | N129-S131 PolarHBondContact O-N 3.43Å; N129-E132 PolarHBondContact N-OE2 3Å; N129-E132 PolarHBondContact O-N 3.15Å; N129-I133 PolarHBondContact O-N 3.29Å | ||
| 130 | D | 73.5 | Confident | 74.6 | Confident | 13 Ų | 13 | 41.5 Ų | 41.5 | 7% | 0.07 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -47.1 | -30.8 | 175.6 | -77.7 | 16.9 | 0 | 0 | 0 | 114.1 | E132 I133 S134 D152 G153 H154 V155 S202 | D130-E132 VanDerWaalsContact C-N 3.35Å; D130-E132 PolarHBondContact O-N 3.49Å; D130-I133 WeakPolarHBondContact O-CB 3.2Å; D130-I133 PolarHBondContact O-N 3.3Å; D130-S134 PolarHBondContact O-N 3.32Å; D130-S134 VanDerWaalsContact O-N 3.15Å; D130-D152 VanDerWaalsContact CG-O 3.24Å; D130-G153 WeakPolarHBondContact OD1-CA 3.33Å; D130-H154 WeakPolarHBondContact OD2-CA 3.19Å; D130-H154 VanDerWaalsContact OD2-CB 3.31Å; D130-H154 WeakPolarHBondContact OD2-CB 3.48Å; D130-H154 PolarHBondContact OD2-N 3.29Å; D130-V155 PolarHBondContact OD2-N 2.88Å; D130-V155 VanDerWaalsContact OD2-N 3.09Å; D130-S202 WeakPolarHBondContact OD2-CB 3.22Å; D130-S202 PolarHBondContact OD2-OG 2.9Å |
| 131 | S | 67.3 | Low | 73.5 | Confident | 6 Ų | 6 | 39.4 Ų | 39.4 | 4% | 0.042 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -69.2 | -27.9 | 179.1 | 76.2 | 0 | 0 | 0 | 0 | 115.3 | N129 S134 | N129-S131 PolarHBondContact O-N 3.43Å; S131-S134 PolarHBondContact O-OG 2.97Å |
| 132 | E | 67.3 | Low | 72.5 | Confident | 9 Ų | 9 | 40.9 Ų | 40.9 | 4% | 0.042 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -85.7 | -34.8 | 178.7 | -67.5 | -179 | 140.7 | 0 | 0 | 110 | G73 Q75 L105 G128 N129 D130 K135 | G73-E132 VanDerWaalsContact CA-OE1 3.27Å; G73-E132 WeakPolarHBondContact CA-OE1 3.42Å; G73-E132 WeakPolarHBondContact CA-OE2 3.14Å; Q75-E132 PolarHBondContact N-OE1 3.39Å; L105-E132 HydrophobicContact CD2-CB 3.73Å; L105-E132 HydrophobicContact CD2-CG 4.3Å; G128-E132 VanDerWaalsContact CA-OE2 3.25Å; G128-E132 WeakPolarHBondContact CA-OE2 3.23Å; N129-E132 PolarHBondContact N-OE2 3Å; N129-E132 PolarHBondContact O-N 3.15Å; D130-E132 VanDerWaalsContact C-N 3.35Å; D130-E132 PolarHBondContact O-N 3.49Å; E132-K135 PolarHBondContact O-N 3.09Å |
| 133 | I | 66.4 | Low | 72.3 | Confident | 6 Ų | 6 | 41.2 Ų | 41.2 | 3% | 0.031 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.1 | -53.9 | 174.3 | -68.4 | 162.2 | 0 | 0 | 0 | 110.5 | L126 N129 D130 K135 R136 V137 F146 I201 | L126-I133 HydrophobicContact CB-CG1 4.3Å; L126-I133 HydrophobicContact CD1-CB 4.19Å; L126-I133 HydrophobicContact CD1-CG1 3.75Å; L126-I133 HydrophobicContact CD1-CG2 4.22Å; N129-I133 PolarHBondContact O-N 3.29Å; D130-I133 WeakPolarHBondContact O-CB 3.2Å; D130-I133 PolarHBondContact O-N 3.3Å; I133-K135 PolarHBondContact O-N 3.2Å; I133-K135 VanDerWaalsContact O-N 3.11Å; I133-R136 PolarHBondContact O-N 2.76Å; I133-V137 HydrophobicContact CG2-CG2 4.35Å; I133-V137 WeakPolarHBondContact O-CG2 3.4Å; I133-F146 HydrophobicContact CB-CE1 4.16Å; I133-F146 HydrophobicContact CD1-CD1 3.31Å; I133-F146 HydrophobicContact CD1-CE1 3.6Å; I133-F146 HydrophobicContact CD1-CG 4.37Å; I133-F146 HydrophobicContact CG1-CD1 3.79Å; I133-F146 HydrophobicContact CG1-CE1 3.7Å; I133-F146 HydrophobicContact CG2-CD1 4.32Å; I133-F146 HydrophobicContact CG2-CE1 3.41Å; I133-F146 VanDerWaalsContact CG2-CE1 3.41Å; I133-F146 HydrophobicContact CG2-CZ 4.08Å; I133-I201 HydrophobicContact CG2-CD1 3.92Å |
| 134 | S | 65 | Low | 72.1 | Confident | 26 Ų | 26 | 41.1 Ų | 41.1 | 18% | 0.182 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -22.9 | -173.8 | 62.4 | 0 | 0 | 0 | 0 | 114.4 | D130 S131 R136 | D130-S134 PolarHBondContact O-N 3.32Å; D130-S134 VanDerWaalsContact O-N 3.15Å; S131-S134 PolarHBondContact O-OG 2.97Å; S134-R136 PolarHBondContact O-N 3.49Å |
| 135 | K | 63.5 | Low | 72.1 | Confident | 90 Ų | 90 | 40.5 Ų | 40.5 | 39% | 0.391 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -23.5 | -179.9 | -69.3 | 175.1 | -173.5 | 168.8 | 0 | 113.1 | E132 I133 | E132-K135 PolarHBondContact O-N 3.09Å; I133-K135 PolarHBondContact O-N 3.2Å; I133-K135 VanDerWaalsContact O-N 3.11Å |
| 136 | R | 60.8 | Low | 71.9 | Confident | 60 Ų | 60 | 41.2 Ų | 41.2 | 23% | 0.226 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.9 | 0.9 | -160.9 | -57.3 | -153.3 | -179.1 | -167.5 | -7.7 | 115.4 | L105 I133 S134 A138 I141 | L105-R136 VanDerWaalsContact C-NH2 3.31Å; L105-R136 VanDerWaalsContact CD1-NH1 3.25Å; L105-R136 PolarHBondContact O-NH1 3.36Å; L105-R136 PolarHBondContact O-NH2 3.43Å; I133-R136 PolarHBondContact O-N 2.76Å; S134-R136 PolarHBondContact O-N 3.49Å; R136-A138 PolarHBondContact O-N 2.84Å; R136-I141 WeakPolarHBondContact O-CD1 3.49Å |
| 137 | V | 59.9 | Low | 72 | Confident | 11 Ų | 11 | 40.8 Ų | 40.8 | 7% | 0.067 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | 2.6 | -175.9 | -178.4 | 0 | 0 | 0 | 0 | 112.6 | I133 K139 I141 L144 A187 L199 I201 | I133-V137 HydrophobicContact CG2-CG2 4.35Å; I133-V137 WeakPolarHBondContact O-CG2 3.4Å; V137-K139 PolarHBondContact O-N 2.86Å; V137-I141 HydrophobicContact CB-CD1 4.27Å; V137-I141 HydrophobicContact CG1-CD1 4.31Å; V137-I141 HydrophobicContact CG2-CD1 4.5Å; V137-L144 HydrophobicContact CG2-CD2 4.16Å; V137-A187 HydrophobicContact CG1-CB 4.39Å; V137-L199 HydrophobicContact CB-CB 4.17Å; V137-L199 HydrophobicContact CG1-CB 4.16Å; V137-L199 VanDerWaalsContact O-CD1 3.27Å; V137-L199 WeakPolarHBondContact O-CD1 3.39Å; V137-I201 HydrophobicContact CB-CD1 4.21Å; V137-I201 HydrophobicContact CB-CG1 4.25Å; V137-I201 HydrophobicContact CG1-CD1 3.85Å; V137-I201 HydrophobicContact CG1-CG1 3.83Å; V137-I201 HydrophobicContact CG2-CD1 3.31Å; V137-I201 HydrophobicContact CG2-CG1 3.73Å |
| 138 | A | 52.6 | Low | 71.8 | Confident | 62 Ų | 62 | 40.8 Ų | 40.8 | 51% | 0.512 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -11.7 | -161 | 0 | 0 | 0 | 0 | 0 | 117.2 | R136 | R136-A138 PolarHBondContact O-N 2.84Š|
| 139 | K | 58.7 | Low | 71.6 | Confident | 126 Ų | 126 | 40.7 Ų | 40.7 | 55% | 0.548 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -139.2 | 138.4 | -170.7 | -65.1 | 178.6 | 177.7 | 178.5 | 0 | 110.3 | E115 V137 I141 | E115-K139 VanDerWaalsContact CD-NZ 3.29Å; E115-K139 WeakPolarHBondContact OE1-CD 3.45Å; E115-K139 IonicContact OE1-NZ 2.74Å; E115-K139 PolarHBondContact OE1-NZ 3.3Å; E115-K139 IonicContact OE2-NZ 2.76Å; E115-K139 PolarHBondContact OE2-NZ 3.37Å; V137-K139 PolarHBondContact O-N 2.86Å; K139-I141 WeakPolarHBondContact O-CG1 3.27Å; K139-I141 PolarHBondContact O-N 3.1Å |
| 140 | Q | 58.9 | Low | 71.3 | Confident | 191 Ų | 191 | 39.3 Ų | 39.3 | 89% | 0.893 | 20% | 0.203 | S | C | * | . | trans | -19 | 94.9 | 176.8 | -75.1 | 174.8 | -9.5 | 0 | 0 | 113.6 | ||||
| 141 | I | 63.4 | Low | 70.6 | Confident | 50 Ų | 50 | 45 Ų | 45 | 26% | 0.256 | 22% | 0.224 | S | C | . | . | trans | -98.3 | 140.4 | -173.9 | -50.6 | -170.1 | 0 | 0 | 0 | 108.4 | L124 R136 V137 K139 L144 | L124-I141 HydrophobicContact CB-CG2 4.49Å; L124-I141 HydrophobicContact CD2-CG2 3.98Å; R136-I141 WeakPolarHBondContact O-CD1 3.49Å; V137-I141 HydrophobicContact CB-CD1 4.27Å; V137-I141 HydrophobicContact CG1-CD1 4.31Å; V137-I141 HydrophobicContact CG2-CD1 4.5Å; K139-I141 WeakPolarHBondContact O-CG1 3.27Å; K139-I141 PolarHBondContact O-N 3.1Å; I141-L144 HydrophobicContact CG2-CD1 4.36Å | ||
| 142 | P | 70.3 | Confident | 70.4 | Confident | 36 Ų | 36 | 45.4 Ų | 45.4 | 23% | 0.234 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -56.3 | -179.2 | 159.3 | 25.8 | -34.5 | 0 | 0 | 0 | 111.7 | S121 L124 L144 | S121-P142 WeakPolarHBondContact O-CB 3.41Å; S121-P142 WeakPolarHBondContact O-CG 3.13Å; L124-P142 HydrophobicContact CB-CG 4.41Å; P142-L144 PolarHBondContact O-N 2.96Å |
| 143 | K | 86.9 | Confident | 70.2 | Confident | 86 Ų | 86 | 45.3 Ų | 45.3 | 37% | 0.374 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.3 | 130.1 | -179 | -64 | 165.8 | 168.1 | -173.4 | 0 | 110.2 | D122 T123 L124 C182 A488 | D122-K143 PolarHBondContact O-N 3.49Å; T123-K143 CarbonylContact C-O 3.57Å; T123-K143 VanDerWaalsContact CA-O 3.31Å; T123-K143 WeakPolarHBondContact CA-O 3.39Å; T123-K143 HydrophobicContact CG2-CB 4.34Å; T123-K143 WeakPolarHBondContact CG2-O 3.39Å; L124-K143 PolarHBondContact N-O 3.48Å; K143-C182 WeakPolarHBondContact CD-SG 3.16Å; K143-C182 WeakPolarHBondContact CE-SG 3.14Å; K143-A488 WeakPolarHBondContact CA-O 3.46Å; K143-A488 HydrophobicContact CG-CB 4Å |
| 144 | L | 86.6 | Confident | 70.5 | Confident | 8 Ų | 8 | 45.6 Ų | 45.6 | 4% | 0.042 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 110.1 | -169.3 | -177 | 67.2 | 0 | 0 | 0 | 112.7 | L124 L126 V137 I141 P142 F146 I201 A488 L489 P490 | L124-L144 HydrophobicContact CB-CD1 3.97Å; L124-L144 HydrophobicContact CD2-CD1 3.87Å; L124-L144 HydrophobicContact CG-CD1 4.21Å; L126-L144 HydrophobicContact CD1-CD1 3.65Å; L126-L144 HydrophobicContact CD1-CD2 4.44Å; L126-L144 HydrophobicContact CD1-CG 4.38Å; L126-L144 HydrophobicContact CD2-CD1 4.26Å; L126-L144 HydrophobicContact CG-CD1 3.66Å; V137-L144 HydrophobicContact CG2-CD2 4.16Å; I141-L144 HydrophobicContact CG2-CD1 4.36Å; P142-L144 PolarHBondContact O-N 2.96Å; L144-F146 HydrophobicContact CD2-CE1 3.99Å; L144-F146 HydrophobicContact CD2-CE2 4.36Å; L144-F146 HydrophobicContact CD2-CZ 3.48Å; L144-F146 VanDerWaalsContact CD2-CZ 3.48Å; L144-F146 HydrophobicContact CG-CE1 4.06Å; L144-F146 HydrophobicContact CG-CE2 4.21Å; L144-F146 HydrophobicContact CG-CZ 3.64Å; L144-I201 HydrophobicContact CD2-CD1 3.5Å; L144-A488 PolarHBondContact N-O 3.02Å; L144-A488 VanDerWaalsContact N-O 3.11Å; L144-L489 HydrophobicContact CB-CD2 3.76Å; L144-L489 HydrophobicContact CD2-CD2 4.29Å; L144-L489 HydrophobicContact CG-CD2 4.36Å; L144-L489 WeakPolarHBondContact O-CD2 3.28Å; L144-P490 WeakPolarHBondContact O-CD 3.42Å |
| 145 | A | 89.8 | Confident | 71.1 | Confident | 2 Ų | 2 | 44.4 Ų | 44.4 | 2% | 0.017 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 158.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | T123 L124 Y125 L126 V177 P490 | T123-A145 HydrophobicContact CG2-CB 4.02Å; L124-A145 PolarHBondContact O-N 2.79Å; Y125-A145 HydrophobicContact CD2-CB 3.49Å; Y125-A145 VanDerWaalsContact CD2-CB 3.49Å; Y125-A145 HydrophobicContact CE2-CB 4.06Å; Y125-A145 HydrophobicContact CG-CB 4.12Å; L126-A145 PolarHBondContact N-O 2.62Å; A145-V177 HydrophobicContact CB-CG2 3.39Å; A145-P490 HydrophobicContact CB-CG 3.34Å |
| 146 | F | 88.1 | Confident | 71.8 | Confident | 15 Ų | 15 | 40.5 Ų | 40.5 | 7% | 0.066 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 129.1 | -178 | -54.7 | -79 | 0 | 0 | 0 | 112.5 | L126 I133 L144 V155 A156 L159 I201 L489 | L126-F146 HydrophobicContact CB-CD1 4.13Å; L126-F146 HydrophobicContact CD1-CD1 4.31Å; L126-F146 HydrophobicContact CD1-CE1 3.88Å; L126-F146 HydrophobicContact CG-CE1 4.49Å; I133-F146 HydrophobicContact CB-CE1 4.16Å; I133-F146 HydrophobicContact CD1-CD1 3.31Å; I133-F146 HydrophobicContact CD1-CE1 3.6Å; I133-F146 HydrophobicContact CD1-CG 4.37Å; I133-F146 HydrophobicContact CG1-CD1 3.79Å; I133-F146 HydrophobicContact CG1-CE1 3.7Å; I133-F146 HydrophobicContact CG2-CD1 4.32Å; I133-F146 HydrophobicContact CG2-CE1 3.41Å; I133-F146 VanDerWaalsContact CG2-CE1 3.41Å; I133-F146 HydrophobicContact CG2-CZ 4.08Å; L144-F146 HydrophobicContact CD2-CE1 3.99Å; L144-F146 HydrophobicContact CD2-CE2 4.36Å; L144-F146 HydrophobicContact CD2-CZ 3.48Å; L144-F146 VanDerWaalsContact CD2-CZ 3.48Å; L144-F146 HydrophobicContact CG-CE1 4.06Å; L144-F146 HydrophobicContact CG-CE2 4.21Å; L144-F146 HydrophobicContact CG-CZ 3.64Å; F146-V155 HydrophobicContact CD1-CG1 4.31Å; F146-V155 HydrophobicContact CD2-CG1 3.72Å; F146-V155 HydrophobicContact CE1-CG1 4.12Å; F146-V155 HydrophobicContact CE2-CG1 3.5Å; F146-V155 HydrophobicContact CG-CG1 4.09Å; F146-V155 HydrophobicContact CZ-CG1 3.7Å; F146-A156 HydrophobicContact CB-CB 4.3Å; F146-L159 HydrophobicContact CD2-CD1 3.34Å; F146-L159 HydrophobicContact CE2-CD1 3.43Å; F146-L159 VanDerWaalsContact CE2-CD1 3.43Å; F146-I201 HydrophobicContact CE1-CD1 4.47Å; F146-I201 HydrophobicContact CZ-CD1 3.79Å; F146-L489 HydrophobicContact CE2-CD2 4.14Å |
| 147 | F | 90.9 | Very high | 72.7 | Confident | 3 Ų | 3 | 40.9 Ų | 40.9 | 1% | 0.013 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 126.8 | 169.6 | -178.1 | -105.2 | 0 | 0 | 0 | 108.7 | T81 K84 F85 A89 Y125 L126 V127 G149 Y170 | T81-F147 HydrophobicContact CG2-CD1 4.17Å; T81-F147 HydrophobicContact CG2-CE1 4.14Å; K84-F147 HydrophobicContact CB-CE1 4.32Å; K84-F147 HydrophobicContact CB-CZ 4.12Å; F85-F147 HydrophobicContact CB-CD1 4.05Å; F85-F147 HydrophobicContact CB-CD2 4.5Å; F85-F147 HydrophobicContact CB-CE1 3.79Å; F85-F147 HydrophobicContact CB-CE2 4.27Å; F85-F147 HydrophobicContact CB-CG 4.4Å; F85-F147 HydrophobicContact CB-CZ 3.91Å; F85-F147 HydrophobicContact CD2-CB 4.36Å; F85-F147 HydrophobicContact CD2-CD1 4.42Å; F85-F147 AromaticContact CD2-CD2 3.83Å; F85-F147 HydrophobicContact CD2-CD2 3.83Å; F85-F147 HydrophobicContact CD2-CE2 4.2Å; F85-F147 AromaticContact CD2-CG 3.94Å; F85-F147 HydrophobicContact CD2-CG 3.94Å; A89-F147 HydrophobicContact CB-CD2 3.96Å; A89-F147 HydrophobicContact CB-CE2 3.73Å; Y125-F147 HydrophobicContact CE2-CB 3.92Å; L126-F147 PolarHBondContact O-N 2.7Å; V127-F147 HydrophobicContact CB-CB 4.42Å; V127-F147 HydrophobicContact CG1-CD1 4.04Å; V127-F147 HydrophobicContact CG2-CB 3.91Å; V127-F147 HydrophobicContact CG2-CG 4.43Å; F147-G149 PolarHBondContact O-N 3.28Å; F147-Y170 HydrophobicContact CE1-CD1 4.26Å; F147-Y170 AromaticContact CE2-CD1 3.85Å; F147-Y170 HydrophobicContact CE2-CD1 3.85Å; F147-Y170 HydrophobicContact CE2-CG 4.07Å; F147-Y170 AromaticContact CZ-CD1 3.55Å; F147-Y170 HydrophobicContact CZ-CD1 3.55Å; F147-Y170 HydrophobicContact CZ-CE1 4.19Å; F147-Y170 AromaticContact CZ-CG 3.87Å; F147-Y170 HydrophobicContact CZ-CG 3.87Å |
| 148 | P | 85.9 | Confident | 73.7 | Confident | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.013 | 22% | 0.222 | C | C | . | . | trans | -77.1 | 58.3 | -175.6 | 28.1 | -30.5 | 0 | 0 | 0 | 111.9 | G150 A156 W169 Y170 S173 | P148-G150 PolarHBondContact O-N 2.9Å; P148-A156 HydrophobicContact CB-CB 3.92Å; P148-W169 HydrophobicContact CB-CD2 3.52Å; P148-W169 HydrophobicContact CB-CE3 3.64Å; P148-W169 HydrophobicContact CB-CG 4.3Å; P148-W169 HydrophobicContact CB-CH2 3.54Å; P148-W169 HydrophobicContact CB-CZ2 3.4Å; P148-W169 HydrophobicContact CB-CZ3 3.65Å; P148-W169 HydrophobicContact CG-CD2 3.69Å; P148-W169 HydrophobicContact CG-CE3 4.07Å; P148-W169 HydrophobicContact CG-CG 3.95Å; P148-W169 HydrophobicContact CG-CZ2 4.37Å; P148-Y170 HydrophobicContact CG-CD1 3.97Å; P148-Y170 HydrophobicContact CG-CE1 4.41Å; P148-Y170 VanDerWaalsContact O-CE1 3.3Å; P148-Y170 WeakPolarHBondContact O-CE1 3.3Å; P148-S173 VanDerWaalsContact CD-CB 3.46Å; P148-S173 WeakPolarHBondContact CD-OG 3.35Å | ||
| 149 | G | 73.7 | Confident | 75 | Confident | 5 Ų | 5 | 41.7 Ų | 41.7 | 5% | 0.052 | 20% | 0.202 | C | C | . | . | trans | -81.3 | -9.7 | -164.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | T81 F147 | T81-G149 WeakPolarHBondContact CB-O 3.43Å; T81-G149 VanDerWaalsContact CG2-O 3.3Å; T81-G149 WeakPolarHBondContact CG2-O 3.42Å; T81-G149 PolarHBondContact OG1-O 3.19Å; F147-G149 PolarHBondContact O-N 3.28Å | ||
| 150 | G | 67.4 | Low | 76.1 | Confident | 19 Ų | 19 | 36.2 Ų | 36.2 | 20% | 0.196 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -126 | 178.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | P148 D152 | P148-G150 PolarHBondContact O-N 2.9Å; G150-D152 VanDerWaalsContact C-N 3.3Å |
| 151 | Y | 60.1 | Low | 77.3 | Confident | 131 Ų | 131 | 30.9 Ų | 30.9 | 51% | 0.514 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -82.8 | -11.4 | 172.5 | -67.9 | -80.3 | 0 | 0 | 0 | 112.8 | R221 | Y151-R221 VanDerWaalsContact CE1-NH1 3.34Š|
| 152 | D | 62.2 | Low | 78.2 | Confident | 15 Ų | 15 | 31.8 Ų | 31.8 | 8% | 0.08 | 16% | 0.163 | C | C | . | . | trans | -121.9 | 32.4 | -168.9 | -63.6 | 53.6 | 0 | 0 | 0 | 111.4 | D130 G150 H154 K216 | D130-D152 VanDerWaalsContact CG-O 3.24Å; G150-D152 VanDerWaalsContact C-N 3.3Å; D152-H154 PolarHBondContact O-N 2.75Å; D152-K216 VanDerWaalsContact CG-CE 3.46Å; D152-K216 WeakPolarHBondContact OD1-CE 3.29Å; D152-K216 IonicContact OD1-NZ 2.78Å; D152-K216 PolarHBondContact OD1-NZ 2.8Å; D152-K216 VanDerWaalsContact OD1-NZ 3.16Å; D152-K216 WeakPolarHBondContact OD2-CE 3.33Å; D152-K216 IonicContact OD2-NZ 3.22Å; D152-K216 PolarHBondContact OD2-NZ 2.93Å | ||
| 153 | G | 62.7 | Low | 78.9 | Confident | 8 Ų | 8 | 31 Ų | 31 | 8% | 0.082 | 16% | 0.158 | C | C | . | . | trans | -82 | 62.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | D130 V155 A156 E157 | D130-G153 WeakPolarHBondContact OD1-CA 3.33Å; G153-V155 PolarHBondContact O-N 3.04Å; G153-A156 PolarHBondContact O-N 3.25Å; G153-A156 VanDerWaalsContact O-N 3.1Å; G153-E157 WeakPolarHBondContact O-CB 3.33Å; G153-E157 PolarHBondContact O-N 2.96Å | ||
| 154 | H | 72.7 | Confident | 78.8 | Confident | 12 Ų | 12 | 34.1 Ų | 34.1 | 6% | 0.056 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.9 | -39.7 | 179.2 | -74.4 | -89.7 | 0 | 0 | 0 | 110.7 | D130 D152 E157 H158 S202 Y353 | D130-H154 WeakPolarHBondContact OD2-CA 3.19Å; D130-H154 VanDerWaalsContact OD2-CB 3.31Å; D130-H154 WeakPolarHBondContact OD2-CB 3.48Å; D130-H154 PolarHBondContact OD2-N 3.29Å; D152-H154 PolarHBondContact O-N 2.75Å; H154-E157 PolarHBondContact O-N 3.13Å; H154-H158 PolarHBondContact O-N 3.26Å; H154-H158 PolarHBondContact O-ND1 3.42Å; H154-S202 WeakPolarHBondContact CB-OG 3.47Å; H154-Y353 AromaticContact CD2-CD2 3.62Å; H154-Y353 AromaticContact CD2-CE2 3.25Å; H154-Y353 WeakPolarHBondContact CD2-CE2 3.28Å; H154-Y353 AromaticContact CE1-CD2 3.6Å; H154-Y353 AromaticContact NE2-CD2 3.16Å; H154-Y353 WeakPolarHBondContact NE2-CD2 3.46Å; H154-Y353 AromaticContact NE2-CE2 3.17Å; H154-Y353 WeakPolarHBondContact NE2-CE2 3.44Å |
| 155 | V | 78 | Confident | 78.9 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.7 | -50.5 | 173.8 | -178 | 0 | 0 | 0 | 0 | 110.8 | D130 F146 G153 E157 H158 L159 I201 L318 | D130-V155 PolarHBondContact OD2-N 2.88Å; D130-V155 VanDerWaalsContact OD2-N 3.09Å; F146-V155 HydrophobicContact CD1-CG1 4.31Å; F146-V155 HydrophobicContact CD2-CG1 3.72Å; F146-V155 HydrophobicContact CE1-CG1 4.12Å; F146-V155 HydrophobicContact CE2-CG1 3.5Å; F146-V155 HydrophobicContact CG-CG1 4.09Å; F146-V155 HydrophobicContact CZ-CG1 3.7Å; G153-V155 PolarHBondContact O-N 3.04Å; V155-E157 VanDerWaalsContact C-N 3.32Å; V155-E157 PolarHBondContact O-N 2.78Å; V155-H158 PolarHBondContact O-N 3.46Å; V155-L159 HydrophobicContact CG1-CD1 3.66Å; V155-L159 HydrophobicContact CG1-CG 4.38Å; V155-L159 WeakPolarHBondContact O-CB 3.39Å; V155-L159 VanDerWaalsContact O-CG 3.3Å; V155-L159 WeakPolarHBondContact O-CG 3.38Å; V155-L159 PolarHBondContact O-N 3.13Å; V155-I201 HydrophobicContact CG1-CG2 3.8Å; V155-I201 HydrophobicContact CG2-CB 4.29Å; V155-I201 HydrophobicContact CG2-CG2 3.86Å; V155-L318 HydrophobicContact CG1-CD1 4.08Å |
| 156 | A | 78.1 | Confident | 79 | Confident | 8 Ų | 8 | 37.8 Ų | 37.8 | 7% | 0.066 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.7 | -35.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F146 P148 G153 L160 W169 | F146-A156 HydrophobicContact CB-CB 4.3Å; P148-A156 HydrophobicContact CB-CB 3.92Å; G153-A156 PolarHBondContact O-N 3.25Å; G153-A156 VanDerWaalsContact O-N 3.1Å; A156-L160 CarbonylContact O-C 3.58Å; A156-L160 WeakPolarHBondContact O-CA 3.48Å; A156-L160 WeakPolarHBondContact O-CB 3.26Å; A156-L160 PolarHBondContact O-N 2.61Å; A156-W169 HydrophobicContact CB-CZ2 4.4Å |
| 157 | E | 80.5 | Confident | 79.2 | Confident | 68 Ų | 68 | 37.1 Ų | 37.1 | 32% | 0.318 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -73.7 | -34.8 | 179 | -174.7 | 161.3 | -154.4 | 0 | 0 | 112.7 | G153 H154 V155 L160 K162 W169 | G153-E157 WeakPolarHBondContact O-CB 3.33Å; G153-E157 PolarHBondContact O-N 2.96Å; H154-E157 PolarHBondContact O-N 3.13Å; V155-E157 VanDerWaalsContact C-N 3.32Å; V155-E157 PolarHBondContact O-N 2.78Å; E157-L160 CarbonylContact O-C 3.58Å; E157-L160 VanDerWaalsContact O-C 3.32Å; E157-K162 HydrophobicContact CG-CB 4.38Å; E157-W169 HydrophobicContact CB-CZ2 4.13Å |
| 158 | H | 79.3 | Confident | 79.4 | Confident | 73 Ų | 73 | 41.6 Ų | 41.6 | 34% | 0.338 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -69.8 | -44.9 | 173.1 | -76.4 | 76.5 | 0 | 0 | 0 | 111.5 | H154 V155 L318 N319 | H154-H158 PolarHBondContact O-N 3.26Å; H154-H158 PolarHBondContact O-ND1 3.42Å; V155-H158 PolarHBondContact O-N 3.46Å; H158-L318 HydrophobicContact CB-CB 4.32Å; H158-L318 HydrophobicContact CB-CD1 4.21Å; H158-N319 PolarHBondContact O-OD1 3.3Å |
| 159 | L | 80.5 | Confident | 79.7 | Confident | 17 Ų | 17 | 41.7 Ų | 41.7 | 9% | 0.089 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -72.2 | -33 | 179.6 | -65.2 | 172.8 | 0 | 0 | 0 | 112.8 | F146 V155 L318 L489 V491 | F146-L159 HydrophobicContact CD2-CD1 3.34Å; F146-L159 HydrophobicContact CE2-CD1 3.43Å; F146-L159 VanDerWaalsContact CE2-CD1 3.43Å; V155-L159 HydrophobicContact CG1-CD1 3.66Å; V155-L159 HydrophobicContact CG1-CG 4.38Å; V155-L159 WeakPolarHBondContact O-CB 3.39Å; V155-L159 VanDerWaalsContact O-CG 3.3Å; V155-L159 WeakPolarHBondContact O-CG 3.38Å; V155-L159 PolarHBondContact O-N 3.13Å; L159-L318 HydrophobicContact CD2-CB 4.44Å; L159-L318 HydrophobicContact CG-CD1 4.45Å; L159-L489 HydrophobicContact CD1-CB 4.46Å; L159-L489 HydrophobicContact CD1-CD1 4.11Å; L159-L489 HydrophobicContact CD2-CB 4.26Å; L159-L489 HydrophobicContact CD2-CD1 3.83Å; L159-V491 HydrophobicContact CD2-CG2 4.13Å |
| 160 | L | 83.1 | Confident | 80.7 | Confident | 11 Ų | 11 | 42 Ų | 42 | 6% | 0.058 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -137.3 | 101.1 | 180 | -175.5 | 69 | 0 | 0 | 0 | 109.4 | A156 E157 K162 W169 Q172 R492 | A156-L160 CarbonylContact O-C 3.58Å; A156-L160 WeakPolarHBondContact O-CA 3.48Å; A156-L160 WeakPolarHBondContact O-CB 3.26Å; A156-L160 PolarHBondContact O-N 2.61Å; E157-L160 CarbonylContact O-C 3.58Å; E157-L160 VanDerWaalsContact O-C 3.32Å; L160-K162 PolarHBondContact O-N 3.37Å; L160-W169 PolarHBondContact O-NE1 3.26Å; L160-Q172 HydrophobicContact CD1-CB 4.07Å; L160-Q172 HydrophobicContact CD2-CB 3.73Å; L160-Q172 HydrophobicContact CG-CB 4.43Å; L160-R492 HydrophobicContact CD1-CB 4.07Å; L160-R492 HydrophobicContact CD1-CG 4.39Å |
| 161 | P | 83 | Confident | 82 | Confident | 80 Ų | 80 | 41 Ų | 41 | 52% | 0.519 | 19% | 0.194 | S | C | . | . | trans | -50.8 | 131.5 | 178.2 | -28.8 | 34.7 | 0 | 0 | 0 | 111.3 | S163 | P161-S163 PolarHBondContact O-N 3.4Š| ||
| 162 | K | 83.6 | Confident | 83.7 | Confident | 68 Ų | 68 | 35.9 Ų | 35.9 | 30% | 0.296 | 18% | 0.175 | S | C | . | . | trans | -59.1 | 121.8 | -176.4 | -168.6 | 172.8 | -168.9 | 169.6 | 0 | 110.4 | E157 L160 Y164 W169 | E157-K162 HydrophobicContact CG-CB 4.38Å; L160-K162 PolarHBondContact O-N 3.37Å; K162-Y164 HydrophobicContact CD-CE2 4.28Å; K162-Y164 VanDerWaalsContact CE-OH 3.27Å; K162-Y164 WeakPolarHBondContact CE-OH 3.39Å; K162-Y164 HydrophobicContact CG-CE2 4.27Å; K162-W169 HydrophobicContact CB-CD2 4.45Å; K162-W169 HydrophobicContact CB-CZ2 4.34Å; K162-W169 HydrophobicContact CD-CE3 4.5Å; K162-W169 HydrophobicContact CD-CH2 4.34Å; K162-W169 HydrophobicContact CD-CZ3 4.19Å; K162-W169 HydrophobicContact CG-CD2 4.01Å; K162-W169 HydrophobicContact CG-CE3 3.91Å; K162-W169 HydrophobicContact CG-CH2 4.28Å; K162-W169 HydrophobicContact CG-CZ2 4.37Å; K162-W169 HydrophobicContact CG-CZ3 4.06Å | ||
| 163 | S | 84.2 | Confident | 85.2 | Confident | 19 Ų | 19 | 35.5 Ų | 35.5 | 13% | 0.133 | 17% | 0.173 | C | C | . | . | trans | -111.4 | 137.8 | 178.3 | 63.9 | 0 | 0 | 0 | 0 | 111 | P161 P165 R168 W169 Q172 | P161-S163 PolarHBondContact O-N 3.4Å; S163-P165 CarbonylContact O-C 3.49Å; S163-R168 WeakPolarHBondContact OG-CG 3.26Å; S163-W169 WeakPolarHBondContact OG-CA 3.27Å; S163-W169 PolarHBondContact OG-N 2.81Å; S163-Q172 PolarHBondContact OG-OE1 3.47Å | ||
| 164 | Y | 83.9 | Confident | 86.8 | Confident | 153 Ų | 153 | 35.1 Ų | 35.1 | 60% | 0.6 | 17% | 0.169 | S | C | * | . | S | Bend | trans | -103.2 | 142.8 | 173.8 | -72.3 | -83.2 | 0 | 0 | 0 | 110.6 | K162 L166 | K162-Y164 HydrophobicContact CD-CE2 4.28Å; K162-Y164 VanDerWaalsContact CE-OH 3.27Å; K162-Y164 WeakPolarHBondContact CE-OH 3.39Å; K162-Y164 HydrophobicContact CG-CE2 4.27Å; Y164-L166 HydrophobicContact CD1-CD2 4.36Å; Y164-L166 HydrophobicContact CD1-CG 4.34Å; Y164-L166 HydrophobicContact CE1-CD2 3.89Å; Y164-L166 HydrophobicContact CE1-CG 4.1Å |
| 165 | P | 90.1 | Very high | 87.9 | Confident | 32 Ų | 32 | 35.6 Ų | 35.6 | 21% | 0.208 | 17% | 0.171 | C | C | . | . | S | Bend | cis | -67.9 | 156.6 | -4.8 | 30.2 | -35.7 | 0 | 0 | 0 | 112.5 | I43 S163 V167 R168 | I43-P165 HydrophobicContact CD1-CG 3.18Å; S163-P165 CarbonylContact O-C 3.49Å; P165-V167 PolarHBondContact O-N 3.4Å; P165-R168 WeakPolarHBondContact O-CB 3.23Å; P165-R168 PolarHBondContact O-N 3.08Å |
| 166 | L | 90.3 | Very high | 88.6 | Confident | 54 Ų | 54 | 36 Ų | 36 | 28% | 0.283 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -55 | -27.8 | -172.2 | -69.9 | 174.3 | 0 | 0 | 0 | 114.3 | Y164 R168 W169 Y170 | Y164-L166 HydrophobicContact CD1-CD2 4.36Å; Y164-L166 HydrophobicContact CD1-CG 4.34Å; Y164-L166 HydrophobicContact CE1-CD2 3.89Å; Y164-L166 HydrophobicContact CE1-CG 4.1Å; L166-R168 PolarHBondContact O-N 2.94Å; L166-W169 HydrophobicContact CD2-CE3 4.03Å; L166-W169 WeakPolarHBondContact O-CA 3.31Å; L166-W169 WeakPolarHBondContact O-CB 3.3Å; L166-W169 PolarHBondContact O-N 3.49Å; L166-Y170 HydrophobicContact CB-CE2 4.03Å; L166-Y170 WeakPolarHBondContact O-CD2 3.43Å; L166-Y170 PolarHBondContact O-N 2.99Å |
| 167 | V | 93.5 | Very high | 89.5 | Confident | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.012 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.5 | -36.8 | 174.1 | 174.4 | 0 | 0 | 0 | 0 | 111.7 | E40 I43 F44 Y88 P165 W169 Y170 C171 | E40-V167 HydrophobicContact CB-CG2 3.9Å; E40-V167 VanDerWaalsContact CD-CG2 3.49Å; E40-V167 HydrophobicContact CG-CB 4.26Å; E40-V167 HydrophobicContact CG-CG2 3.48Å; E40-V167 VanDerWaalsContact CG-CG2 3.48Å; I43-V167 HydrophobicContact CG2-CG1 4.39Å; F44-V167 HydrophobicContact CB-CG1 4.17Å; Y88-V167 HydrophobicContact CD1-CB 4.45Å; Y88-V167 HydrophobicContact CD1-CG1 3.58Å; Y88-V167 HydrophobicContact CD1-CG2 4.13Å; Y88-V167 HydrophobicContact CD2-CG2 4.5Å; Y88-V167 HydrophobicContact CE1-CB 4.24Å; Y88-V167 HydrophobicContact CE1-CG1 3.64Å; Y88-V167 HydrophobicContact CE1-CG2 3.53Å; Y88-V167 HydrophobicContact CE2-CG2 3.99Å; Y88-V167 HydrophobicContact CG-CG1 4.28Å; Y88-V167 VanDerWaalsContact CZ-CG2 3.45Å; P165-V167 PolarHBondContact O-N 3.4Å; V167-W169 VanDerWaalsContact C-N 3.3Å; V167-W169 PolarHBondContact O-N 3.46Å; V167-Y170 PolarHBondContact O-N 3.41Å; V167-C171 PolarHBondContact O-N 3.09Å; V167-C171 PolarHBondContact O-SG 3.33Å |
| 168 | R | 94.7 | Very high | 90.2 | Very high | 96 Ų | 96 | 32.5 Ų | 32.5 | 36% | 0.362 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -60.6 | -42.2 | 173.9 | -171.9 | 179.9 | -70.1 | 174.5 | 0.1 | 111 | I43 Y47 S163 P165 L166 C171 Q172 | I43-R168 HydrophobicContact CG2-CB 4.19Å; Y47-R168 HydrophobicContact CE2-CG 4.23Å; S163-R168 WeakPolarHBondContact OG-CG 3.26Å; P165-R168 WeakPolarHBondContact O-CB 3.23Å; P165-R168 PolarHBondContact O-N 3.08Å; L166-R168 PolarHBondContact O-N 2.94Å; R168-C171 PolarHBondContact O-N 2.91Å; R168-Q172 HydrophobicContact CG-CG 4.32Å; R168-Q172 VanDerWaalsContact O-CB 3.26Å; R168-Q172 WeakPolarHBondContact O-CB 3.34Å; R168-Q172 WeakPolarHBondContact O-CG 3.3Å; R168-Q172 PolarHBondContact O-N 3.1Å |
| 169 | W | 91.8 | Very high | 90.9 | Very high | 5 Ų | 5 | 30.1 Ų | 30.1 | 2% | 0.019 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65 | -42.2 | 178.2 | -165.7 | 35.4 | 0 | 0 | 0 | 111.8 | P148 A156 E157 L160 K162 S163 L166 V167 Q172 S173 | P148-W169 HydrophobicContact CB-CD2 3.52Å; P148-W169 HydrophobicContact CB-CE3 3.64Å; P148-W169 HydrophobicContact CB-CG 4.3Å; P148-W169 HydrophobicContact CB-CH2 3.54Å; P148-W169 HydrophobicContact CB-CZ2 3.4Å; P148-W169 HydrophobicContact CB-CZ3 3.65Å; P148-W169 HydrophobicContact CG-CD2 3.69Å; P148-W169 HydrophobicContact CG-CE3 4.07Å; P148-W169 HydrophobicContact CG-CG 3.95Å; P148-W169 HydrophobicContact CG-CZ2 4.37Å; A156-W169 HydrophobicContact CB-CZ2 4.4Å; E157-W169 HydrophobicContact CB-CZ2 4.13Å; L160-W169 PolarHBondContact O-NE1 3.26Å; K162-W169 HydrophobicContact CB-CD2 4.45Å; K162-W169 HydrophobicContact CB-CZ2 4.34Å; K162-W169 HydrophobicContact CD-CE3 4.5Å; K162-W169 HydrophobicContact CD-CH2 4.34Å; K162-W169 HydrophobicContact CD-CZ3 4.19Å; K162-W169 HydrophobicContact CG-CD2 4.01Å; K162-W169 HydrophobicContact CG-CE3 3.91Å; K162-W169 HydrophobicContact CG-CH2 4.28Å; K162-W169 HydrophobicContact CG-CZ2 4.37Å; K162-W169 HydrophobicContact CG-CZ3 4.06Å; S163-W169 WeakPolarHBondContact OG-CA 3.27Å; S163-W169 PolarHBondContact OG-N 2.81Å; L166-W169 HydrophobicContact CD2-CE3 4.03Å; L166-W169 WeakPolarHBondContact O-CA 3.31Å; L166-W169 WeakPolarHBondContact O-CB 3.3Å; L166-W169 PolarHBondContact O-N 3.49Å; V167-W169 VanDerWaalsContact C-N 3.3Å; V167-W169 PolarHBondContact O-N 3.46Å; W169-Q172 PolarHBondContact O-N 3.37Å; W169-S173 PolarHBondContact O-N 3.5Å; W169-S173 VanDerWaalsContact O-N 3.09Å |
| 170 | Y | 94.4 | Very high | 91.4 | Very high | 10 Ų | 10 | 30.3 Ų | 30.3 | 4% | 0.039 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.8 | -52.3 | 173.6 | -57.7 | -35.3 | 0 | 0 | 0 | 111.7 | K84 Y88 F147 P148 L166 V167 Q172 S173 A174 | K84-Y170 HydrophobicContact CB-CE2 4.35Å; K84-Y170 HydrophobicContact CD-CE2 3.84Å; K84-Y170 WeakPolarHBondContact CD-OH 3.41Å; K84-Y170 HydrophobicContact CG-CE2 4.23Å; K84-Y170 PolarHBondContact NZ-OH 3.45Å; Y88-Y170 AromaticContact CD2-CD2 3.75Å; Y88-Y170 HydrophobicContact CD2-CD2 3.75Å; Y88-Y170 HydrophobicContact CD2-CE2 4.43Å; Y88-Y170 HydrophobicContact CE2-CD2 4.27Å; Y88-Y170 HydrophobicContact CG-CD2 4.35Å; F147-Y170 HydrophobicContact CE1-CD1 4.26Å; F147-Y170 AromaticContact CE2-CD1 3.85Å; F147-Y170 HydrophobicContact CE2-CD1 3.85Å; F147-Y170 HydrophobicContact CE2-CG 4.07Å; F147-Y170 AromaticContact CZ-CD1 3.55Å; F147-Y170 HydrophobicContact CZ-CD1 3.55Å; F147-Y170 HydrophobicContact CZ-CE1 4.19Å; F147-Y170 AromaticContact CZ-CG 3.87Å; F147-Y170 HydrophobicContact CZ-CG 3.87Å; P148-Y170 HydrophobicContact CG-CD1 3.97Å; P148-Y170 HydrophobicContact CG-CE1 4.41Å; P148-Y170 VanDerWaalsContact O-CE1 3.3Å; P148-Y170 WeakPolarHBondContact O-CE1 3.3Å; L166-Y170 HydrophobicContact CB-CE2 4.03Å; L166-Y170 WeakPolarHBondContact O-CD2 3.43Å; L166-Y170 PolarHBondContact O-N 2.99Å; V167-Y170 PolarHBondContact O-N 3.41Å; Y170-Q172 PolarHBondContact O-N 3.25Å; Y170-S173 PolarHBondContact O-N 3.4Å; Y170-S173 PolarHBondContact O-OG 3.2Å; Y170-A174 PolarHBondContact O-N 3.39Å |
| 171 | C | 96.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.2 | -39.9 | -179.5 | -61.5 | 0 | 0 | 0 | 0 | 112.2 | Y47 L92 V167 R168 S173 A174 M175 | Y47-C171 HydrophobicContact CD1-CB 3.76Å; Y47-C171 HydrophobicContact CD2-CB 3.26Å; Y47-C171 HydrophobicContact CE1-CB 4.09Å; Y47-C171 HydrophobicContact CE2-CB 3.67Å; Y47-C171 HydrophobicContact CG-CB 3.34Å; L92-C171 HydrophobicContact CD1-CB 3.85Å; V167-C171 PolarHBondContact O-N 3.09Å; V167-C171 PolarHBondContact O-SG 3.33Å; R168-C171 PolarHBondContact O-N 2.91Å; C171-S173 VanDerWaalsContact C-N 3.3Å; C171-S173 PolarHBondContact O-N 3.35Å; C171-A174 PolarHBondContact O-N 3.15Å; C171-M175 WeakPolarHBondContact O-CB 3.38Å; C171-M175 VanDerWaalsContact O-CG 3.31Å; C171-M175 WeakPolarHBondContact O-CG 3.33Å; C171-M175 PolarHBondContact O-N 3.15Å |
| 172 | Q | 94.5 | Very high | 91.4 | Very high | 23 Ų | 23 | 30.4 Ų | 30.4 | 11% | 0.107 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.9 | -37.7 | 177.2 | -78.2 | 174.3 | -12.2 | 0 | 0 | 112.2 | Y47 L160 S163 R168 W169 Y170 M175 A176 | Y47-Q172 HydrophobicContact CE1-CG 4.29Å; Y47-Q172 WeakPolarHBondContact OH-CG 3.38Å; Y47-Q172 PolarHBondContact OH-NE2 2.85Å; L160-Q172 HydrophobicContact CD1-CB 4.07Å; L160-Q172 HydrophobicContact CD2-CB 3.73Å; L160-Q172 HydrophobicContact CG-CB 4.43Å; S163-Q172 PolarHBondContact OG-OE1 3.47Å; R168-Q172 HydrophobicContact CG-CG 4.32Å; R168-Q172 VanDerWaalsContact O-CB 3.26Å; R168-Q172 WeakPolarHBondContact O-CB 3.34Å; R168-Q172 WeakPolarHBondContact O-CG 3.3Å; R168-Q172 PolarHBondContact O-N 3.1Å; W169-Q172 PolarHBondContact O-N 3.37Å; Y170-Q172 PolarHBondContact O-N 3.25Å; Q172-M175 PolarHBondContact O-N 3.48Å; Q172-A176 PolarHBondContact O-N 3.37Å |
| 173 | S | 93.9 | Very high | 91.1 | Very high | 7 Ų | 7 | 32 Ų | 32 | 5% | 0.049 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.8 | -41.9 | 176.2 | 73.6 | 0 | 0 | 0 | 0 | 112 | Y125 P148 W169 Y170 C171 A176 V177 | Y125-S173 PolarHBondContact OH-OG 3.39Å; P148-S173 VanDerWaalsContact CD-CB 3.46Å; P148-S173 WeakPolarHBondContact CD-OG 3.35Å; W169-S173 PolarHBondContact O-N 3.5Å; W169-S173 VanDerWaalsContact O-N 3.09Å; Y170-S173 PolarHBondContact O-N 3.4Å; Y170-S173 PolarHBondContact O-OG 3.2Å; C171-S173 VanDerWaalsContact C-N 3.3Å; C171-S173 PolarHBondContact O-N 3.35Å; S173-A176 PolarHBondContact O-N 2.97Å; S173-V177 PolarHBondContact O-N 3.2Å |
| 174 | A | 96.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -69 | -40.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | A89 L92 Y125 Y170 C171 A176 V177 I178 | A89-A174 HydrophobicContact CB-CB 3.89Å; L92-A174 HydrophobicContact CB-CB 4.32Å; L92-A174 HydrophobicContact CD1-CB 4.04Å; Y125-A174 PolarHBondContact OH-N 3.44Å; Y170-A174 PolarHBondContact O-N 3.39Å; C171-A174 PolarHBondContact O-N 3.15Å; A174-A176 VanDerWaalsContact C-N 3.27Å; A174-A176 PolarHBondContact O-N 2.65Å; A174-V177 WeakPolarHBondContact O-CB 3.2Å; A174-V177 PolarHBondContact O-N 3.01Å; A174-V177 VanDerWaalsContact O-N 3.12Å; A174-I178 WeakPolarHBondContact O-CG1 3.2Å; A174-I178 PolarHBondContact O-N 3.2Å |
| 175 | M | 96.4 | Very high | 90.3 | Very high | 21 Ų | 21 | 29.8 Ų | 29.8 | 10% | 0.103 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.9 | -31.5 | 176 | -71.1 | -52.7 | -58.6 | 0 | 0 | 112.9 | Y47 K50 A51 Y54 C171 Q172 V177 I178 A179 | Y47-M175 HydrophobicContact CD1-CG 3.4Å; Y47-M175 HydrophobicContact CD1-SD 4.18Å; Y47-M175 HydrophobicContact CE1-CG 3.72Å; K50-M175 HydrophobicContact CB-CE 4.1Å; A51-M175 HydrophobicContact CB-SD 4.09Å; Y54-M175 HydrophobicContact CD2-CE 3.77Å; Y54-M175 HydrophobicContact CE2-CE 3.48Å; Y54-M175 VanDerWaalsContact CE2-CE 3.48Å; C171-M175 WeakPolarHBondContact O-CB 3.38Å; C171-M175 VanDerWaalsContact O-CG 3.31Å; C171-M175 WeakPolarHBondContact O-CG 3.33Å; C171-M175 PolarHBondContact O-N 3.15Å; Q172-M175 PolarHBondContact O-N 3.48Å; M175-V177 VanDerWaalsContact C-N 3.31Å; M175-I178 HydrophobicContact CE-CG2 4.34Å; M175-I178 PolarHBondContact O-N 3.32Å; M175-I178 HydrophobicContact SD-CD1 3.75Å; M175-A179 VanDerWaalsContact O-CB 3.23Å; M175-A179 WeakPolarHBondContact O-CB 3.49Å; M175-A179 PolarHBondContact O-N 2.92Å |
| 176 | A | 93.4 | Very high | 89.6 | Confident | 9 Ų | 9 | 28.7 Ų | 28.7 | 7% | 0.074 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64 | -39.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q172 S173 A174 G180 | Q172-A176 PolarHBondContact O-N 3.37Å; S173-A176 PolarHBondContact O-N 2.97Å; A174-A176 VanDerWaalsContact C-N 3.27Å; A174-A176 PolarHBondContact O-N 2.65Å; A176-G180 PolarHBondContact O-N 3.43Å |
| 177 | V | 95.2 | Very high | 89 | Confident | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.012 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.4 | -48.3 | 172.4 | 177.3 | 0 | 0 | 0 | 0 | 110.9 | V68 L93 T123 Y125 A145 S173 A174 M175 A179 G180 | V68-V177 HydrophobicContact CG1-CG1 4.16Å; V68-V177 HydrophobicContact CG2-CG1 3.92Å; L93-V177 HydrophobicContact CD2-CB 4.34Å; L93-V177 HydrophobicContact CD2-CG1 4.08Å; T123-V177 HydrophobicContact CG2-CG1 4.14Å; Y125-V177 HydrophobicContact CD1-CG2 4.26Å; Y125-V177 HydrophobicContact CD2-CG2 4.19Å; Y125-V177 HydrophobicContact CE1-CG2 4.26Å; Y125-V177 HydrophobicContact CE2-CG2 4.13Å; Y125-V177 HydrophobicContact CG-CG2 4.23Å; A145-V177 HydrophobicContact CB-CG2 3.39Å; S173-V177 PolarHBondContact O-N 3.2Å; A174-V177 WeakPolarHBondContact O-CB 3.2Å; A174-V177 PolarHBondContact O-N 3.01Å; A174-V177 VanDerWaalsContact O-N 3.12Å; M175-V177 VanDerWaalsContact C-N 3.31Å; V177-A179 PolarHBondContact O-N 3.31Å; V177-G180 PolarHBondContact O-N 3.19Å |
| 178 | I | 96.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.7 | -47.4 | 179.4 | -67.3 | 162.5 | 0 | 0 | 0 | 111 | A51 Y54 R66 L92 L93 A96 L98 A174 M175 G180 | A51-I178 HydrophobicContact CB-CD1 4.04Å; Y54-I178 HydrophobicContact CD1-CG2 3.94Å; Y54-I178 HydrophobicContact CD2-CG2 3.64Å; Y54-I178 HydrophobicContact CE1-CG2 4.46Å; Y54-I178 HydrophobicContact CE2-CG2 4.21Å; Y54-I178 HydrophobicContact CG-CG2 3.5Å; Y54-I178 VanDerWaalsContact CG-CG2 3.5Å; R66-I178 PolarHBondContact NH1-O 3.31Å; R66-I178 PolarHBondContact NH2-O 2.85Å; L92-I178 HydrophobicContact CB-CD1 3.91Å; L92-I178 WeakPolarHBondContact O-CD1 3.26Å; L93-I178 HydrophobicContact CD2-CD1 4.43Å; L93-I178 HydrophobicContact CD2-CG1 4.03Å; A96-I178 HydrophobicContact CB-CB 4.23Å; A96-I178 HydrophobicContact CB-CD1 3.84Å; A96-I178 HydrophobicContact CB-CG1 3.66Å; A96-I178 HydrophobicContact CB-CG2 3.56Å; L98-I178 HydrophobicContact CD1-CG1 3.91Å; A174-I178 WeakPolarHBondContact O-CG1 3.2Å; A174-I178 PolarHBondContact O-N 3.2Å; M175-I178 HydrophobicContact CE-CG2 4.34Å; M175-I178 PolarHBondContact O-N 3.32Å; M175-I178 HydrophobicContact SD-CD1 3.75Å; I178-G180 PolarHBondContact O-N 3Å |
| 179 | A | 94 | Very high | 87.8 | Confident | 24 Ų | 24 | 26.8 Ų | 26.8 | 20% | 0.198 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.6 | -20.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | M175 V177 V181 P493 | M175-A179 VanDerWaalsContact O-CB 3.23Å; M175-A179 WeakPolarHBondContact O-CB 3.49Å; M175-A179 PolarHBondContact O-N 2.92Å; V177-A179 PolarHBondContact O-N 3.31Å; A179-V181 HydrophobicContact CB-CG2 4.1Å; A179-V181 PolarHBondContact O-N 3.04Å; A179-V181 VanDerWaalsContact O-N 3.14Å; A179-P493 HydrophobicContact CB-CG 4.15Å |
| 180 | G | 90.3 | Very high | 87.4 | Confident | 20 Ų | 20 | 26.6 Ų | 26.6 | 21% | 0.206 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67 | 10.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | A176 V177 I178 C182 | A176-G180 PolarHBondContact O-N 3.43Å; V177-G180 PolarHBondContact O-N 3.19Å; I178-G180 PolarHBondContact O-N 3Å; G180-C182 PolarHBondContact O-N 3.44Å; G180-C182 PolarHBondContact O-SG 3.42Å |
| 181 | V | 83.2 | Confident | 86.9 | Confident | 53 Ų | 53 | 32 Ų | 32 | 32% | 0.321 | 17% | 0.168 | S | C | . | . | trans | -73 | 126.9 | -179.2 | 175.8 | 0 | 0 | 0 | 0 | 109.1 | A179 P490 V491 P493 | A179-V181 HydrophobicContact CB-CG2 4.1Å; A179-V181 PolarHBondContact O-N 3.04Å; A179-V181 VanDerWaalsContact O-N 3.14Å; V181-P490 CarbonylContact O-C 3.55Å; V181-P490 WeakPolarHBondContact O-CA 3.37Å; V181-P490 WeakPolarHBondContact O-CB 3.45Å; V181-V491 WeakPolarHBondContact CB-O 3.34Å; V181-V491 WeakPolarHBondContact CG1-O 3.44Å; V181-V491 PolarHBondContact O-N 2.68Å; V181-P493 HydrophobicContact CG2-CB 3.99Å; V181-P493 HydrophobicContact CG2-CG 4.36Å | ||
| 182 | C | 82.2 | Confident | 86.3 | Confident | 40 Ų | 40 | 32.4 Ų | 32.4 | 27% | 0.27 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 147.8 | -176.8 | -58.1 | 0 | 0 | 0 | 0 | 112.1 | K143 G180 A488 L489 | K143-C182 WeakPolarHBondContact CD-SG 3.16Å; K143-C182 WeakPolarHBondContact CE-SG 3.14Å; G180-C182 PolarHBondContact O-N 3.44Å; G180-C182 PolarHBondContact O-SG 3.42Å; C182-A488 HydrophobicContact CB-CB 3.43Å; C182-A488 VanDerWaalsContact CB-CB 3.43Å; C182-L489 CarbonylContact C-O 3.48Å; C182-L489 VanDerWaalsContact CA-O 3.28Å; C182-L489 WeakPolarHBondContact CA-O 3.47Å |
| 183 | R | 78.3 | Confident | 85.6 | Confident | 103 Ų | 103 | 35.3 Ų | 35.3 | 39% | 0.389 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 146.6 | 165.7 | -66.2 | -174.4 | -172 | 175.4 | -6.4 | 108.9 | A488 L489 V491 D494 | R183-A488 CarbonylContact O-C 3.56Å; R183-A488 WeakPolarHBondContact O-CA 3.28Å; R183-L489 PolarHBondContact N-O 3.02Å; R183-L489 PolarHBondContact O-N 3Å; R183-L489 VanDerWaalsContact O-O 3.06Å; R183-V491 HydrophobicContact CB-CB 4.19Å; R183-V491 HydrophobicContact CB-CG2 3.57Å; R183-V491 HydrophobicContact CG-CB 3.65Å; R183-V491 HydrophobicContact CG-CG1 4.26Å; R183-V491 HydrophobicContact CG-CG2 3.61Å; R183-V491 VanDerWaalsContact CZ-CG1 3.43Å; R183-D494 IonicContact NH2-OD1 3.43Å; R183-D494 PolarHBondContact NH2-OD1 2.73Å; R183-D494 IonicContact NH2-OD2 3.88Å; R183-D494 PolarHBondContact NH2-OD2 3.44Å |
| 184 | N | 76.1 | Confident | 84.8 | Confident | 121 Ų | 121 | 39.3 Ų | 39.3 | 65% | 0.647 | 23% | 0.229 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 135.2 | 174.9 | -64.3 | -27.8 | 0 | 0 | 0 | 109 | ||
| 185 | G | 74.9 | Confident | 84 | Confident | 3 Ų | 3 | 43.6 Ų | 43.6 | 3% | 0.031 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 134.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | S486 | G185-S486 CarbonylContact O-C 3.32Å; G185-S486 WeakPolarHBondContact O-CA 3.25Å; G185-S486 PolarHBondContact O-N 3.48Å; G185-S486 PolarHBondContact O-OG 2.76Å |
| 186 | S | 75 | Confident | 83.1 | Confident | 9 Ų | 9 | 48.1 Ų | 48.1 | 6% | 0.063 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 151.3 | 166.1 | -65.5 | 0 | 0 | 0 | 0 | 109.7 | N316 L318 P323 V484 | S186-N316 WeakPolarHBondContact CB-OD1 3.21Å; S186-N316 PolarHBondContact O-ND2 3.02Å; S186-L318 WeakPolarHBondContact O-CD2 3.31Å; S186-P323 WeakPolarHBondContact OG-CB 3.49Å; S186-V484 CarbonylContact C-O 3.45Å |
| 187 | A | 79.1 | Confident | 82.2 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 143.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | V137 L199 I201 P483 V484 S486 | V137-A187 HydrophobicContact CG1-CB 4.39Å; A187-L199 HydrophobicContact CB-CD2 4.29Å; A187-I201 HydrophobicContact CB-CG1 4.42Å; A187-P483 CarbonylContact O-C 3.53Å; A187-P483 WeakPolarHBondContact O-CA 3.38Å; A187-V484 PolarHBondContact N-O 3.02Å; A187-V484 PolarHBondContact O-N 3.25Å; A187-V484 VanDerWaalsContact O-O 3.1Å; A187-S486 WeakPolarHBondContact CB-OG 3.34Å |
| 188 | V | 79.9 | Confident | 81.2 | Confident | 8 Ų | 8 | 52.6 Ų | 52.6 | 5% | 0.048 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 117.4 | -177.5 | -173.3 | 0 | 0 | 0 | 0 | 109.8 | C190 L199 A200 N316 L325 M481 | V188-C190 PolarHBondContact O-N 3.44Å; V188-L199 CarbonylContact O-C 3.58Å; V188-L199 WeakPolarHBondContact O-CA 3.31Å; V188-A200 PolarHBondContact N-O 3.36Å; V188-A200 PolarHBondContact O-N 3.47Å; V188-N316 HydrophobicContact CG2-CB 3.73Å; V188-L325 HydrophobicContact CG1-CD1 4.16Å; V188-L325 HydrophobicContact CG2-CD1 3.68Å; V188-M481 HydrophobicContact CG1-CB 3.9Å; V188-M481 HydrophobicContact CG1-CG 4.37Å |
| 189 | K | 83.3 | Confident | 80.2 | Confident | 105 Ų | 105 | 54 Ų | 54 | 46% | 0.457 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 111.8 | 169.4 | -173.2 | 175.6 | -177.6 | 174 | 0 | 109.7 | A197 Y198 L199 M481 V482 V484 | K189-A197 HydrophobicContact CG-CB 4.13Å; K189-Y198 WeakPolarHBondContact CA-O 3.48Å; K189-L199 HydrophobicContact CB-CD2 3.71Å; K189-L199 HydrophobicContact CG-CD2 4.29Å; K189-M481 WeakPolarHBondContact O-CA 3.39Å; K189-V482 PolarHBondContact N-O 2.85Å; K189-V482 PolarHBondContact O-N 2.85Å; K189-V484 HydrophobicContact CB-CG2 3.67Å; K189-V484 HydrophobicContact CD-CG2 4.31Å |
| 190 | C | 82.3 | Confident | 79.4 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.007 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 119 | 177.4 | -65.1 | 0 | 0 | 0 | 0 | 109.7 | V188 A197 Y198 K480 | V188-C190 PolarHBondContact O-N 3.44Å; C190-A197 CarbonylContact O-C 3.57Å; C190-A197 VanDerWaalsContact O-CA 3.24Å; C190-A197 WeakPolarHBondContact O-CA 3.23Å; C190-Y198 HydrophobicContact CB-CD1 4.18Å; C190-Y198 HydrophobicContact CB-CD2 3.97Å; C190-Y198 HydrophobicContact CB-CE1 3.73Å; C190-Y198 HydrophobicContact CB-CE2 3.49Å; C190-Y198 VanDerWaalsContact CB-CE2 3.49Å; C190-Y198 HydrophobicContact CB-CG 4.29Å; C190-Y198 PolarHBondContact N-O 2.78Å; C190-Y198 WeakPolarHBondContact O-CD1 3.41Å; C190-Y198 PolarHBondContact O-N 3.43Å; C190-K480 CarbonylContact C-O 3.59Å; C190-K480 WeakPolarHBondContact CA-O 3.33Å |
| 191 | K | 84.2 | Confident | 78.9 | Confident | 124 Ų | 124 | 52.3 Ų | 52.3 | 54% | 0.539 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 117.3 | 172.9 | -173.5 | 179.4 | -180 | -178.3 | 0 | 109.1 | A197 V479 K480 | K191-A197 HydrophobicContact CB-CB 4.08Å; K191-A197 HydrophobicContact CG-CB 4.34Å; K191-V479 CarbonylContact O-C 3.47Å; K191-V479 WeakPolarHBondContact O-CA 3.32Å; K191-K480 HydrophobicContact CB-CB 4.47Å; K191-K480 PolarHBondContact N-O 2.59Å; K191-K480 PolarHBondContact O-N 3.29Å |
| 192 | V | 82.8 | Confident | 78.7 | Confident | 8 Ų | 8 | 50.7 Ų | 50.7 | 5% | 0.048 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 137.4 | 173.6 | -176.5 | 0 | 0 | 0 | 0 | 108.2 | G194 K195 Y198 I397 V479 | V192-G194 PolarHBondContact O-N 3.25Å; V192-K195 HydrophobicContact CB-CB 4.45Å; V192-K195 PolarHBondContact O-N 2.69Å; V192-Y198 HydrophobicContact CG2-CE1 4.13Å; V192-I397 HydrophobicContact CG1-CG1 4.29Å; V192-I397 HydrophobicContact CG1-CG2 4.42Å; V192-V479 HydrophobicContact CG1-CG2 4.48Å; V192-V479 HydrophobicContact CG2-CG1 4.26Å; V192-V479 HydrophobicContact CG2-CG2 4.11Å |
| 193 | D | 79.6 | Confident | 78.5 | Confident | 84 Ų | 84 | 50 Ų | 50 | 45% | 0.449 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | 129.8 | 179 | -71.9 | -25.4 | 0 | 0 | 0 | 112.2 | K195 R478 | D193-K195 VanDerWaalsContact C-N 3.28Å; D193-K195 PolarHBondContact O-N 3.09Å; D193-R478 PolarHBondContact N-O 3.37Å; D193-R478 VanDerWaalsContact N-O 3.17Å; D193-R478 WeakPolarHBondContact OD2-CB 3.3Å; D193-R478 WeakPolarHBondContact OD2-CG 3.35Å; D193-R478 PolarHBondContact OD2-N 3.33Å |
| 194 | G | 78.1 | Confident | 78.7 | Confident | 91 Ų | 91 | 46.1 Ų | 46.1 | 94% | 0.938 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.2 | 2.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | V192 | V192-G194 PolarHBondContact O-N 3.25Š|
| 195 | K | 78.8 | Confident | 79 | Confident | 90 Ų | 90 | 41.5 Ų | 41.5 | 39% | 0.391 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -122.8 | 153 | 176.3 | -67.4 | -179.8 | -177.3 | 175.3 | 0 | 111.1 | V192 D193 L396 | V192-K195 HydrophobicContact CB-CB 4.45Å; V192-K195 PolarHBondContact O-N 2.69Å; D193-K195 VanDerWaalsContact C-N 3.28Å; D193-K195 PolarHBondContact O-N 3.09Å; K195-L396 PolarHBondContact NZ-O 3.39Å |
| 196 | P | 77.3 | Confident | 79.4 | Confident | 115 Ų | 115 | 43.2 Ų | 43.2 | 75% | 0.747 | 25% | 0.252 | S | S | * | . | trans | -61.1 | 148 | 171.6 | 27.2 | -34.3 | 0 | 0 | 0 | 110.1 | ||||
| 197 | A | 75.8 | Confident | 79.7 | Confident | 46 Ų | 46 | 43.6 Ų | 43.6 | 38% | 0.38 | 26% | 0.257 | S | S | . | . | trans | -66.9 | 140.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | K189 C190 K191 | K189-A197 HydrophobicContact CG-CB 4.13Å; C190-A197 CarbonylContact O-C 3.57Å; C190-A197 VanDerWaalsContact O-CA 3.24Å; C190-A197 WeakPolarHBondContact O-CA 3.23Å; K191-A197 HydrophobicContact CB-CB 4.08Å; K191-A197 HydrophobicContact CG-CB 4.34Å | ||
| 198 | Y | 73.9 | Confident | 79.7 | Confident | 59 Ų | 59 | 44.8 Ų | 44.8 | 23% | 0.231 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 153.2 | 174.1 | 60.3 | -86.9 | 0 | 0 | 0 | 110.1 | K189 C190 V192 A200 L204 A395 | K189-Y198 WeakPolarHBondContact CA-O 3.48Å; C190-Y198 HydrophobicContact CB-CD1 4.18Å; C190-Y198 HydrophobicContact CB-CD2 3.97Å; C190-Y198 HydrophobicContact CB-CE1 3.73Å; C190-Y198 HydrophobicContact CB-CE2 3.49Å; C190-Y198 VanDerWaalsContact CB-CE2 3.49Å; C190-Y198 HydrophobicContact CB-CG 4.29Å; C190-Y198 PolarHBondContact N-O 2.78Å; C190-Y198 WeakPolarHBondContact O-CD1 3.41Å; C190-Y198 PolarHBondContact O-N 3.43Å; V192-Y198 HydrophobicContact CG2-CE1 4.13Å; Y198-A200 HydrophobicContact CE2-CB 4.5Å; Y198-L204 WeakPolarHBondContact OH-CD1 3.29Å; Y198-A395 HydrophobicContact CE1-CB 4.34Å |
| 199 | L | 75.4 | Confident | 79.6 | Confident | 31 Ų | 31 | 44.6 Ų | 44.6 | 16% | 0.162 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 129.6 | 175.2 | -77.3 | 173.4 | 0 | 0 | 0 | 109.1 | V137 A187 V188 K189 V484 | V137-L199 HydrophobicContact CB-CB 4.17Å; V137-L199 HydrophobicContact CG1-CB 4.16Å; V137-L199 VanDerWaalsContact O-CD1 3.27Å; V137-L199 WeakPolarHBondContact O-CD1 3.39Å; A187-L199 HydrophobicContact CB-CD2 4.29Å; V188-L199 CarbonylContact O-C 3.58Å; V188-L199 WeakPolarHBondContact O-CA 3.31Å; K189-L199 HydrophobicContact CB-CD2 3.71Å; K189-L199 HydrophobicContact CG-CD2 4.29Å; L199-V484 HydrophobicContact CD2-CB 4.4Å; L199-V484 HydrophobicContact CD2-CG2 4.44Å |
| 200 | A | 77.5 | Confident | 79.1 | Confident | 6 Ų | 6 | 40.1 Ų | 40.1 | 5% | 0.05 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 130.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | V188 Y198 | V188-A200 PolarHBondContact N-O 3.36Å; V188-A200 PolarHBondContact O-N 3.47Å; Y198-A200 HydrophobicContact CE2-CB 4.5Å |
| 201 | I | 79 | Confident | 78.4 | Confident | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -84.4 | -38.7 | -179.5 | -66.5 | 178.3 | 0 | 0 | 0 | 111.8 | I133 V137 L144 F146 V155 A187 N316 L318 | I133-I201 HydrophobicContact CG2-CD1 3.92Å; V137-I201 HydrophobicContact CB-CD1 4.21Å; V137-I201 HydrophobicContact CB-CG1 4.25Å; V137-I201 HydrophobicContact CG1-CD1 3.85Å; V137-I201 HydrophobicContact CG1-CG1 3.83Å; V137-I201 HydrophobicContact CG2-CD1 3.31Å; V137-I201 HydrophobicContact CG2-CG1 3.73Å; L144-I201 HydrophobicContact CD2-CD1 3.5Å; F146-I201 HydrophobicContact CE1-CD1 4.47Å; F146-I201 HydrophobicContact CZ-CD1 3.79Å; V155-I201 HydrophobicContact CG1-CG2 3.8Å; V155-I201 HydrophobicContact CG2-CB 4.29Å; V155-I201 HydrophobicContact CG2-CG2 3.86Å; A187-I201 HydrophobicContact CB-CG1 4.42Å; I201-N316 VanDerWaalsContact O-CB 3.26Å; I201-N316 WeakPolarHBondContact O-CB 3.47Å; I201-N316 PolarHBondContact O-ND2 3.47Å; I201-L318 HydrophobicContact CG2-CD1 4.05Å; I201-L318 HydrophobicContact CG2-CD2 3.97Å |
| 202 | S | 78.1 | Confident | 77.3 | Confident | 18 Ų | 18 | 37.1 Ų | 37.1 | 13% | 0.126 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -93.8 | -86.6 | -163.1 | -166.2 | 0 | 0 | 0 | 0 | 112.7 | D130 H154 N316 | D130-S202 WeakPolarHBondContact OD2-CB 3.22Å; D130-S202 PolarHBondContact OD2-OG 2.9Å; H154-S202 WeakPolarHBondContact CB-OG 3.47Å; S202-N316 PolarHBondContact O-N 2.87Å |
| 203 | C | 78.7 | Confident | 76.2 | Confident | 27 Ų | 27 | 37.4 Ų | 37.4 | 18% | 0.182 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 154.7 | -171.4 | 57.8 | 0 | 0 | 0 | 0 | 110.5 | A314 F315 Y353 | C203-A314 CarbonylContact C-O 3.53Å; C203-A314 WeakPolarHBondContact CA-O 3.31Å; C203-F315 HydrophobicContact CB-CD1 3.56Å; C203-F315 HydrophobicContact CB-CE1 3.84Å; C203-F315 HydrophobicContact CB-CG 4.36Å; C203-Y353 VanDerWaalsContact SG-CE2 3.52Å |
| 204 | L | 81.9 | Confident | 75.2 | Confident | 20 Ų | 20 | 39.4 Ų | 39.4 | 11% | 0.105 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 126.1 | 165.3 | -172.8 | 80.9 | 0 | 0 | 0 | 107.3 | Y198 S313 A314 C394 M481 | Y198-L204 WeakPolarHBondContact OH-CD1 3.29Å; L204-S313 CarbonylContact O-C 3.58Å; L204-S313 WeakPolarHBondContact O-CA 3.5Å; L204-A314 HydrophobicContact CB-CB 4.39Å; L204-A314 PolarHBondContact N-O 3.06Å; L204-A314 PolarHBondContact O-N 2.89Å; L204-C394 HydrophobicContact CD1-CB 4.47Å; L204-C394 VanDerWaalsContact CD1-SG 3.52Å; L204-M481 HydrophobicContact CD2-CE 3.25Å; L204-M481 HydrophobicContact CD2-SD 3.82Å |
| 205 | H | 82.9 | Confident | 74.4 | Confident | 24 Ų | 24 | 37.5 Ų | 37.5 | 11% | 0.111 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 123.6 | -175.3 | -176.4 | 73.5 | 0 | 0 | 0 | 111.5 | I209 E311 I312 S313 Y353 C394 | H205-I209 PolarHBondContact NE2-O 3.42Å; H205-E311 VanDerWaalsContact CE1-CD 3.47Å; H205-E311 VanDerWaalsContact CE1-CG 3.47Å; H205-E311 WeakPolarHBondContact CE1-CG 3.46Å; H205-E311 IonicContact CE1-OE1 3.3Å; H205-E311 PolarHBondContact CE1-OE1 3.25Å; H205-E311 IonicContact NE2-OE1 3.64Å; H205-E311 PolarHBondContact NE2-OE1 2.71Å; H205-I312 CarbonylContact C-O 3.52Å; H205-S313 PolarHBondContact CE1-OG 3.3Å; H205-S313 VanDerWaalsContact CE1-OG 3.29Å; H205-S313 PolarHBondContact ND1-OG 2.86Å; H205-Y353 HydrophobicContact CB-CD1 3.73Å; H205-Y353 HydrophobicContact CB-CE1 3.9Å; H205-Y353 AromaticContact CG-CD1 3.57Å; H205-Y353 AromaticContact ND1-CD1 3.77Å; H205-C394 PolarHBondContact N-SG 2.92Å; H205-C394 VanDerWaalsContact N-SG 3.38Å; H205-C394 PolarHBondContact O-SG 2.87Å |
| 206 | V | 83.2 | Confident | 73.5 | Confident | 40 Ų | 40 | 34.5 Ų | 34.5 | 24% | 0.242 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 107.5 | 176 | -177.9 | 0 | 0 | 0 | 0 | 107.4 | F242 E311 I312 | V206-F242 HydrophobicContact CG1-CE2 4.41Å; V206-E311 CarbonylContact O-C 3.59Å; V206-E311 VanDerWaalsContact O-CA 3.28Å; V206-E311 WeakPolarHBondContact O-CA 3.04Å; V206-I312 HydrophobicContact CB-CB 4.36Å; V206-I312 PolarHBondContact N-O 3.38Å; V206-I312 PolarHBondContact O-N 2.85Å |
| 207 | G | 81.8 | Confident | 72.6 | Confident | 17 Ų | 17 | 34 Ų | 34 | 18% | 0.175 | 20% | 0.195 | C | C | . | . | S | Bend | trans | 175.7 | 165.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | I209 | G207-I209 VanDerWaalsContact C-N 3.35Š|
| 208 | D | 79.1 | Confident | 72.2 | Confident | 25 Ų | 25 | 33.3 Ų | 33.3 | 13% | 0.134 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -80.1 | -16.1 | 178.7 | -88 | -35.8 | 0 | 0 | 0 | 113.7 | K232 Y339 | D208-K232 PolarHBondContact O-NZ 3.04Å; D208-K232 WeakPolarHBondContact OD1-CE 3.36Å; D208-K232 IonicContact OD1-NZ 2.74Å; D208-K232 PolarHBondContact OD1-NZ 2.83Å; D208-Y339 HydrophobicContact CB-CE2 3.82Å; D208-Y339 PolarHBondContact O-OH 3.25Å |
| 209 | I | 77.7 | Confident | 72 | Confident | 4 Ų | 4 | 37.5 Ų | 37.5 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -101.1 | 116.6 | -178 | -55.6 | 178.5 | 0 | 0 | 0 | 108.2 | H205 G207 Y229 M334 Y339 E342 A343 | H205-I209 PolarHBondContact NE2-O 3.42Å; G207-I209 VanDerWaalsContact C-N 3.35Å; I209-Y229 HydrophobicContact CG2-CE1 4.41Å; I209-M334 HydrophobicContact CD1-SD 4.12Å; I209-Y339 HydrophobicContact CD1-CD2 3.78Å; I209-Y339 HydrophobicContact CD1-CE2 3.86Å; I209-Y339 HydrophobicContact CG1-CD2 3.74Å; I209-Y339 HydrophobicContact CG1-CE2 3.26Å; I209-E342 HydrophobicContact CD1-CB 4.26Å; I209-E342 HydrophobicContact CD1-CG 3.87Å; I209-A343 HydrophobicContact CD1-CB 4.37Å; I209-A343 HydrophobicContact CG1-CB 4.41Å; I209-A343 HydrophobicContact CG2-CB 4.05Å |
| 210 | G | 72.5 | Confident | 72.3 | Confident | 11 Ų | 11 | 41.3 Ų | 41.3 | 11% | 0.113 | 24% | 0.239 | C | C | . | . | S | Bend | trans | 131.1 | -12.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114 | T212 Y229 | G210-T212 PolarHBondContact O-N 2.93Å; G210-Y229 PolarHBondContact N-OH 2.98Å |
| 211 | E | 67.2 | Low | 72.3 | Confident | 52 Ų | 52 | 42.7 Ų | 42.7 | 24% | 0.243 | 24% | 0.243 | C | C | . | . | trans | -69.7 | 8.9 | -178.8 | -63.6 | -176.8 | 157.5 | 0 | 0 | 115 | G213 K232 S389 | E211-G213 PolarHBondContact O-N 3.4Å; E211-K232 IonicContact OE1-NZ 3.41Å; E211-K232 IonicContact OE2-NZ 2.97Å; E211-K232 PolarHBondContact OE2-NZ 3.06Å; E211-S389 PolarHBondContact O-OG 3.4Å | ||
| 212 | T | 61.5 | Low | 72.4 | Confident | 10 Ų | 10 | 47.6 Ų | 47.6 | 6% | 0.061 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -80.4 | 23.2 | -175 | 49.8 | 0 | 0 | 0 | 0 | 114.7 | G210 D214 L215 E225 F228 Y229 | G210-T212 PolarHBondContact O-N 2.93Å; T212-D214 PolarHBondContact O-N 2.89Å; T212-D214 VanDerWaalsContact O-N 3.15Å; T212-L215 HydrophobicContact CG2-CD1 4.38Å; T212-L215 PolarHBondContact O-N 2.83Å; T212-E225 HydrophobicContact CG2-CB 4.34Å; T212-E225 HydrophobicContact CG2-CG 4.14Å; T212-F228 HydrophobicContact CG2-CD1 3.6Å; T212-F228 HydrophobicContact CG2-CE1 4.02Å; T212-F228 HydrophobicContact CG2-CG 4.34Å; T212-Y229 HydrophobicContact CG2-CD2 4.27Å; T212-Y229 HydrophobicContact CG2-CE1 4.27Å; T212-Y229 HydrophobicContact CG2-CE2 3.46Å; T212-Y229 VanDerWaalsContact CG2-CE2 3.46Å; T212-Y229 VanDerWaalsContact CG2-CZ 3.46Å; T212-Y229 WeakPolarHBondContact CG2-OH 3.09Å |
| 213 | G | 60.1 | Low | 72.8 | Confident | 13 Ų | 13 | 51 Ų | 51 | 13% | 0.134 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -48.5 | -44.2 | -178 | 0 | 0 | 0 | 0 | 0 | 114.7 | E211 L215 K216 | E211-G213 PolarHBondContact O-N 3.4Å; G213-L215 VanDerWaalsContact C-N 3.32Å; G213-L215 PolarHBondContact O-N 2.78Å; G213-K216 WeakPolarHBondContact O-CD 3.43Å; G213-K216 VanDerWaalsContact O-CG 3.31Å; G213-K216 WeakPolarHBondContact O-CG 3.13Å |
| 214 | D | 59 | Low | 73.2 | Confident | 126 Ų | 126 | 54.5 Ų | 54.5 | 67% | 0.674 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -79.7 | -14.9 | -169.3 | -55.1 | -37.6 | 0 | 0 | 0 | 113.1 | T212 S389 | T212-D214 PolarHBondContact O-N 2.89Å; T212-D214 VanDerWaalsContact O-N 3.15Å; D214-S389 VanDerWaalsContact CG-OG 3.31Å; D214-S389 VanDerWaalsContact OD2-CB 3.3Å; D214-S389 WeakPolarHBondContact OD2-CB 3.31Å; D214-S389 PolarHBondContact OD2-OG 3.46Å |
| 215 | L | 61.4 | Low | 73.3 | Confident | 51 Ų | 51 | 54 Ų | 54 | 27% | 0.267 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -87.7 | -3 | -177.1 | -68.9 | 169.6 | 0 | 0 | 0 | 113.9 | T212 G213 N217 K224 E225 F228 | T212-L215 HydrophobicContact CG2-CD1 4.38Å; T212-L215 PolarHBondContact O-N 2.83Å; G213-L215 VanDerWaalsContact C-N 3.32Å; G213-L215 PolarHBondContact O-N 2.78Å; L215-N217 VanDerWaalsContact C-N 3.3Å; L215-N217 PolarHBondContact O-N 3.36Å; L215-N217 VanDerWaalsContact O-N 3.15Å; L215-K224 HydrophobicContact CD2-CB 4.23Å; L215-K224 HydrophobicContact CD2-CD 4.35Å; L215-E225 HydrophobicContact CB-CG 4.25Å; L215-E225 HydrophobicContact CD1-CG 4.48Å; L215-F228 HydrophobicContact CD1-CB 3.66Å; L215-F228 HydrophobicContact CD1-CD2 4.25Å; L215-F228 HydrophobicContact CD1-CG 3.98Å |
| 216 | K | 58.9 | Low | 73.6 | Confident | 27 Ų | 27 | 57.5 Ų | 57.5 | 12% | 0.117 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -21.8 | -163.5 | -74.4 | 175 | -178.1 | 167 | 0 | 116.2 | D152 G213 V391 | D152-K216 VanDerWaalsContact CG-CE 3.46Å; D152-K216 WeakPolarHBondContact OD1-CE 3.29Å; D152-K216 IonicContact OD1-NZ 2.78Å; D152-K216 PolarHBondContact OD1-NZ 2.8Å; D152-K216 VanDerWaalsContact OD1-NZ 3.16Å; D152-K216 WeakPolarHBondContact OD2-CE 3.33Å; D152-K216 IonicContact OD2-NZ 3.22Å; D152-K216 PolarHBondContact OD2-NZ 2.93Å; G213-K216 WeakPolarHBondContact O-CD 3.43Å; G213-K216 VanDerWaalsContact O-CG 3.31Å; G213-K216 WeakPolarHBondContact O-CG 3.13Å; K216-V391 VanDerWaalsContact NZ-CG2 3.27Å |
| 217 | N | 59.3 | Low | 73.9 | Confident | 105 Ų | 105 | 64 Ų | 64 | 56% | 0.561 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | 0.5 | -171.9 | -71 | -22.9 | 0 | 0 | 0 | 115.3 | L215 | L215-N217 VanDerWaalsContact C-N 3.3Å; L215-N217 PolarHBondContact O-N 3.36Å; L215-N217 VanDerWaalsContact O-N 3.15Å |
| 218 | S | 66.8 | Low | 74.1 | Confident | 31 Ų | 31 | 66.6 Ų | 66.6 | 22% | 0.217 | 33% | 0.332 | C | S | . | . | trans | -86.4 | 139.4 | -175.7 | 179.5 | 0 | 0 | 0 | 0 | 113.3 | L220 R221 K224 | S218-L220 PolarHBondContact O-N 3.36Å; S218-L220 PolarHBondContact OG-N 2.81Å; S218-R221 VanDerWaalsContact O-CB 3.23Å; S218-R221 WeakPolarHBondContact O-CB 3.43Å; S218-R221 PolarHBondContact O-N 3.34Å; S218-K224 WeakPolarHBondContact OG-CD 3.25Å; S218-K224 VanDerWaalsContact OG-CE 3.27Å; S218-K224 WeakPolarHBondContact OG-CE 3.39Å; S218-K224 PolarHBondContact OG-NZ 2.97Å; S218-K224 VanDerWaalsContact OG-NZ 3.13Å | ||
| 219 | V | 71.1 | Confident | 74.6 | Confident | 148 Ų | 148 | 65.6 Ų | 65.6 | 90% | 0.897 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -36.5 | 172.2 | 176.5 | 0 | 0 | 0 | 0 | 111.2 | R221 | V219-R221 VanDerWaalsContact C-N 3.27Å; V219-R221 PolarHBondContact O-N 3.12Å |
| 220 | L | 80.5 | Confident | 75.2 | Confident | 110 Ų | 110 | 67.6 Ų | 67.6 | 58% | 0.576 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | 32.7 | 175.3 | -63 | 176.5 | 0 | 0 | 0 | 112.8 | S218 K222 V223 K224 | S218-L220 PolarHBondContact O-N 3.36Å; S218-L220 PolarHBondContact OG-N 2.81Å; L220-K222 PolarHBondContact O-N 3.46Å; L220-V223 HydrophobicContact CB-CB 4.37Å; L220-V223 PolarHBondContact O-N 3Å; L220-V223 VanDerWaalsContact O-N 3.1Å; L220-K224 PolarHBondContact O-N 2.8Å |
| 221 | R | 76.8 | Confident | 76 | Confident | 36 Ų | 36 | 75.3 Ų | 75.3 | 14% | 0.136 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -49.6 | -57 | -174.8 | -173 | -171.7 | 77.5 | -159.3 | 8 | 112.2 | Y151 S218 V219 V223 K224 E225 | Y151-R221 VanDerWaalsContact CE1-NH1 3.34Å; S218-R221 VanDerWaalsContact O-CB 3.23Å; S218-R221 WeakPolarHBondContact O-CB 3.43Å; S218-R221 PolarHBondContact O-N 3.34Å; V219-R221 VanDerWaalsContact C-N 3.27Å; V219-R221 PolarHBondContact O-N 3.12Å; R221-V223 PolarHBondContact O-N 3.17Å; R221-V223 VanDerWaalsContact O-N 3.15Å; R221-K224 CarbonylContact O-C 3.55Å; R221-K224 PolarHBondContact O-N 2.74Å; R221-E225 WeakPolarHBondContact CD-OE1 3.13Å; R221-E225 VanDerWaalsContact CG-CD 3.42Å; R221-E225 HydrophobicContact CG-CG 3.99Å; R221-E225 VanDerWaalsContact CG-OE1 3.25Å; R221-E225 WeakPolarHBondContact CG-OE1 3.36Å; R221-E225 IonicContact NE-OE1 2.68Å; R221-E225 PolarHBondContact NE-OE1 3.35Å; R221-E225 IonicContact NE-OE2 3.07Å; R221-E225 PolarHBondContact NE-OE2 3.34Å; R221-E225 WeakPolarHBondContact O-CB 3.21Å; R221-E225 WeakPolarHBondContact O-CG 3.27Å; R221-E225 PolarHBondContact O-N 2.74Å |
| 222 | K | 82.5 | Confident | 76.9 | Confident | 104 Ų | 104 | 73.5 Ų | 73.5 | 45% | 0.452 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -56.2 | -37 | -177.9 | -67.7 | -170.8 | 176.5 | -170.6 | 0 | 112.2 | L220 R226 V347 | L220-K222 PolarHBondContact O-N 3.46Å; K222-R226 VanDerWaalsContact O-CB 3.29Å; K222-R226 WeakPolarHBondContact O-CB 3.37Å; K222-R226 WeakPolarHBondContact O-CG 3.47Å; K222-R226 PolarHBondContact O-N 3.05Å; K222-V347 HydrophobicContact CB-CG1 4.27Å; K222-V347 HydrophobicContact CG-CG1 4.29Å |
| 223 | V | 85.7 | Confident | 78.1 | Confident | 90 Ų | 90 | 73.5 Ų | 73.5 | 55% | 0.545 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -70.7 | -45.5 | 177.7 | -179.3 | 0 | 0 | 0 | 0 | 110.6 | L220 R221 R226 W227 | L220-V223 HydrophobicContact CB-CB 4.37Å; L220-V223 PolarHBondContact O-N 3Å; L220-V223 VanDerWaalsContact O-N 3.1Å; R221-V223 PolarHBondContact O-N 3.17Å; R221-V223 VanDerWaalsContact O-N 3.15Å; V223-R226 PolarHBondContact O-N 3.25Å; V223-W227 VanDerWaalsContact O-CB 3.31Å; V223-W227 WeakPolarHBondContact O-CB 3.46Å; V223-W227 PolarHBondContact O-N 2.86Å |
| 224 | K | 86.6 | Confident | 79.5 | Confident | 101 Ų | 101 | 78.6 Ų | 78.6 | 44% | 0.439 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.3 | -41.6 | 177.3 | -72.1 | -170.9 | 178.4 | 173.9 | 0 | 112.5 | L215 S218 L220 R221 W227 F228 | L215-K224 HydrophobicContact CD2-CB 4.23Å; L215-K224 HydrophobicContact CD2-CD 4.35Å; S218-K224 WeakPolarHBondContact OG-CD 3.25Å; S218-K224 VanDerWaalsContact OG-CE 3.27Å; S218-K224 WeakPolarHBondContact OG-CE 3.39Å; S218-K224 PolarHBondContact OG-NZ 2.97Å; S218-K224 VanDerWaalsContact OG-NZ 3.13Å; L220-K224 PolarHBondContact O-N 2.8Å; R221-K224 CarbonylContact O-C 3.55Å; R221-K224 PolarHBondContact O-N 2.74Å; K224-W227 PolarHBondContact O-N 3.02Å; K224-F228 WeakPolarHBondContact O-CB 3.43Å; K224-F228 PolarHBondContact O-N 2.81Å |
| 225 | E | 85.1 | Confident | 80.7 | Confident | 9 Ų | 9 | 77.1 Ų | 77.1 | 4% | 0.042 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.9 | -47.3 | 175.3 | -71.7 | 172.8 | 162.2 | 0 | 0 | 110.6 | T212 L215 R221 W227 F228 Y229 V347 | T212-E225 HydrophobicContact CG2-CB 4.34Å; T212-E225 HydrophobicContact CG2-CG 4.14Å; L215-E225 HydrophobicContact CB-CG 4.25Å; L215-E225 HydrophobicContact CD1-CG 4.48Å; R221-E225 WeakPolarHBondContact CD-OE1 3.13Å; R221-E225 VanDerWaalsContact CG-CD 3.42Å; R221-E225 HydrophobicContact CG-CG 3.99Å; R221-E225 VanDerWaalsContact CG-OE1 3.25Å; R221-E225 WeakPolarHBondContact CG-OE1 3.36Å; R221-E225 IonicContact NE-OE1 2.68Å; R221-E225 PolarHBondContact NE-OE1 3.35Å; R221-E225 IonicContact NE-OE2 3.07Å; R221-E225 PolarHBondContact NE-OE2 3.34Å; R221-E225 WeakPolarHBondContact O-CB 3.21Å; R221-E225 WeakPolarHBondContact O-CG 3.27Å; R221-E225 PolarHBondContact O-N 2.74Å; E225-W227 VanDerWaalsContact C-N 3.31Å; E225-W227 PolarHBondContact O-N 3.39Å; E225-F228 WeakPolarHBondContact O-CB 3.41Å; E225-F228 PolarHBondContact O-N 3.22Å; E225-Y229 WeakPolarHBondContact O-CD2 3.32Å; E225-Y229 PolarHBondContact O-N 3.41Å; E225-V347 HydrophobicContact CB-CG1 4.01Å; E225-V347 HydrophobicContact CB-CG2 3.84Å; E225-V347 WeakPolarHBondContact OE2-CG1 3.12Å |
| 226 | R | 88.7 | Confident | 81.1 | Confident | 98 Ų | 98 | 78.5 Ų | 78.5 | 37% | 0.37 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.2 | -42.1 | 175.2 | -75.2 | 178.8 | 179.6 | -173.5 | -0.7 | 112.2 | K222 V223 Y229 L230 W344 V347 S348 | K222-R226 VanDerWaalsContact O-CB 3.29Å; K222-R226 WeakPolarHBondContact O-CB 3.37Å; K222-R226 WeakPolarHBondContact O-CG 3.47Å; K222-R226 PolarHBondContact O-N 3.05Å; V223-R226 PolarHBondContact O-N 3.25Å; R226-Y229 PolarHBondContact O-N 2.86Å; R226-L230 WeakPolarHBondContact O-CB 3.45Å; R226-L230 PolarHBondContact O-N 3.16Å; R226-W344 VanDerWaalsContact CA-NE1 3.31Å; R226-W344 HydrophobicContact CB-CD2 4.44Å; R226-W344 HydrophobicContact CB-CG 4.42Å; R226-W344 HydrophobicContact CB-CZ2 4.35Å; R226-W344 HydrophobicContact CG-CD2 4.15Å; R226-W344 HydrophobicContact CG-CG 3.83Å; R226-W344 PolarHBondContact O-NE1 3.4Å; R226-V347 HydrophobicContact CG-CG1 4.29Å; R226-S348 PolarHBondContact NH2-OG 3.35Å |
| 227 | W | 88.6 | Confident | 81.1 | Confident | 176 Ų | 176 | 88.2 Ų | 88.2 | 67% | 0.667 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -65.6 | -39.3 | 176.6 | -171 | -93.7 | 0 | 0 | 0 | 112.4 | V223 K224 E225 L230 R231 | V223-W227 VanDerWaalsContact O-CB 3.31Å; V223-W227 WeakPolarHBondContact O-CB 3.46Å; V223-W227 PolarHBondContact O-N 2.86Å; K224-W227 PolarHBondContact O-N 3.02Å; E225-W227 VanDerWaalsContact C-N 3.31Å; E225-W227 PolarHBondContact O-N 3.39Å; W227-L230 HydrophobicContact CE3-CD2 4.18Å; W227-L230 HydrophobicContact CZ3-CD2 4.24Å; W227-L230 PolarHBondContact O-N 3.15Å; W227-R231 WeakPolarHBondContact O-CB 2.83Å; W227-R231 PolarHBondContact O-N 3Å |
| 228 | F | 87.9 | Confident | 81.1 | Confident | 72 Ų | 72 | 85.4 Ų | 85.4 | 32% | 0.316 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -59.9 | -50.3 | 174.7 | 174.1 | -94.1 | 0 | 0 | 0 | 111 | T212 L215 K224 E225 L230 R231 K232 | T212-F228 HydrophobicContact CG2-CD1 3.6Å; T212-F228 HydrophobicContact CG2-CE1 4.02Å; T212-F228 HydrophobicContact CG2-CG 4.34Å; L215-F228 HydrophobicContact CD1-CB 3.66Å; L215-F228 HydrophobicContact CD1-CD2 4.25Å; L215-F228 HydrophobicContact CD1-CG 3.98Å; K224-F228 WeakPolarHBondContact O-CB 3.43Å; K224-F228 PolarHBondContact O-N 2.81Å; E225-F228 WeakPolarHBondContact O-CB 3.41Å; E225-F228 PolarHBondContact O-N 3.22Å; F228-L230 VanDerWaalsContact C-N 3.32Å; F228-L230 PolarHBondContact O-N 3Å; F228-R231 PolarHBondContact O-N 3.16Å; F228-K232 HydrophobicContact CE1-CD 4.26Å; F228-K232 HydrophobicContact CZ-CD 4.48Å; F228-K232 WeakPolarHBondContact O-CB 3.37Å; F228-K232 PolarHBondContact O-N 3.21Å |
| 229 | Y | 88.3 | Confident | 80.9 | Confident | 3 Ų | 3 | 84.7 Ų | 84.7 | 1% | 0.012 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -65.4 | -35 | 177.1 | -71.2 | -60.3 | 0 | 0 | 0 | 113 | I209 G210 T212 E225 R226 K232 A233 Y339 A343 V347 | I209-Y229 HydrophobicContact CG2-CE1 4.41Å; G210-Y229 PolarHBondContact N-OH 2.98Å; T212-Y229 HydrophobicContact CG2-CD2 4.27Å; T212-Y229 HydrophobicContact CG2-CE1 4.27Å; T212-Y229 HydrophobicContact CG2-CE2 3.46Å; T212-Y229 VanDerWaalsContact CG2-CE2 3.46Å; T212-Y229 VanDerWaalsContact CG2-CZ 3.46Å; T212-Y229 WeakPolarHBondContact CG2-OH 3.09Å; E225-Y229 WeakPolarHBondContact O-CD2 3.32Å; E225-Y229 PolarHBondContact O-N 3.41Å; R226-Y229 PolarHBondContact O-N 2.86Å; Y229-K232 PolarHBondContact O-N 2.67Å; Y229-A233 VanDerWaalsContact O-CB 3.31Å; Y229-A233 WeakPolarHBondContact O-CB 3.42Å; Y229-A233 PolarHBondContact O-N 2.78Å; Y229-Y339 HydrophobicContact CD1-CE1 4.19Å; Y229-Y339 WeakPolarHBondContact CD1-OH 3.45Å; Y229-A343 HydrophobicContact CD1-CB 3.65Å; Y229-A343 HydrophobicContact CD2-CB 3.76Å; Y229-A343 HydrophobicContact CE1-CB 4.04Å; Y229-A343 HydrophobicContact CE2-CB 4.14Å; Y229-A343 HydrophobicContact CG-CB 3.5Å; Y229-A343 VanDerWaalsContact CG-CB 3.5Å; Y229-V347 HydrophobicContact CD2-CG2 3.95Å; Y229-V347 HydrophobicContact CE2-CG2 3.57Å |
| 230 | L | 91.3 | Very high | 80.9 | Confident | 46 Ų | 46 | 83.4 Ų | 83.4 | 24% | 0.241 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -61.5 | -48.3 | 172.3 | 179.5 | 63.8 | 0 | 0 | 0 | 111.1 | R226 W227 F228 K232 A233 I234 L340 W344 | R226-L230 WeakPolarHBondContact O-CB 3.45Å; R226-L230 PolarHBondContact O-N 3.16Å; W227-L230 HydrophobicContact CE3-CD2 4.18Å; W227-L230 HydrophobicContact CZ3-CD2 4.24Å; W227-L230 PolarHBondContact O-N 3.15Å; F228-L230 VanDerWaalsContact C-N 3.32Å; F228-L230 PolarHBondContact O-N 3Å; L230-K232 VanDerWaalsContact C-N 3.33Å; L230-K232 PolarHBondContact O-N 3.41Å; L230-A233 PolarHBondContact O-N 2.69Å; L230-I234 HydrophobicContact CD1-CD1 4.14Å; L230-I234 HydrophobicContact CG-CD1 4.02Å; L230-I234 VanDerWaalsContact O-CG1 3.27Å; L230-I234 WeakPolarHBondContact O-CG1 3.49Å; L230-I234 PolarHBondContact O-N 2.55Å; L230-L340 HydrophobicContact CB-CD1 4.09Å; L230-L340 HydrophobicContact CD1-CD1 4.34Å; L230-L340 HydrophobicContact CD1-CD2 3.77Å; L230-W344 HydrophobicContact CB-CZ2 4.37Å |
| 231 | R | 88.6 | Confident | 80.9 | Confident | 173 Ų | 173 | 80.2 Ų | 80.2 | 65% | 0.653 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -60.6 | -44.7 | 176.4 | -172.8 | 178.4 | -179.8 | 171.6 | 0.7 | 110.8 | W227 F228 I234 T235 | W227-R231 WeakPolarHBondContact O-CB 2.83Å; W227-R231 PolarHBondContact O-N 3Å; F228-R231 PolarHBondContact O-N 3.16Å; R231-I234 PolarHBondContact O-N 2.87Å; R231-T235 HydrophobicContact CG-CG2 4.34Å; R231-T235 WeakPolarHBondContact O-CG2 3.41Å; R231-T235 PolarHBondContact O-N 2.91Å; R231-T235 PolarHBondContact O-OG1 3.18Å |
| 232 | K | 86.3 | Confident | 81.2 | Confident | 14 Ų | 14 | 80.7 Ų | 80.7 | 6% | 0.061 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.4 | -46 | 177.2 | -164.3 | 166.6 | 171.6 | -178.5 | 0 | 110.7 | D208 E211 F228 Y229 L230 I234 T235 H236 Y339 | D208-K232 PolarHBondContact O-NZ 3.04Å; D208-K232 WeakPolarHBondContact OD1-CE 3.36Å; D208-K232 IonicContact OD1-NZ 2.74Å; D208-K232 PolarHBondContact OD1-NZ 2.83Å; E211-K232 IonicContact OE1-NZ 3.41Å; E211-K232 IonicContact OE2-NZ 2.97Å; E211-K232 PolarHBondContact OE2-NZ 3.06Å; F228-K232 HydrophobicContact CE1-CD 4.26Å; F228-K232 HydrophobicContact CZ-CD 4.48Å; F228-K232 WeakPolarHBondContact O-CB 3.37Å; F228-K232 PolarHBondContact O-N 3.21Å; Y229-K232 PolarHBondContact O-N 2.67Å; L230-K232 VanDerWaalsContact C-N 3.33Å; L230-K232 PolarHBondContact O-N 3.41Å; K232-I234 VanDerWaalsContact C-N 3.32Å; K232-I234 PolarHBondContact O-N 2.76Å; K232-T235 PolarHBondContact O-N 3.4Å; K232-T235 PolarHBondContact O-OG1 3.15Å; K232-H236 VanDerWaalsContact CG-CD2 3.45Å; K232-H236 WeakPolarHBondContact CG-CD2 3.43Å; K232-H236 WeakPolarHBondContact O-CB 2.8Å; K232-H236 PolarHBondContact O-N 3.23Å; K232-Y339 WeakPolarHBondContact CD-OH 3.02Å |
| 233 | A | 87.4 | Confident | 81.4 | Confident | 11 Ų | 11 | 79.6 Ų | 79.6 | 9% | 0.091 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.7 | -35.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y229 L230 K336 Y339 L340 | Y229-A233 VanDerWaalsContact O-CB 3.31Å; Y229-A233 WeakPolarHBondContact O-CB 3.42Å; Y229-A233 PolarHBondContact O-N 2.78Å; L230-A233 PolarHBondContact O-N 2.69Å; A233-K336 WeakPolarHBondContact O-CD 3.27Å; A233-K336 WeakPolarHBondContact O-CE 3.19Å; A233-K336 PolarHBondContact O-NZ 2.93Å; A233-Y339 HydrophobicContact CB-CD1 4.06Å; A233-Y339 HydrophobicContact CB-CE1 4.41Å; A233-L340 HydrophobicContact CB-CB 4.44Å; A233-L340 HydrophobicContact CB-CD1 4.43Å |
| 234 | I | 88.7 | Confident | 81.6 | Confident | 119 Ų | 119 | 75.3 Ų | 75.3 | 61% | 0.61 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -71 | -48.4 | 176.3 | -66.7 | 165.2 | 0 | 0 | 0 | 110.5 | L230 R231 K232 K336 | L230-I234 HydrophobicContact CD1-CD1 4.14Å; L230-I234 HydrophobicContact CG-CD1 4.02Å; L230-I234 VanDerWaalsContact O-CG1 3.27Å; L230-I234 WeakPolarHBondContact O-CG1 3.49Å; L230-I234 PolarHBondContact O-N 2.55Å; R231-I234 PolarHBondContact O-N 2.87Å; K232-I234 VanDerWaalsContact C-N 3.32Å; K232-I234 PolarHBondContact O-N 2.76Å; I234-K336 PolarHBondContact O-NZ 2.71Å |
| 235 | T | 84.7 | Confident | 81.8 | Confident | 95 Ų | 95 | 71.6 Ų | 71.6 | 58% | 0.583 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -79.7 | -36.2 | -173.8 | 57.6 | 0 | 0 | 0 | 0 | 113.8 | R231 K232 | R231-T235 HydrophobicContact CG-CG2 4.34Å; R231-T235 WeakPolarHBondContact O-CG2 3.41Å; R231-T235 PolarHBondContact O-N 2.91Å; R231-T235 PolarHBondContact O-OG1 3.18Å; K232-T235 PolarHBondContact O-N 3.4Å; K232-T235 PolarHBondContact O-OG1 3.15Å |
| 236 | H | 69 | Low | 82.2 | Confident | 80 Ų | 80 | 71.2 Ų | 71.2 | 37% | 0.37 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -76.3 | 132.3 | -179.4 | -86.6 | -103.2 | 0 | 0 | 0 | 110.7 | K232 K336 | K232-H236 VanDerWaalsContact CG-CD2 3.45Å; K232-H236 WeakPolarHBondContact CG-CD2 3.43Å; K232-H236 WeakPolarHBondContact O-CB 2.8Å; K232-H236 PolarHBondContact O-N 3.23Å; H236-K336 WeakPolarHBondContact O-CE 3.5Å; H236-K336 PolarHBondContact O-NZ 3.01Å |
| 237 | R | 59.2 | Low | 82.4 | Confident | 231 Ų | 231 | 67.5 Ų | 67.5 | 87% | 0.872 | 32% | 0.315 | S | S | * | . | trans | -65.3 | 142.8 | 151.6 | -85.2 | -179.5 | 176.8 | 165.7 | -1.2 | 106.8 | ||||
| 238 | S | 59.3 | Low | 82.5 | Confident | 47 Ų | 47 | 60.5 Ų | 60.5 | 33% | 0.329 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -16.9 | 130.8 | 175.4 | -170 | 0 | 0 | 0 | 0 | 113.9 | E240 F333 | S238-E240 PolarHBondContact O-N 2.95Å; S238-E240 VanDerWaalsContact O-N 3.17Å; S238-F333 WeakPolarHBondContact OG-CE2 3.27Å |
| 239 | S | 63.4 | Low | 82.6 | Confident | 15 Ų | 15 | 57.2 Ų | 57.2 | 11% | 0.105 | 27% | 0.274 | C | S | . | . | trans | -42 | 124.3 | 175.3 | 54.1 | 0 | 0 | 0 | 0 | 109.6 | N241 | S239-N241 PolarHBondContact O-N 3.2Å; S239-N241 PolarHBondContact O-OD1 3.11Å | ||
| 240 | E | 70.6 | Confident | 82.6 | Confident | 121 Ų | 121 | 60.1 Ų | 60.1 | 57% | 0.565 | 29% | 0.288 | S | S | * | . | P | Polyproline II helix | trans | -65.5 | 122.6 | 179.4 | -71.6 | -178.2 | 177.4 | 0 | 0 | 108.3 | S238 | S238-E240 PolarHBondContact O-N 2.95Å; S238-E240 VanDerWaalsContact O-N 3.17Å |
| 241 | N | 80.7 | Confident | 82.4 | Confident | 43 Ų | 43 | 59.8 Ų | 59.8 | 23% | 0.23 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 134.5 | 179.1 | -58.8 | -16.4 | 0 | 0 | 0 | 108.8 | S239 E332 N378 | S239-N241 PolarHBondContact O-N 3.2Å; S239-N241 PolarHBondContact O-OD1 3.11Å; N241-E332 PolarHBondContact ND2-O 3.2Å; N241-E332 PolarHBondContact OD1-O 3.28Å; N241-N378 PolarHBondContact O-ND2 3.34Å |
| 242 | F | 82 | Confident | 82.1 | Confident | 47 Ų | 47 | 51.8 Ų | 51.8 | 21% | 0.206 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 119.6 | 171.9 | -52.3 | -66.9 | 0 | 0 | 0 | 109.1 | V206 L244 S308 T309 S310 L374 | V206-F242 HydrophobicContact CG1-CE2 4.41Å; F242-L244 HydrophobicContact CB-CD1 4.02Å; F242-L244 HydrophobicContact CB-CD2 4.31Å; F242-L244 HydrophobicContact CB-CG 3.97Å; F242-S308 VanDerWaalsContact O-CA 3.3Å; F242-S308 WeakPolarHBondContact O-CA 3.37Å; F242-T309 WeakPolarHBondContact CB-O 3.39Å; F242-T309 VanDerWaalsContact CD2-O 3.28Å; F242-T309 WeakPolarHBondContact CD2-O 3.28Å; F242-T309 PolarHBondContact N-O 3.26Å; F242-T309 PolarHBondContact O-N 3.05Å; F242-S310 VanDerWaalsContact CE2-O 3.32Å; F242-S310 WeakPolarHBondContact CE2-O 3.49Å; F242-L374 HydrophobicContact CB-CD2 4.33Å; F242-L374 HydrophobicContact CD1-CD2 4.42Å |
| 243 | H | 86.8 | Confident | 81.6 | Confident | 80 Ų | 80 | 54.7 Ų | 54.7 | 37% | 0.37 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 117.7 | 164.7 | -67.2 | -55.4 | 0 | 0 | 0 | 109.1 | S308 Q375 N378 | H243-S308 PolarHBondContact CE1-OG 3.38Å; H243-S308 PolarHBondContact ND1-OG 3.13Å; H243-Q375 HydrophobicContact CB-CB 4.29Å; H243-Q375 WeakPolarHBondContact O-CB 3.45Å; H243-Q375 PolarHBondContact O-N 3.11Å; H243-Q375 VanDerWaalsContact O-N 3.09Å; H243-N378 PolarHBondContact CD2-ND2 3.31Å; H243-N378 PolarHBondContact N-ND2 3.32Å |
| 244 | L | 90.2 | Very high | 80.7 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 142.6 | -171.4 | -61.7 | 151.4 | 0 | 0 | 0 | 110.1 | F242 V246 V306 L307 T309 I312 I372 L374 | F242-L244 HydrophobicContact CB-CD1 4.02Å; F242-L244 HydrophobicContact CB-CD2 4.31Å; F242-L244 HydrophobicContact CB-CG 3.97Å; L244-V246 HydrophobicContact CB-CG2 4.33Å; L244-V306 WeakPolarHBondContact O-CA 3.39Å; L244-L307 HydrophobicContact CD1-CD1 4.06Å; L244-L307 PolarHBondContact N-O 3.5Å; L244-L307 PolarHBondContact O-N 2.95Å; L244-L307 VanDerWaalsContact O-N 3.11Å; L244-T309 HydrophobicContact CD1-CG2 3.38Å; L244-I312 HydrophobicContact CD1-CD1 3.33Å; L244-I312 HydrophobicContact CD1-CG1 3.86Å; L244-I312 HydrophobicContact CD2-CD1 3.73Å; L244-I312 HydrophobicContact CG-CD1 4.18Å; L244-I372 HydrophobicContact CD2-CG2 3.68Å; L244-L374 HydrophobicContact CD2-CD2 3.3Å; L244-L374 HydrophobicContact CD2-CG 3.86Å; L244-L374 HydrophobicContact CG-CD2 4.39Å |
| 245 | S | 91.3 | Very high | 80.1 | Confident | 22 Ų | 22 | 49.8 Ų | 49.8 | 15% | 0.154 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 115.5 | 163.2 | -163.6 | 0 | 0 | 0 | 0 | 107.8 | E373 | S245-E373 PolarHBondContact N-O 3.28Å; S245-E373 PolarHBondContact O-N 2.71Å |
| 246 | V | 92.4 | Very high | 79.4 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 118.5 | -178.7 | -177.5 | 0 | 0 | 0 | 0 | 107.9 | L244 Y248 E304 L305 L307 F329 L371 I372 | L244-V246 HydrophobicContact CB-CG2 4.33Å; V246-Y248 HydrophobicContact CG1-CD1 4.4Å; V246-E304 CarbonylContact O-C 3.58Å; V246-E304 WeakPolarHBondContact O-CA 3.24Å; V246-L305 HydrophobicContact CB-CB 4.4Å; V246-L305 PolarHBondContact N-O 2.78Å; V246-L305 PolarHBondContact O-N 2.72Å; V246-L307 HydrophobicContact CG2-CD2 4.43Å; V246-F329 HydrophobicContact CG1-CZ 4.23Å; V246-F329 HydrophobicContact CG2-CE1 3.91Å; V246-F329 HydrophobicContact CG2-CZ 3.85Å; V246-L371 CarbonylContact C-O 3.55Å; V246-L371 WeakPolarHBondContact CA-O 3.37Å; V246-I372 HydrophobicContact CG1-CG1 4.49Å; V246-I372 HydrophobicContact CG2-CG1 4.46Å |
| 247 | A | 92.7 | Very high | 79.4 | Confident | 20 Ų | 20 | 54.6 Ų | 54.6 | 17% | 0.165 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 120.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | L303 E304 C370 L371 | A247-L303 CarbonylContact C-O 3.54Å; A247-L303 VanDerWaalsContact CA-O 3.28Å; A247-L303 WeakPolarHBondContact CA-O 3.49Å; A247-E304 HydrophobicContact CB-CG 4.33Å; A247-C370 CarbonylContact O-C 3.59Å; A247-L371 HydrophobicContact CB-CB 4.36Å; A247-L371 PolarHBondContact N-O 3.04Å; A247-L371 PolarHBondContact O-N 2.68Å |
| 248 | Y | 92.5 | Very high | 79.8 | Confident | 30 Ų | 30 | 45.3 Ų | 45.3 | 12% | 0.118 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 159.1 | -176.6 | 72.7 | -83 | 0 | 0 | 0 | 112 | V246 E250 K302 L303 L305 I365 A367 E369 | V246-Y248 HydrophobicContact CG1-CD1 4.4Å; Y248-E250 HydrophobicContact CE2-CG 4.18Å; Y248-K302 WeakPolarHBondContact O-CA 3.24Å; Y248-L303 HydrophobicContact CD1-CB 4.18Å; Y248-L303 HydrophobicContact CE1-CB 3.73Å; Y248-L303 HydrophobicContact CE2-CB 4.21Å; Y248-L303 HydrophobicContact CE2-CD1 3.81Å; Y248-L303 PolarHBondContact N-O 3.3Å; Y248-L303 PolarHBondContact O-N 3.04Å; Y248-L303 WeakPolarHBondContact OH-CD1 3.37Å; Y248-L305 HydrophobicContact CE1-CB 4.43Å; Y248-I365 HydrophobicContact CD1-CD1 4.14Å; Y248-I365 HydrophobicContact CD1-CG2 4.23Å; Y248-I365 HydrophobicContact CD2-CG2 3.45Å; Y248-I365 VanDerWaalsContact CD2-CG2 3.45Å; Y248-I365 HydrophobicContact CE1-CD1 3.82Å; Y248-I365 HydrophobicContact CE1-CG2 4.13Å; Y248-I365 HydrophobicContact CE2-CG2 3.34Å; Y248-I365 HydrophobicContact CG-CG2 3.91Å; Y248-A367 HydrophobicContact CD2-CB 4.29Å; Y248-E369 CarbonylContact C-O 3.57Å; Y248-E369 WeakPolarHBondContact CA-O 3.45Å; Y248-E369 WeakPolarHBondContact CB-O 3.12Å |
| 249 | A | 89.9 | Confident | 79.6 | Confident | 2 Ų | 2 | 48.2 Ų | 48.2 | 2% | 0.017 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 138.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | A367 S368 E369 | A249-A367 CarbonylContact O-C 3.55Å; A249-A367 WeakPolarHBondContact O-CA 2.91Å; A249-S368 PolarHBondContact O-N 3.23Å; A249-S368 PolarHBondContact O-OG 3.24Å; A249-E369 HydrophobicContact CB-CG 3.72Å; A249-E369 PolarHBondContact N-O 2.67Å |
| 250 | E | 88.5 | Confident | 79.2 | Confident | 64 Ų | 64 | 52.3 Ų | 52.3 | 30% | 0.299 | 27% | 0.271 | S | S | . | . | trans | -64.7 | 151.6 | 178.6 | -66.3 | -177.6 | 158.9 | 0 | 0 | 111.2 | Y248 L303 S368 | Y248-E250 HydrophobicContact CE2-CG 4.18Å; E250-L303 HydrophobicContact CG-CD1 3.98Å; E250-S368 PolarHBondContact O-OG 2.85Å | ||
| 251 | P | 85.8 | Confident | 78.2 | Confident | 39 Ų | 39 | 52.8 Ų | 52.8 | 25% | 0.253 | 28% | 0.276 | S | S | . | . | trans | -63.7 | 147.6 | 172.1 | 28.9 | -35.8 | 0 | 0 | 0 | 110.6 | K324 D366 | P251-K324 HydrophobicContact CB-CB 4.27Å; P251-D366 WeakPolarHBondContact CD-O 3.44Å; P251-D366 HydrophobicContact CG-CB 4.02Å | ||
| 252 | C | 82.6 | Confident | 76.7 | Confident | 5 Ų | 5 | 54.9 Ų | 54.9 | 3% | 0.034 | 29% | 0.288 | C | S | . | . | trans | -132.8 | 125.3 | -177.8 | 147.9 | 0 | 0 | 0 | 0 | 107.9 | G254 C255 C258 Y260 C299 | C252-G254 PolarHBondContact O-N 3.14Å; C252-G254 VanDerWaalsContact O-N 3.08Å; C252-G254 PolarHBondContact SG-N 2.89Å; C252-G254 VanDerWaalsContact SG-N 3.42Å; C252-C255 PolarHBondContact SG-N 3.32Å; C252-C255 VanDerWaalsContact SG-N 3.38Å; C252-C258 WeakPolarHBondContact CB-SG 3.3Å; C252-C258 WeakPolarHBondContact SG-CB 3.17Å; C252-C258 CovalentContact SG-SG 2.07Å; C252-C258 PolarHBondContact SG-SG 3.46Å; C252-Y260 PolarHBondContact O-OH 2.96Å; C252-C299 PolarHBondContact SG-SG 2.87Å | ||
| 253 | S | 74.8 | Confident | 75.1 | Confident | 76 Ų | 76 | 55.9 Ų | 55.9 | 53% | 0.531 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -71.2 | 6.1 | 179.1 | 53.9 | 0 | 0 | 0 | 0 | 114 | N291 E322 | S253-N291 PolarHBondContact O-ND2 3.1Å; S253-E322 VanDerWaalsContact CB-OE1 3.23Å; S253-E322 WeakPolarHBondContact CB-OE1 3.37Å |
| 254 | G | 69.8 | Low | 73.3 | Confident | 16 Ų | 16 | 57.6 Ų | 57.6 | 17% | 0.165 | 31% | 0.311 | C | S | . | . | trans | 110.5 | 104.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | C252 | C252-G254 PolarHBondContact O-N 3.14Å; C252-G254 VanDerWaalsContact O-N 3.08Å; C252-G254 PolarHBondContact SG-N 2.89Å; C252-G254 VanDerWaalsContact SG-N 3.42Å | ||
| 255 | C | 75.1 | Confident | 71.3 | Confident | 10 Ų | 10 | 61 Ų | 61 | 7% | 0.068 | 34% | 0.339 | C | S | . | . | trans | -126 | 160.9 | 176.3 | 99.7 | 0 | 0 | 0 | 0 | 109.4 | C252 R257 C258 V294 N296 C299 | C252-C255 PolarHBondContact SG-N 3.32Å; C252-C255 VanDerWaalsContact SG-N 3.38Å; C255-R257 PolarHBondContact O-N 2.98Å; C255-R257 VanDerWaalsContact O-N 3.07Å; C255-R257 VanDerWaalsContact SG-CB 3.57Å; C255-R257 PolarHBondContact SG-N 2.9Å; C255-C258 HydrophobicContact CB-CB 4.46Å; C255-C258 WeakPolarHBondContact O-CB 3.16Å; C255-C258 PolarHBondContact O-N 3.31Å; C255-C258 PolarHBondContact SG-N 3.22Å; C255-V294 WeakPolarHBondContact CA-O 3.46Å; C255-N296 HydrophobicContact CB-CB 3.94Å; C255-C299 HydrophobicContact CB-CB 4.15Å; C255-C299 WeakPolarHBondContact CB-SG 3.26Å; C255-C299 WeakPolarHBondContact SG-CB 3.34Å; C255-C299 CovalentContact SG-SG 2.07Å; C255-C299 PolarHBondContact SG-SG 2.92Å | ||
| 256 | K | 70.6 | Confident | 69.1 | Low | 135 Ų | 135 | 66.7 Ų | 66.7 | 59% | 0.587 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | -32.8 | 175.4 | -71.6 | -171.2 | -177 | 175.2 | 0 | 113.8 | K292 D293 V294 V295 | K256-K292 WeakPolarHBondContact CD-O 3.3Å; K256-K292 WeakPolarHBondContact CE-O 3.49Å; K256-K292 WeakPolarHBondContact CG-O 3.42Å; K256-D293 IonicContact NZ-OD1 3.28Å; K256-D293 PolarHBondContact NZ-OD1 3.22Å; K256-V294 PolarHBondContact N-O 3.01Å; K256-V294 VanDerWaalsContact N-O 3.15Å; K256-V295 HydrophobicContact CB-CG2 4.35Å; K256-V295 HydrophobicContact CD-CG2 4.01Å; K256-V295 HydrophobicContact CG-CG2 4.22Å |
| 257 | R | 69.8 | Low | 67 | Low | 142 Ų | 142 | 71.1 Ų | 71.1 | 54% | 0.536 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -18.7 | 178.9 | -56.9 | -177.9 | -172.5 | 164.7 | 3.3 | 114 | C255 S259 E297 | C255-R257 PolarHBondContact O-N 2.98Å; C255-R257 VanDerWaalsContact O-N 3.07Å; C255-R257 VanDerWaalsContact SG-CB 3.57Å; C255-R257 PolarHBondContact SG-N 2.9Å; R257-S259 PolarHBondContact O-N 2.91Å; R257-E297 PolarHBondContact NH1-O 2.97Å |
| 258 | C | 67.5 | Low | 65.1 | Low | 36 Ų | 36 | 78.1 Ų | 78.1 | 24% | 0.243 | 42% | 0.421 | C | S | . | . | trans | -70.4 | 94.1 | 179.9 | -98.1 | 0 | 0 | 0 | 0 | 107.8 | C252 C255 Y260 C299 | C252-C258 WeakPolarHBondContact CB-SG 3.3Å; C252-C258 WeakPolarHBondContact SG-CB 3.17Å; C252-C258 CovalentContact SG-SG 2.07Å; C252-C258 PolarHBondContact SG-SG 3.46Å; C255-C258 HydrophobicContact CB-CB 4.46Å; C255-C258 WeakPolarHBondContact O-CB 3.16Å; C255-C258 PolarHBondContact O-N 3.31Å; C255-C258 PolarHBondContact SG-N 3.22Å; C258-Y260 HydrophobicContact CB-CD2 4.14Å; C258-Y260 HydrophobicContact CB-CE2 4.29Å; C258-Y260 PolarHBondContact O-N 3.43Å; C258-C299 PolarHBondContact SG-SG 3.01Å | ||
| 259 | S | 53.5 | Low | 63.6 | Low | 108 Ų | 108 | 79.1 Ų | 79.1 | 76% | 0.755 | 43% | 0.432 | S | S | * | . | trans | -73.3 | 70.9 | 167.3 | 53.6 | 0 | 0 | 0 | 0 | 108.7 | R257 I261 | R257-S259 PolarHBondContact O-N 2.91Å; S259-I261 VanDerWaalsContact C-N 3.31Å; S259-I261 PolarHBondContact O-N 2.87Å | ||
| 260 | Y | 55 | Low | 62.5 | Low | 100 Ų | 100 | 87.7 Ų | 87.7 | 39% | 0.392 | 46% | 0.464 | S | S | . | . | trans | -62.1 | 106.9 | 156 | -81.8 | -67.2 | 0 | 0 | 0 | 106.1 | C252 C258 D262 P323 | C252-Y260 PolarHBondContact O-OH 2.96Å; C258-Y260 HydrophobicContact CB-CD2 4.14Å; C258-Y260 HydrophobicContact CB-CE2 4.29Å; C258-Y260 PolarHBondContact O-N 3.43Å; Y260-D262 PolarHBondContact O-N 3.45Å; Y260-P323 HydrophobicContact CD1-CG 4.22Å; Y260-P323 HydrophobicContact CE1-CB 4.44Å; Y260-P323 HydrophobicContact CE1-CG 3.16Å; Y260-P323 VanDerWaalsContact OH-CG 3.24Å; Y260-P323 WeakPolarHBondContact OH-CG 3.33Å | ||
| 261 | I | 51.1 | Low | 61.8 | Low | 131 Ų | 131 | 91.2 Ų | 91.2 | 67% | 0.672 | 47% | 0.474 | S | S | * | . | trans | -64.4 | 96.2 | 166.6 | -61.2 | 167.5 | 0 | 0 | 0 | 104.5 | S259 P263 L266 | S259-I261 VanDerWaalsContact C-N 3.31Å; S259-I261 PolarHBondContact O-N 2.87Å; I261-P263 WeakPolarHBondContact O-CD 3.44Å; I261-L266 HydrophobicContact CG2-CD1 3.9Å | ||
| 262 | D | 49 | Very low | 60.9 | Low | 87 Ų | 87 | 91.7 Ų | 91.7 | 47% | 0.465 | 48% | 0.478 | S | S | . | . | trans | -61.2 | 114.7 | 165 | -174.3 | -10.1 | 0 | 0 | 0 | 106.4 | Y260 N264 A265 | Y260-D262 PolarHBondContact O-N 3.45Å; D262-N264 PolarHBondContact O-N 3.37Å; D262-N264 VanDerWaalsContact O-N 3.07Å; D262-N264 WeakPolarHBondContact OD1-CB 3.31Å; D262-N264 PolarHBondContact OD1-N 2.83Å; D262-A265 HydrophobicContact CB-CB 4.28Å; D262-A265 WeakPolarHBondContact O-CB 3.25Å; D262-A265 PolarHBondContact O-N 3.4Å | ||
| 263 | P | 48 | Very low | 60.2 | Low | 69 Ų | 69 | 99 Ų | 99 | 45% | 0.448 | 51% | 0.505 | S | S | . | . | G | 310 helix | trans | -58.6 | -22.6 | -179.9 | 22.5 | -31.3 | 0 | 0 | 0 | 111.9 | I261 A265 | I261-P263 WeakPolarHBondContact O-CD 3.44Å; P263-A265 VanDerWaalsContact C-N 3.34Å |
| 264 | N | 49.8 | Very low | 59.9 | Low | 115 Ų | 115 | 100.1 Ų | 100.1 | 62% | 0.615 | 51% | 0.505 | S | S | * | . | G | 310 helix | trans | -78.6 | -13.4 | 176.7 | -67.8 | -29.2 | 0 | 0 | 0 | 114 | D262 L266 | D262-N264 PolarHBondContact O-N 3.37Å; D262-N264 VanDerWaalsContact O-N 3.07Å; D262-N264 WeakPolarHBondContact OD1-CB 3.31Å; D262-N264 PolarHBondContact OD1-N 2.83Å; N264-L266 PolarHBondContact O-N 2.82Å |
| 265 | A | 47.6 | Very low | 59.7 | Low | 73 Ų | 73 | 106 Ų | 106 | 60% | 0.603 | 53% | 0.526 | S | S | * | . | G | 310 helix | trans | -72.3 | -19.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D262 P263 | D262-A265 HydrophobicContact CB-CB 4.28Å; D262-A265 WeakPolarHBondContact O-CB 3.25Å; D262-A265 PolarHBondContact O-N 3.4Å; P263-A265 VanDerWaalsContact C-N 3.34Å |
| 266 | L | 45.7 | Very low | 58.8 | Low | 141 Ų | 141 | 111.7 Ų | 111.7 | 74% | 0.738 | 56% | 0.555 | S | S | * | * | G | 310 helix | trans | -85.6 | -8.3 | -178.1 | -82.4 | 147.8 | 0 | 0 | 0 | 114.3 | I261 N264 | I261-L266 HydrophobicContact CG2-CD1 3.9Å; N264-L266 PolarHBondContact O-N 2.82Å |
| 267 | T | 48.7 | Very low | 58.1 | Low | 95 Ų | 95 | 117.5 Ų | 117.5 | 58% | 0.583 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -126.1 | 19.9 | -174.6 | 57.5 | 0 | 0 | 0 | 0 | 114 | P269 | T267-P269 WeakPolarHBondContact O-CD 3.45Å; T267-P269 VanDerWaalsContact O-N 3.1Å |
| 268 | K | 51.9 | Low | 57.3 | Low | 166 Ų | 166 | 120.8 Ų | 120.8 | 72% | 0.722 | 59% | 0.586 | S | S | * | * | trans | -67.2 | 108.7 | 169.5 | -87.9 | -176.8 | 179.4 | 175.4 | 0 | 108.6 | W270 | K268-W270 PolarHBondContact O-N 3Š| ||
| 269 | P | 60.9 | Low | 56.3 | Low | 52 Ų | 52 | 125.7 Ų | 125.7 | 34% | 0.338 | 61% | 0.61 | S | S | . | * | trans | -64.8 | 141.5 | 175.8 | -10.2 | 26.9 | 0 | 0 | 0 | 107.9 | T267 W271 S272 | T267-P269 WeakPolarHBondContact O-CD 3.45Å; T267-P269 VanDerWaalsContact O-N 3.1Å; P269-W271 HydrophobicContact CB-CD2 3.7Å; P269-W271 HydrophobicContact CB-CE3 4.41Å; P269-W271 HydrophobicContact CB-CG 4.07Å; P269-W271 HydrophobicContact CB-CH2 4.16Å; P269-W271 HydrophobicContact CB-CZ2 3.43Å; P269-W271 VanDerWaalsContact CB-CZ2 3.43Å; P269-W271 VanDerWaalsContact CB-NE1 3.25Å; P269-W271 HydrophobicContact CG-CZ2 4.17Å; P269-W271 PolarHBondContact O-N 2.96Å; P269-S272 WeakPolarHBondContact O-CB 3.49Å; P269-S272 PolarHBondContact O-N 3.09Å; P269-S272 PolarHBondContact O-OG 3Å; P269-S272 VanDerWaalsContact O-OG 3.06Å | ||
| 270 | W | 66.1 | Low | 56 | Low | 182 Ų | 182 | 125.9 Ų | 125.9 | 69% | 0.689 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59 | -7.8 | -178.8 | 77.7 | -86.2 | 0 | 0 | 0 | 113.7 | K268 W273 | K268-W270 PolarHBondContact O-N 3Å; W270-W273 AromaticContact CE3-NE1 3.97Å; W270-W273 PolarHBondContact O-NE1 3.31Å |
| 271 | W | 73.9 | Confident | 55.6 | Low | 137 Ų | 137 | 124.7 Ų | 124.7 | 52% | 0.519 | 61% | 0.613 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93 | -7.2 | 172.9 | 48.9 | 77.7 | 0 | 0 | 0 | 114 | P269 W273 L274 | P269-W271 HydrophobicContact CB-CD2 3.7Å; P269-W271 HydrophobicContact CB-CE3 4.41Å; P269-W271 HydrophobicContact CB-CG 4.07Å; P269-W271 HydrophobicContact CB-CH2 4.16Å; P269-W271 HydrophobicContact CB-CZ2 3.43Å; P269-W271 VanDerWaalsContact CB-CZ2 3.43Å; P269-W271 VanDerWaalsContact CB-NE1 3.25Å; P269-W271 HydrophobicContact CG-CZ2 4.17Å; P269-W271 PolarHBondContact O-N 2.96Å; W271-W273 PolarHBondContact O-N 2.95Å; W271-W273 VanDerWaalsContact O-N 3.15Å; W271-L274 HydrophobicContact CB-CD1 4.44Å; W271-L274 WeakPolarHBondContact O-CB 3.35Å; W271-L274 PolarHBondContact O-N 2.7Å |
| 272 | S | 67.1 | Low | 55.6 | Low | 49 Ų | 49 | 121.1 Ų | 121.1 | 34% | 0.343 | 60% | 0.6 | S | S | . | * | G | 310 helix | trans | -64.7 | -19.3 | 179.8 | 65.9 | 0 | 0 | 0 | 0 | 113 | P269 L274 F275 | P269-S272 WeakPolarHBondContact O-CB 3.49Å; P269-S272 PolarHBondContact O-N 3.09Å; P269-S272 PolarHBondContact O-OG 3Å; P269-S272 VanDerWaalsContact O-OG 3.06Å; S272-L274 VanDerWaalsContact C-N 3.28Å; S272-F275 PolarHBondContact O-N 2.86Å |
| 273 | W | 69.1 | Low | 55.6 | Low | 159 Ų | 159 | 121.1 Ų | 121.1 | 60% | 0.602 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -70.5 | -24.2 | 173.5 | 71.7 | -84 | 0 | 0 | 0 | 113.3 | W270 W271 F275 L276 | W270-W273 AromaticContact CE3-NE1 3.97Å; W270-W273 PolarHBondContact O-NE1 3.31Å; W271-W273 PolarHBondContact O-N 2.95Å; W271-W273 VanDerWaalsContact O-N 3.15Å; W273-F275 PolarHBondContact O-N 2.96Å; W273-L276 VanDerWaalsContact CA-CD1 3.44Å; W273-L276 HydrophobicContact CB-CD1 4.11Å; W273-L276 WeakPolarHBondContact O-CD1 3.4Å |
| 274 | L | 67.7 | Low | 55.6 | Low | 100 Ų | 100 | 121.8 Ų | 121.8 | 52% | 0.524 | 62% | 0.618 | S | S | . | * | G | 310 helix | trans | -73.5 | -14.6 | 177.6 | -72.6 | 161.6 | 0 | 0 | 0 | 112.8 | W271 S272 | W271-L274 HydrophobicContact CB-CD1 4.44Å; W271-L274 WeakPolarHBondContact O-CB 3.35Å; W271-L274 PolarHBondContact O-N 2.7Å; S272-L274 VanDerWaalsContact C-N 3.28Å |
| 275 | F | 64.9 | Low | 55.2 | Low | 138 Ų | 138 | 120.6 Ų | 120.6 | 61% | 0.605 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -117.1 | 24.7 | -178 | -59.4 | -70.7 | 0 | 0 | 0 | 113.5 | S272 W273 W277 R278 | S272-F275 PolarHBondContact O-N 2.86Å; W273-F275 PolarHBondContact O-N 2.96Å; F275-W277 PolarHBondContact O-N 3.21Å; F275-R278 PolarHBondContact O-N 3.37Å |
| 276 | L | 56.7 | Low | 55 | Low | 130 Ų | 130 | 125.7 Ų | 125.7 | 68% | 0.681 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.8 | -13.5 | -177.5 | -117.6 | 89.1 | 0 | 0 | 0 | 114.9 | W273 | W273-L276 VanDerWaalsContact CA-CD1 3.44Å; W273-L276 HydrophobicContact CB-CD1 4.11Å; W273-L276 WeakPolarHBondContact O-CD1 3.4Å |
| 277 | W | 57.2 | Low | 55 | Low | 257 Ų | 257 | 126 Ų | 126 | 97% | 0.973 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | -1.5 | -174.1 | -63.2 | 1.7 | 0 | 0 | 0 | 114.5 | F275 | F275-W277 PolarHBondContact O-N 3.21Š|
| 278 | R | 51.3 | Low | 54.9 | Low | 211 Ų | 211 | 124.5 Ų | 124.5 | 80% | 0.796 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -113.6 | -8.3 | -170.3 | -103.8 | -178 | 180 | 170.5 | 0.5 | 118 | F275 | F275-R278 PolarHBondContact O-N 3.37Š|
| 279 | N | 47.2 | Very low | 54.6 | Low | 140 Ų | 140 | 119.8 Ų | 119.8 | 75% | 0.749 | 60% | 0.598 | S | S | * | * | trans | -117.1 | 108.3 | -178.9 | -67.6 | -29.4 | 0 | 0 | 0 | 110.5 | ||||
| 280 | P | 47.8 | Very low | 54.1 | Low | 112 Ų | 112 | 122 Ų | 122 | 73% | 0.727 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 143 | 166.5 | 25.6 | -31 | 0 | 0 | 0 | 108.9 | S282 | P280-S282 PolarHBondContact O-N 3.29Š|
| 281 | P | 46.7 | Very low | 53.5 | Low | 75 Ų | 75 | 116.6 Ų | 116.6 | 49% | 0.487 | 60% | 0.596 | S | S | . | * | P | Polyproline II helix | trans | -55.3 | 127.3 | 179.7 | 20.5 | -30.6 | 0 | 0 | 0 | 109.7 | D285 | P281-D285 HydrophobicContact CB-CB 3.83Š|
| 282 | S | 50.9 | Low | 52.5 | Low | 55 Ų | 55 | 116.6 Ų | 116.6 | 39% | 0.385 | 60% | 0.599 | S | S | . | * | P | Polyproline II helix | trans | -57.7 | 153.3 | 174.7 | 63.1 | 0 | 0 | 0 | 0 | 109.9 | P280 S284 D285 | P280-S282 PolarHBondContact O-N 3.29Å; S282-S284 PolarHBondContact O-N 2.81Å; S282-S284 PolarHBondContact OG-OG 3.09Å; S282-D285 PolarHBondContact N-OD2 2.89Å; S282-D285 WeakPolarHBondContact O-CB 3.43Å; S282-D285 PolarHBondContact O-N 3.48Å; S282-D285 PolarHBondContact OG-OD2 3.04Å |
| 283 | A | 47.4 | Very low | 52.4 | Low | 88 Ų | 88 | 120.5 Ų | 120.5 | 73% | 0.727 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -56.4 | -25.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | R286 | A283-R286 PolarHBondContact O-N 2.68Å |
| 284 | S | 48.5 | Very low | 52.3 | Low | 82 Ų | 82 | 116.2 Ų | 116.2 | 57% | 0.573 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -68.2 | -31.6 | 171.4 | 41.2 | 0 | 0 | 0 | 0 | 114.1 | S282 R286 Q287 A288 | S282-S284 PolarHBondContact O-N 2.81Å; S282-S284 PolarHBondContact OG-OG 3.09Å; S284-R286 PolarHBondContact O-N 2.9Å; S284-Q287 PolarHBondContact O-N 2.99Å; S284-A288 PolarHBondContact O-N 2.8Å |
| 285 | D | 42.7 | Very low | 52.4 | Low | 91 Ų | 91 | 114.9 Ų | 114.9 | 49% | 0.487 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -68 | -25.7 | 175.8 | -77.1 | -52.5 | 0 | 0 | 0 | 112.3 | P281 S282 | P281-D285 HydrophobicContact CB-CB 3.83Å; S282-D285 PolarHBondContact N-OD2 2.89Å; S282-D285 WeakPolarHBondContact O-CB 3.43Å; S282-D285 PolarHBondContact O-N 3.48Å; S282-D285 PolarHBondContact OG-OD2 3.04Å |
| 286 | R | 42.3 | Very low | 52.9 | Low | 180 Ų | 180 | 111.1 Ų | 111.1 | 68% | 0.679 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -77.2 | -22.8 | 177.8 | -67.9 | -174.2 | -176.9 | 179.3 | 0.7 | 113.4 | A283 S284 S289 | A283-R286 PolarHBondContact O-N 2.68Å; S284-R286 PolarHBondContact O-N 2.9Å; R286-S289 PolarHBondContact O-OG 2.81Å; R286-S289 VanDerWaalsContact O-OG 3.11Å |
| 287 | Q | 46.6 | Very low | 54 | Low | 148 Ų | 148 | 111.9 Ų | 111.9 | 69% | 0.692 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -84.9 | -29 | 173.2 | -110.8 | 167.1 | -7.7 | 0 | 0 | 112.2 | S284 S289 T290 | S284-Q287 PolarHBondContact O-N 2.99Å; Q287-S289 VanDerWaalsContact C-N 3.26Å; Q287-S289 PolarHBondContact O-N 2.74Å; Q287-T290 PolarHBondContact O-OG1 3.41Å |
| 288 | A | 45.8 | Very low | 55.1 | Low | 62 Ų | 62 | 107 Ų | 107 | 51% | 0.512 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -70.3 | -19.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | S284 | S284-A288 PolarHBondContact O-N 2.8Å |
| 289 | S | 45.1 | Very low | 56.4 | Low | 68 Ų | 68 | 97.3 Ų | 97.3 | 48% | 0.476 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -84.4 | -27.7 | 178.4 | 63.9 | 0 | 0 | 0 | 0 | 113.9 | R286 Q287 | R286-S289 PolarHBondContact O-OG 2.81Å; R286-S289 VanDerWaalsContact O-OG 3.11Å; Q287-S289 VanDerWaalsContact C-N 3.26Å; Q287-S289 PolarHBondContact O-N 2.74Å |
| 290 | T | 50.3 | Low | 57.7 | Low | 99 Ų | 99 | 93.4 Ų | 93.4 | 61% | 0.607 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -81.6 | -29.2 | -179 | 41 | 0 | 0 | 0 | 0 | 113.7 | Q287 K292 | Q287-T290 PolarHBondContact O-OG1 3.41Å; T290-K292 PolarHBondContact O-N 3.27Å |
| 291 | N | 53.7 | Low | 59.5 | Low | 68 Ų | 68 | 92.8 Ų | 92.8 | 36% | 0.364 | 52% | 0.516 | S | S | . | . | G | 310 helix | trans | -81.5 | 3.3 | 176.9 | -85.8 | -11.8 | 0 | 0 | 0 | 114.1 | S253 D293 V294 | S253-N291 PolarHBondContact O-ND2 3.1Å; N291-D293 VanDerWaalsContact C-N 3.27Å; N291-D293 PolarHBondContact O-N 3.03Å; N291-V294 PolarHBondContact O-N 3.33Å |
| 292 | K | 54.3 | Low | 61.5 | Low | 136 Ų | 136 | 96 Ų | 96 | 59% | 0.591 | 52% | 0.522 | S | S | * | . | G | 310 helix | trans | -60.2 | -36.7 | -178.3 | -78.6 | -175.9 | -179.2 | 177.6 | 0 | 111.4 | K256 T290 | K256-K292 WeakPolarHBondContact CD-O 3.3Å; K256-K292 WeakPolarHBondContact CE-O 3.49Å; K256-K292 WeakPolarHBondContact CG-O 3.42Å; T290-K292 PolarHBondContact O-N 3.27Å |
| 293 | D | 63.7 | Low | 63.5 | Low | 131 Ų | 131 | 96.3 Ų | 96.3 | 70% | 0.701 | 52% | 0.519 | S | S | * | . | G | 310 helix | trans | -92.1 | -1.3 | -174.9 | -65.8 | -41.7 | 0 | 0 | 0 | 116 | K256 N291 V295 | K256-D293 IonicContact NZ-OD1 3.28Å; K256-D293 PolarHBondContact NZ-OD1 3.22Å; N291-D293 VanDerWaalsContact C-N 3.27Å; N291-D293 PolarHBondContact O-N 3.03Å; D293-V295 PolarHBondContact O-N 3.38Å |
| 294 | V | 67.5 | Low | 65.6 | Low | 69 Ų | 69 | 99.5 Ų | 99.5 | 42% | 0.418 | 52% | 0.519 | S | S | . | . | trans | -82.2 | 108.5 | 178.2 | -174.1 | 0 | 0 | 0 | 0 | 109.5 | C255 K256 N291 | C255-V294 WeakPolarHBondContact CA-O 3.46Å; K256-V294 PolarHBondContact N-O 3.01Å; K256-V294 VanDerWaalsContact N-O 3.15Å; N291-V294 PolarHBondContact O-N 3.33Å | ||
| 295 | V | 70.8 | Confident | 67.7 | Low | 73 Ų | 73 | 97 Ų | 97 | 44% | 0.442 | 50% | 0.499 | S | S | . | . | trans | -102.7 | 106 | 168.9 | -177.6 | 0 | 0 | 0 | 0 | 107.4 | K256 D293 | K256-V295 HydrophobicContact CB-CG2 4.35Å; K256-V295 HydrophobicContact CD-CG2 4.01Å; K256-V295 HydrophobicContact CG-CG2 4.22Å; D293-V295 PolarHBondContact O-N 3.38Å | ||
| 296 | N | 74.5 | Confident | 70.1 | Confident | 59 Ų | 59 | 98.3 Ų | 98.3 | 32% | 0.316 | 51% | 0.51 | S | S | . | . | trans | -82.9 | 118.9 | 168 | 177.2 | 0.2 | 0 | 0 | 0 | 107.3 | C255 R298 C299 | C255-N296 HydrophobicContact CB-CB 3.94Å; N296-R298 VanDerWaalsContact C-N 3.3Å; N296-R298 PolarHBondContact O-N 2.96Å; N296-R298 PolarHBondContact OD1-N 2.84Å; N296-C299 HydrophobicContact CB-CB 3.86Å; N296-C299 WeakPolarHBondContact O-CB 3.49Å; N296-C299 PolarHBondContact O-N 2.85Å | ||
| 297 | E | 78.8 | Confident | 72.5 | Confident | 146 Ų | 146 | 90.9 Ų | 90.9 | 68% | 0.682 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -36.1 | -175.7 | -64.7 | -173.7 | 162.4 | 0 | 0 | 112.2 | R257 C299 | R257-E297 PolarHBondContact NH1-O 2.97Å; E297-C299 PolarHBondContact O-N 3.04Å |
| 298 | R | 80.6 | Confident | 74.6 | Confident | 155 Ų | 155 | 84.6 Ų | 84.6 | 59% | 0.585 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -7.1 | 179.4 | -61.3 | -174.3 | -179.5 | -173.3 | 0.5 | 113.8 | N296 G300 E301 | N296-R298 VanDerWaalsContact C-N 3.3Å; N296-R298 PolarHBondContact O-N 2.96Å; N296-R298 PolarHBondContact OD1-N 2.84Å; R298-G300 PolarHBondContact O-N 2.96Å; R298-G300 VanDerWaalsContact O-N 3.11Å; R298-E301 PolarHBondContact O-N 2.82Å; R298-E301 VanDerWaalsContact O-N 3.07Å |
| 299 | C | 78.5 | Confident | 76.7 | Confident | 6 Ų | 6 | 81.7 Ų | 81.7 | 4% | 0.041 | 43% | 0.432 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | 110.5 | -179.7 | -169.1 | 0 | 0 | 0 | 0 | 110.5 | C252 C255 C258 N296 E297 | C252-C299 PolarHBondContact SG-SG 2.87Å; C255-C299 HydrophobicContact CB-CB 4.15Å; C255-C299 WeakPolarHBondContact CB-SG 3.26Å; C255-C299 WeakPolarHBondContact SG-CB 3.34Å; C255-C299 CovalentContact SG-SG 2.07Å; C255-C299 PolarHBondContact SG-SG 2.92Å; C258-C299 PolarHBondContact SG-SG 3.01Å; N296-C299 HydrophobicContact CB-CB 3.86Å; N296-C299 WeakPolarHBondContact O-CB 3.49Å; N296-C299 PolarHBondContact O-N 2.85Å; E297-C299 PolarHBondContact O-N 3.04Å |
| 300 | G | 76.1 | Confident | 78.7 | Confident | 59 Ų | 59 | 78.7 Ų | 78.7 | 61% | 0.608 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.9 | 0.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | R298 | R298-G300 PolarHBondContact O-N 2.96Å; R298-G300 VanDerWaalsContact O-N 3.11Å |
| 301 | E | 85.3 | Confident | 80.5 | Confident | 99 Ų | 99 | 74.2 Ų | 74.2 | 46% | 0.463 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -72.5 | 132.5 | 171.2 | -64.8 | -173 | 164.6 | 0 | 0 | 109.9 | R298 | R298-E301 PolarHBondContact O-N 2.82Å; R298-E301 VanDerWaalsContact O-N 3.07Å |
| 302 | K | 88.4 | Confident | 82.2 | Confident | 142 Ų | 142 | 71.4 Ų | 71.4 | 62% | 0.617 | 37% | 0.368 | S | S | * | . | P | Polyproline II helix | trans | -91.8 | 116.1 | 178.4 | -69 | -179.3 | -178.7 | 173.1 | 0 | 109.3 | Y248 E369 | Y248-K302 WeakPolarHBondContact O-CA 3.24Å; K302-E369 WeakPolarHBondContact CE-OE1 3.47Å |
| 303 | L | 92.2 | Very high | 83.9 | Confident | 61 Ų | 61 | 65 Ų | 65 | 32% | 0.319 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 131.2 | 172.3 | -61.8 | 176.3 | 0 | 0 | 0 | 108.9 | A247 Y248 E250 | A247-L303 CarbonylContact C-O 3.54Å; A247-L303 VanDerWaalsContact CA-O 3.28Å; A247-L303 WeakPolarHBondContact CA-O 3.49Å; Y248-L303 HydrophobicContact CD1-CB 4.18Å; Y248-L303 HydrophobicContact CE1-CB 3.73Å; Y248-L303 HydrophobicContact CE2-CB 4.21Å; Y248-L303 HydrophobicContact CE2-CD1 3.81Å; Y248-L303 PolarHBondContact N-O 3.3Å; Y248-L303 PolarHBondContact O-N 3.04Å; Y248-L303 WeakPolarHBondContact OH-CD1 3.37Å; E250-L303 HydrophobicContact CG-CD1 3.98Å |
| 304 | E | 92.7 | Very high | 85 | Confident | 156 Ų | 156 | 58.9 Ų | 58.9 | 73% | 0.729 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 136.6 | 174.9 | -65.8 | -170 | 168.8 | 0 | 0 | 110.4 | V246 A247 | V246-E304 CarbonylContact O-C 3.58Å; V246-E304 WeakPolarHBondContact O-CA 3.24Å; A247-E304 HydrophobicContact CB-CG 4.33Å |
| 305 | L | 92.9 | Very high | 85.8 | Confident | 30 Ų | 30 | 56.9 Ų | 56.9 | 16% | 0.157 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 120.7 | 177.7 | 179.9 | 66.7 | 0 | 0 | 0 | 109 | V246 Y248 L307 K363 I365 | V246-L305 HydrophobicContact CB-CB 4.4Å; V246-L305 PolarHBondContact N-O 2.78Å; V246-L305 PolarHBondContact O-N 2.72Å; Y248-L305 HydrophobicContact CE1-CB 4.43Å; L305-L307 HydrophobicContact CD2-CD2 3.44Å; L305-L307 VanDerWaalsContact CD2-CD2 3.44Å; L305-L307 HydrophobicContact CG-CD2 3.84Å; L305-K363 HydrophobicContact CD2-CD 3.85Å; L305-I365 HydrophobicContact CD2-CD1 3.47Å; L305-I365 VanDerWaalsContact CD2-CD1 3.47Å |
| 306 | V | 92.8 | Very high | 86.4 | Confident | 117 Ų | 117 | 53.6 Ų | 53.6 | 71% | 0.709 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 122.6 | 171.8 | -177.2 | 0 | 0 | 0 | 0 | 107.7 | L244 | L244-V306 WeakPolarHBondContact O-CA 3.39Å |
| 307 | L | 92.7 | Very high | 86.8 | Confident | 24 Ų | 24 | 52.5 Ų | 52.5 | 13% | 0.126 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 155.4 | -179.9 | 68.8 | 94 | 0 | 0 | 0 | 111.5 | L244 V246 L305 T309 F329 | L244-L307 HydrophobicContact CD1-CD1 4.06Å; L244-L307 PolarHBondContact N-O 3.5Å; L244-L307 PolarHBondContact O-N 2.95Å; L244-L307 VanDerWaalsContact O-N 3.11Å; V246-L307 HydrophobicContact CG2-CD2 4.43Å; L305-L307 HydrophobicContact CD2-CD2 3.44Å; L305-L307 VanDerWaalsContact CD2-CD2 3.44Å; L305-L307 HydrophobicContact CG-CD2 3.84Å; L307-T309 HydrophobicContact CD1-CG2 3.65Å; L307-F329 HydrophobicContact CD1-CB 4.22Å; L307-F329 HydrophobicContact CD1-CD1 3.72Å; L307-F329 HydrophobicContact CD1-CE1 4.33Å; L307-F329 HydrophobicContact CD1-CG 4.05Å; L307-F329 HydrophobicContact CD2-CD1 3.81Å; L307-F329 HydrophobicContact CD2-CD2 3.93Å; L307-F329 HydrophobicContact CD2-CE1 3.91Å; L307-F329 HydrophobicContact CD2-CE2 4.05Å; L307-F329 HydrophobicContact CD2-CG 3.81Å; L307-F329 HydrophobicContact CD2-CZ 4.03Å; L307-F329 HydrophobicContact CG-CD1 4.39Å |
| 308 | S | 90.3 | Very high | 86.7 | Confident | 17 Ų | 17 | 46.3 Ų | 46.3 | 12% | 0.119 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 130.3 | 168.2 | -50.4 | 0 | 0 | 0 | 0 | 108.1 | F242 H243 E332 | F242-S308 VanDerWaalsContact O-CA 3.3Å; F242-S308 WeakPolarHBondContact O-CA 3.37Å; H243-S308 PolarHBondContact CE1-OG 3.38Å; H243-S308 PolarHBondContact ND1-OG 3.13Å; S308-E332 WeakPolarHBondContact CB-OE1 3.12Å; S308-E332 WeakPolarHBondContact O-CA 3.15Å; S308-E332 WeakPolarHBondContact O-CB 3.48Å; S308-E332 PolarHBondContact OG-OE1 3.43Å |
| 309 | T | 90.5 | Very high | 86.5 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 151.2 | 176.4 | -172 | 0 | 0 | 0 | 0 | 111.1 | F242 L244 L307 E311 I312 F329 G330 | F242-T309 WeakPolarHBondContact CB-O 3.39Å; F242-T309 VanDerWaalsContact CD2-O 3.28Å; F242-T309 WeakPolarHBondContact CD2-O 3.28Å; F242-T309 PolarHBondContact N-O 3.26Å; F242-T309 PolarHBondContact O-N 3.05Å; L244-T309 HydrophobicContact CD1-CG2 3.38Å; L307-T309 HydrophobicContact CD1-CG2 3.65Å; T309-E311 WeakPolarHBondContact CG2-O 3.48Å; T309-E311 PolarHBondContact OG1-N 2.78Å; T309-E311 PolarHBondContact OG1-O 2.8Å; T309-I312 HydrophobicContact CG2-CG1 3.8Å; T309-F329 HydrophobicContact CG2-CD1 4.26Å; T309-G330 WeakPolarHBondContact OG1-CA 3.47Å; T309-G330 PolarHBondContact OG1-N 3.37Å; T309-G330 PolarHBondContact OG1-O 2.96Å |
| 310 | S | 87 | Confident | 86.3 | Confident | 6 Ų | 6 | 44.7 Ų | 44.7 | 4% | 0.042 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -80.9 | -15.6 | 171.5 | 49.8 | 0 | 0 | 0 | 0 | 113.4 | F242 P331 | F242-S310 VanDerWaalsContact CE2-O 3.32Å; F242-S310 WeakPolarHBondContact CE2-O 3.49Å; S310-P331 PolarHBondContact N-O 2.88Å; S310-P331 PolarHBondContact OG-O 2.9Å |
| 311 | E | 88.1 | Confident | 86 | Confident | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.019 | 26% | 0.256 | C | S | . | . | trans | -158.2 | 144.7 | -170.2 | -176.3 | 173.6 | -131.8 | 0 | 0 | 112.5 | H205 V206 T309 G330 R346 | H205-E311 VanDerWaalsContact CE1-CD 3.47Å; H205-E311 VanDerWaalsContact CE1-CG 3.47Å; H205-E311 WeakPolarHBondContact CE1-CG 3.46Å; H205-E311 IonicContact CE1-OE1 3.3Å; H205-E311 PolarHBondContact CE1-OE1 3.25Å; H205-E311 IonicContact NE2-OE1 3.64Å; H205-E311 PolarHBondContact NE2-OE1 2.71Å; V206-E311 CarbonylContact O-C 3.59Å; V206-E311 VanDerWaalsContact O-CA 3.28Å; V206-E311 WeakPolarHBondContact O-CA 3.04Å; T309-E311 WeakPolarHBondContact CG2-O 3.48Å; T309-E311 PolarHBondContact OG1-N 2.78Å; T309-E311 PolarHBondContact OG1-O 2.8Å; E311-G330 PolarHBondContact O-N 3.43Å; E311-R346 IonicContact OE1-CZ 3.16Å; E311-R346 IonicContact OE1-NH1 3.04Å; E311-R346 PolarHBondContact OE1-NH1 2.7Å; E311-R346 IonicContact OE1-NH2 2.93Å; E311-R346 IonicContact OE2-CZ 2.55Å; E311-R346 IonicContact OE2-NH1 2.86Å; E311-R346 PolarHBondContact OE2-NH1 2.76Å; E311-R346 IonicContact OE2-NH2 3.19Å; E311-R346 PolarHBondContact OE2-NH2 3.42Å | ||
| 312 | I | 88.9 | Confident | 85.5 | Confident | 10 Ų | 10 | 48.8 Ų | 48.8 | 5% | 0.051 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 131.1 | 177.4 | -46.2 | 170.3 | 0 | 0 | 0 | 108.5 | H205 V206 L244 T309 I327 A328 F329 I372 | H205-I312 CarbonylContact C-O 3.52Å; V206-I312 HydrophobicContact CB-CB 4.36Å; V206-I312 PolarHBondContact N-O 3.38Å; V206-I312 PolarHBondContact O-N 2.85Å; L244-I312 HydrophobicContact CD1-CD1 3.33Å; L244-I312 HydrophobicContact CD1-CG1 3.86Å; L244-I312 HydrophobicContact CD2-CD1 3.73Å; L244-I312 HydrophobicContact CG-CD1 4.18Å; T309-I312 HydrophobicContact CG2-CG1 3.8Å; I312-I327 HydrophobicContact CG2-CG2 4.13Å; I312-A328 WeakPolarHBondContact CA-O 3.4Å; I312-F329 HydrophobicContact CG1-CD1 4.23Å; I312-F329 HydrophobicContact CG1-CE1 4.49Å; I312-F329 HydrophobicContact CG2-CD1 4.12Å; I312-F329 HydrophobicContact CG2-CE1 3.94Å; I312-I372 HydrophobicContact CD1-CG2 4.49Å; I312-I372 HydrophobicContact CG2-CD1 4.26Å |
| 313 | S | 88.7 | Confident | 84.9 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 121 | 171.6 | -55.9 | 0 | 0 | 0 | 0 | 110.2 | L204 H205 F315 I327 A328 L354 | L204-S313 CarbonylContact O-C 3.58Å; L204-S313 WeakPolarHBondContact O-CA 3.5Å; H205-S313 PolarHBondContact CE1-OG 3.3Å; H205-S313 VanDerWaalsContact CE1-OG 3.29Å; H205-S313 PolarHBondContact ND1-OG 2.86Å; S313-F315 VanDerWaalsContact CB-CZ 3.47Å; S313-I327 CarbonylContact O-C 3.51Å; S313-I327 WeakPolarHBondContact O-CA 3.38Å; S313-A328 PolarHBondContact N-O 3.49Å; S313-A328 PolarHBondContact O-N 2.84Å; S313-L354 WeakPolarHBondContact CB-O 3.19Å |
| 314 | A | 88.1 | Confident | 84.6 | Confident | 4 Ų | 4 | 41.9 Ų | 41.9 | 3% | 0.033 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 123 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | C203 L204 L325 N326 I327 M481 | C203-A314 CarbonylContact C-O 3.53Å; C203-A314 WeakPolarHBondContact CA-O 3.31Å; L204-A314 HydrophobicContact CB-CB 4.39Å; L204-A314 PolarHBondContact N-O 3.06Å; L204-A314 PolarHBondContact O-N 2.89Å; A314-L325 HydrophobicContact CB-CD1 4.15Å; A314-L325 HydrophobicContact CB-CG 4.41Å; A314-N326 CarbonylContact C-O 3.53Å; A314-N326 WeakPolarHBondContact CA-O 3.33Å; A314-I327 HydrophobicContact CB-CG1 4.12Å; A314-M481 HydrophobicContact CB-SD 3.92Å |
| 315 | F | 84.9 | Confident | 84.3 | Confident | 26 Ų | 26 | 34.5 Ų | 34.5 | 11% | 0.114 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 137.7 | -179.7 | -54.2 | -92.8 | 0 | 0 | 0 | 110.1 | C203 S313 N326 Y353 L354 | C203-F315 HydrophobicContact CB-CD1 3.56Å; C203-F315 HydrophobicContact CB-CE1 3.84Å; C203-F315 HydrophobicContact CB-CG 4.36Å; S313-F315 VanDerWaalsContact CB-CZ 3.47Å; F315-N326 PolarHBondContact N-O 3.38Å; F315-N326 PolarHBondContact O-N 2.87Å; F315-Y353 HydrophobicContact CE1-CD2 4.25Å; F315-Y353 HydrophobicContact CE1-CG 4.27Å; F315-L354 WeakPolarHBondContact CE2-O 3.5Å; F315-L354 WeakPolarHBondContact CZ-O 3.43Å |
| 316 | N | 83.3 | Confident | 84.2 | Confident | 5 Ų | 5 | 34.7 Ų | 34.7 | 3% | 0.027 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 128.2 | 169.5 | -171 | 14.1 | 0 | 0 | 0 | 109.5 | S186 V188 I201 S202 L318 | S186-N316 WeakPolarHBondContact CB-OD1 3.21Å; S186-N316 PolarHBondContact O-ND2 3.02Å; V188-N316 HydrophobicContact CG2-CB 3.73Å; I201-N316 VanDerWaalsContact O-CB 3.26Å; I201-N316 WeakPolarHBondContact O-CB 3.47Å; I201-N316 PolarHBondContact O-ND2 3.47Å; S202-N316 PolarHBondContact O-N 2.87Å; N316-L318 WeakPolarHBondContact ND2-CD2 3.33Å; N316-L318 PolarHBondContact O-N 2.75Å; N316-L318 VanDerWaalsContact O-N 3.09Å |
| 317 | N | 81.7 | Confident | 84.2 | Confident | 35 Ų | 35 | 29.2 Ų | 29.2 | 19% | 0.187 | 16% | 0.155 | C | C | . | . | trans | -81.6 | 93.9 | 175.4 | -164 | -35.1 | 0 | 0 | 0 | 110.3 | N319 S320 K324 | N317-N319 PolarHBondContact O-N 2.93Å; N317-N319 PolarHBondContact OD1-N 3.37Å; N317-N319 VanDerWaalsContact OD1-N 3.1Å; N317-S320 PolarHBondContact OD1-N 3.21Å; N317-K324 HydrophobicContact CB-CD 4.27Å; N317-K324 HydrophobicContact CB-CG 3.62Å; N317-K324 VanDerWaalsContact CG-CE 3.41Å; N317-K324 PolarHBondContact N-O 2.86Å; N317-K324 WeakPolarHBondContact ND2-CE 3.22Å | ||
| 318 | L | 76.8 | Confident | 84.1 | Confident | 17 Ų | 17 | 28.2 Ų | 28.2 | 9% | 0.089 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -13.2 | 179.7 | -61.7 | 175.8 | 0 | 0 | 0 | 114 | V155 H158 L159 S186 I201 N316 | V155-L318 HydrophobicContact CG1-CD1 4.08Å; H158-L318 HydrophobicContact CB-CB 4.32Å; H158-L318 HydrophobicContact CB-CD1 4.21Å; L159-L318 HydrophobicContact CD2-CB 4.44Å; L159-L318 HydrophobicContact CG-CD1 4.45Å; S186-L318 WeakPolarHBondContact O-CD2 3.31Å; I201-L318 HydrophobicContact CG2-CD1 4.05Å; I201-L318 HydrophobicContact CG2-CD2 3.97Å; N316-L318 WeakPolarHBondContact ND2-CD2 3.33Å; N316-L318 PolarHBondContact O-N 2.75Å; N316-L318 VanDerWaalsContact O-N 3.09Å |
| 319 | N | 75.8 | Confident | 84.2 | Confident | 103 Ų | 103 | 27.4 Ų | 27.4 | 55% | 0.551 | 14% | 0.144 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -9.9 | -177.9 | -68 | -14.3 | 0 | 0 | 0 | 113 | H158 N317 | H158-N319 PolarHBondContact O-OD1 3.3Å; N317-N319 PolarHBondContact O-N 2.93Å; N317-N319 PolarHBondContact OD1-N 3.37Å; N317-N319 VanDerWaalsContact OD1-N 3.1Å |
| 320 | S | 74.6 | Confident | 84.2 | Confident | 24 Ų | 24 | 27.4 Ų | 27.4 | 17% | 0.168 | 14% | 0.144 | C | C | . | . | trans | -100.6 | 129.3 | -176.1 | -177.7 | 0 | 0 | 0 | 0 | 109.2 | N317 E322 K324 | N317-S320 PolarHBondContact OD1-N 3.21Å; S320-E322 PolarHBondContact O-N 2.84Å; S320-E322 PolarHBondContact OG-N 3.36Å; S320-E322 PolarHBondContact OG-O 3.47Å; S320-E322 VanDerWaalsContact OG-O 3.07Å; S320-K324 VanDerWaalsContact CB-CE 3.49Å; S320-K324 WeakPolarHBondContact OG-CE 3.41Å; S320-K324 PolarHBondContact OG-NZ 2.78Å | ||
| 321 | D | 70.9 | Confident | 84.4 | Confident | 161 Ų | 161 | 28.5 Ų | 28.5 | 86% | 0.861 | 15% | 0.151 | S | C | * | . | S | Bend | trans | -64.5 | -24.7 | 171.2 | -64.8 | -36.1 | 0 | 0 | 0 | 111.2 | ||
| 322 | E | 74.2 | Confident | 84.5 | Confident | 83 Ų | 83 | 32.8 Ų | 32.8 | 39% | 0.388 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -80.9 | 123.8 | 172.6 | -60.7 | -178 | 172.4 | 0 | 0 | 110.7 | S253 S320 K324 | S253-E322 VanDerWaalsContact CB-OE1 3.23Å; S253-E322 WeakPolarHBondContact CB-OE1 3.37Å; S320-E322 PolarHBondContact O-N 2.84Å; S320-E322 PolarHBondContact OG-N 3.36Å; S320-E322 PolarHBondContact OG-O 3.47Å; S320-E322 VanDerWaalsContact OG-O 3.07Å; E322-K324 PolarHBondContact O-N 3.49Å |
| 323 | P | 75.6 | Confident | 84.3 | Confident | 11 Ų | 11 | 38.4 Ų | 38.4 | 7% | 0.071 | 20% | 0.195 | C | C | . | . | trans | -70.9 | 98.1 | 177.6 | 28.2 | -32.3 | 0 | 0 | 0 | 109.7 | S186 Y260 P483 | S186-P323 WeakPolarHBondContact OG-CB 3.49Å; Y260-P323 HydrophobicContact CD1-CG 4.22Å; Y260-P323 HydrophobicContact CE1-CB 4.44Å; Y260-P323 HydrophobicContact CE1-CG 3.16Å; Y260-P323 VanDerWaalsContact OH-CG 3.24Å; Y260-P323 WeakPolarHBondContact OH-CG 3.33Å; P323-P483 HydrophobicContact CB-CB 4Å; P323-P483 HydrophobicContact CB-CG 4.19Å | ||
| 324 | K | 85.1 | Confident | 84.2 | Confident | 46 Ų | 46 | 38.8 Ų | 38.8 | 20% | 0.2 | 20% | 0.197 | C | C | . | . | trans | -125.3 | 138 | 179.1 | 66.6 | -169.3 | -175.5 | -164.7 | 0 | 111.2 | P251 N317 S320 E322 | P251-K324 HydrophobicContact CB-CB 4.27Å; N317-K324 HydrophobicContact CB-CD 4.27Å; N317-K324 HydrophobicContact CB-CG 3.62Å; N317-K324 VanDerWaalsContact CG-CE 3.41Å; N317-K324 PolarHBondContact N-O 2.86Å; N317-K324 WeakPolarHBondContact ND2-CE 3.22Å; S320-K324 VanDerWaalsContact CB-CE 3.49Å; S320-K324 WeakPolarHBondContact OG-CE 3.41Å; S320-K324 PolarHBondContact OG-NZ 2.78Å; E322-K324 PolarHBondContact O-N 3.49Å | ||
| 325 | L | 88.1 | Confident | 84.2 | Confident | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 115.5 | 175 | -174.6 | 70.3 | 0 | 0 | 0 | 108.5 | V188 A314 I327 D366 A367 C370 M481 | V188-L325 HydrophobicContact CG1-CD1 4.16Å; V188-L325 HydrophobicContact CG2-CD1 3.68Å; A314-L325 HydrophobicContact CB-CD1 4.15Å; A314-L325 HydrophobicContact CB-CG 4.41Å; L325-I327 HydrophobicContact CD2-CD1 3.85Å; L325-I327 HydrophobicContact CD2-CG1 4.02Å; L325-I327 HydrophobicContact CG-CD1 4.28Å; L325-I327 HydrophobicContact CG-CG1 3.91Å; L325-D366 CarbonylContact O-C 3.53Å; L325-D366 WeakPolarHBondContact O-CA 3.38Å; L325-A367 VanDerWaalsContact CB-O 3.3Å; L325-A367 WeakPolarHBondContact CB-O 3.43Å; L325-A367 PolarHBondContact N-O 3.17Å; L325-A367 PolarHBondContact O-N 3.17Å; L325-C370 HydrophobicContact CD2-CB 4.15Å; L325-M481 HydrophobicContact CD2-CB 3.81Å; L325-M481 HydrophobicContact CD2-SD 4.26Å |
| 326 | N | 90.3 | Very high | 84.4 | Confident | 35 Ų | 35 | 43.4 Ų | 43.4 | 19% | 0.187 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 113.5 | 177.7 | -67.9 | 15.5 | 0 | 0 | 0 | 108.4 | A314 F315 D366 | A314-N326 CarbonylContact C-O 3.53Å; A314-N326 WeakPolarHBondContact CA-O 3.33Å; F315-N326 PolarHBondContact N-O 3.38Å; F315-N326 PolarHBondContact O-N 2.87Å; N326-D366 PolarHBondContact OD1-OD1 2.76Å; N326-D366 VanDerWaalsContact OD1-OD1 3.11Å |
| 327 | I | 91.6 | Very high | 84.7 | Confident | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 120.3 | -178.2 | -50 | 177.8 | 0 | 0 | 0 | 108.6 | I312 S313 A314 L325 F329 T364 I365 A367 C370 | I312-I327 HydrophobicContact CG2-CG2 4.13Å; S313-I327 CarbonylContact O-C 3.51Å; S313-I327 WeakPolarHBondContact O-CA 3.38Å; A314-I327 HydrophobicContact CB-CG1 4.12Å; L325-I327 HydrophobicContact CD2-CD1 3.85Å; L325-I327 HydrophobicContact CD2-CG1 4.02Å; L325-I327 HydrophobicContact CG-CD1 4.28Å; L325-I327 HydrophobicContact CG-CG1 3.91Å; I327-F329 HydrophobicContact CB-CE2 4.36Å; I327-F329 HydrophobicContact CB-CZ 4.45Å; I327-F329 HydrophobicContact CG2-CD2 4.48Å; I327-F329 HydrophobicContact CG2-CE1 4.03Å; I327-F329 HydrophobicContact CG2-CE2 3.75Å; I327-F329 HydrophobicContact CG2-CZ 3.49Å; I327-F329 VanDerWaalsContact CG2-CZ 3.49Å; I327-T364 CarbonylContact O-C 3.46Å; I327-T364 VanDerWaalsContact O-CA 3.29Å; I327-T364 WeakPolarHBondContact O-CA 3.4Å; I327-I365 PolarHBondContact N-O 2.85Å; I327-I365 PolarHBondContact O-N 3.42Å; I327-A367 HydrophobicContact CD1-CB 4.43Å; I327-C370 HydrophobicContact CD1-CB 3.5Å; I327-C370 VanDerWaalsContact CD1-CB 3.5Å; I327-C370 WeakPolarHBondContact CD1-SG 3.14Å |
| 328 | A | 92.1 | Very high | 85.1 | Confident | 2 Ų | 2 | 54.8 Ų | 54.8 | 2% | 0.017 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 131.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | I312 S313 L354 T364 | I312-A328 WeakPolarHBondContact CA-O 3.4Å; S313-A328 PolarHBondContact N-O 3.49Å; S313-A328 PolarHBondContact O-N 2.84Å; A328-L354 HydrophobicContact CB-CD2 3.82Å; A328-L354 HydrophobicContact CB-CG 4.11Å; A328-T364 HydrophobicContact CB-CG2 4.23Å |
| 329 | F | 92.4 | Very high | 85.6 | Confident | 1 Ų | 1 | 54.8 Ų | 54.8 | 0% | 0.004 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 129.9 | 173.5 | -57.7 | -81.1 | 0 | 0 | 0 | 109 | V246 L307 T309 I312 I327 A361 Q362 K363 I365 | V246-F329 HydrophobicContact CG1-CZ 4.23Å; V246-F329 HydrophobicContact CG2-CE1 3.91Å; V246-F329 HydrophobicContact CG2-CZ 3.85Å; L307-F329 HydrophobicContact CD1-CB 4.22Å; L307-F329 HydrophobicContact CD1-CD1 3.72Å; L307-F329 HydrophobicContact CD1-CE1 4.33Å; L307-F329 HydrophobicContact CD1-CG 4.05Å; L307-F329 HydrophobicContact CD2-CD1 3.81Å; L307-F329 HydrophobicContact CD2-CD2 3.93Å; L307-F329 HydrophobicContact CD2-CE1 3.91Å; L307-F329 HydrophobicContact CD2-CE2 4.05Å; L307-F329 HydrophobicContact CD2-CG 3.81Å; L307-F329 HydrophobicContact CD2-CZ 4.03Å; L307-F329 HydrophobicContact CG-CD1 4.39Å; T309-F329 HydrophobicContact CG2-CD1 4.26Å; I312-F329 HydrophobicContact CG1-CD1 4.23Å; I312-F329 HydrophobicContact CG1-CE1 4.49Å; I312-F329 HydrophobicContact CG2-CD1 4.12Å; I312-F329 HydrophobicContact CG2-CE1 3.94Å; I327-F329 HydrophobicContact CB-CE2 4.36Å; I327-F329 HydrophobicContact CB-CZ 4.45Å; I327-F329 HydrophobicContact CG2-CD2 4.48Å; I327-F329 HydrophobicContact CG2-CE1 4.03Å; I327-F329 HydrophobicContact CG2-CE2 3.75Å; I327-F329 HydrophobicContact CG2-CZ 3.49Å; I327-F329 VanDerWaalsContact CG2-CZ 3.49Å; F329-A361 CarbonylContact O-C 3.59Å; F329-A361 WeakPolarHBondContact O-CA 3.27Å; F329-Q362 PolarHBondContact O-N 2.91Å; F329-K363 HydrophobicContact CD2-CB 4.41Å; F329-K363 WeakPolarHBondContact CD2-O 3.46Å; F329-K363 PolarHBondContact N-O 2.89Å; F329-I365 HydrophobicContact CD2-CD1 4.47Å; F329-I365 HydrophobicContact CE2-CD1 3.61Å; F329-I365 HydrophobicContact CE2-CG1 4.04Å; F329-I365 HydrophobicContact CZ-CD1 4.39Å |
| 330 | G | 90.6 | Very high | 86.3 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | -69.7 | -177.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | T309 E311 L354 Q362 | T309-G330 WeakPolarHBondContact OG1-CA 3.47Å; T309-G330 PolarHBondContact OG1-N 3.37Å; T309-G330 PolarHBondContact OG1-O 2.96Å; E311-G330 PolarHBondContact O-N 3.43Å; G330-L354 VanDerWaalsContact N-CD2 3.35Å; G330-Q362 WeakPolarHBondContact O-CB 3.49Å; G330-Q362 PolarHBondContact O-OE1 3.49Å | ||
| 331 | P | 90.6 | Very high | 87 | Confident | 29 Ų | 29 | 53.5 Ų | 53.5 | 19% | 0.188 | 26% | 0.261 | C | S | . | . | trans | -70.4 | 150.6 | -179.4 | 31.7 | -33.6 | 0 | 0 | 0 | 111.6 | S310 F333 M334 S360 | S310-P331 PolarHBondContact N-O 2.88Å; S310-P331 PolarHBondContact OG-O 2.9Å; P331-F333 PolarHBondContact O-N 2.66Å; P331-M334 HydrophobicContact CG-CB 4.25Å; P331-M334 HydrophobicContact CG-CE 3.39Å; P331-M334 HydrophobicContact CG-CG 4.48Å; P331-S360 VanDerWaalsContact CD-O 3.32Å; P331-S360 WeakPolarHBondContact CD-O 3.36Å | ||
| 332 | E | 89.4 | Confident | 87.9 | Confident | 94 Ų | 94 | 46.4 Ų | 46.4 | 44% | 0.439 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -57.1 | -38 | 173.3 | 172.4 | 161.2 | -144.7 | 0 | 0 | 112.2 | N241 S308 | N241-E332 PolarHBondContact ND2-O 3.2Å; N241-E332 PolarHBondContact OD1-O 3.28Å; S308-E332 WeakPolarHBondContact CB-OE1 3.12Å; S308-E332 WeakPolarHBondContact O-CA 3.15Å; S308-E332 WeakPolarHBondContact O-CB 3.48Å; S308-E332 PolarHBondContact OG-OE1 3.43Å |
| 333 | F | 85.7 | Confident | 88.5 | Confident | 127 Ų | 127 | 42.5 Ų | 42.5 | 56% | 0.557 | 20% | 0.204 | S | C | * | . | trans | -137.2 | 137.8 | 175.7 | 174.7 | -97.4 | 0 | 0 | 0 | 109.6 | S238 P331 | S238-F333 WeakPolarHBondContact OG-CE2 3.27Å; P331-F333 PolarHBondContact O-N 2.66Å | ||
| 334 | M | 87.2 | Confident | 89.2 | Confident | 9 Ų | 9 | 46 Ų | 46 | 4% | 0.044 | 22% | 0.216 | C | C | . | . | trans | -125.1 | 116.9 | 176.3 | -162.4 | 177.4 | -71.5 | 0 | 0 | 108.3 | I209 P331 D338 Y339 | I209-M334 HydrophobicContact CD1-SD 4.12Å; P331-M334 HydrophobicContact CG-CB 4.25Å; P331-M334 HydrophobicContact CG-CE 3.39Å; P331-M334 HydrophobicContact CG-CG 4.48Å; M334-D338 HydrophobicContact CG-CB 3.77Å; M334-Y339 WeakPolarHBondContact SD-CA 3.43Å; M334-Y339 HydrophobicContact SD-CD2 4Å; M334-Y339 HydrophobicContact SD-CG 4.35Å | ||
| 335 | S | 87.6 | Confident | 89.3 | Confident | 33 Ų | 33 | 47.9 Ų | 47.9 | 23% | 0.231 | 22% | 0.222 | C | C | . | . | trans | -64.4 | 159.8 | 173.1 | 80.8 | 0 | 0 | 0 | 0 | 109.6 | W337 D338 Y339 | S335-W337 PolarHBondContact O-N 3.29Å; S335-W337 VanDerWaalsContact O-N 3.16Å; S335-W337 PolarHBondContact OG-N 3.2Å; S335-D338 VanDerWaalsContact CB-OD2 3.24Å; S335-D338 WeakPolarHBondContact CB-OD2 3.42Å; S335-D338 PolarHBondContact N-OD2 3.4Å; S335-D338 PolarHBondContact O-N 3.02Å; S335-D338 VanDerWaalsContact O-N 3.15Å; S335-D338 PolarHBondContact OG-N 2.79Å; S335-D338 VanDerWaalsContact OG-N 3.12Å; S335-D338 PolarHBondContact OG-OD2 3.39Å; S335-Y339 WeakPolarHBondContact O-CB 3.42Å; S335-Y339 PolarHBondContact O-N 2.87Å | ||
| 336 | K | 89.3 | Confident | 89.2 | Confident | 93 Ų | 93 | 48 Ų | 48 | 40% | 0.404 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -55.2 | -35.2 | 176.4 | -69.6 | -179.3 | 169.2 | -131.6 | 0 | 112.5 | A233 I234 H236 L340 | A233-K336 WeakPolarHBondContact O-CD 3.27Å; A233-K336 WeakPolarHBondContact O-CE 3.19Å; A233-K336 PolarHBondContact O-NZ 2.93Å; I234-K336 PolarHBondContact O-NZ 2.71Å; H236-K336 WeakPolarHBondContact O-CE 3.5Å; H236-K336 PolarHBondContact O-NZ 3.01Å; K336-L340 WeakPolarHBondContact O-CB 3.21Å; K336-L340 PolarHBondContact O-N 3.19Å; K336-L340 VanDerWaalsContact O-N 3.1Å |
| 337 | W | 89.5 | Confident | 88.9 | Confident | 188 Ų | 188 | 46.9 Ų | 46.9 | 71% | 0.712 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -73.1 | -45 | 178.4 | -72.8 | 118.1 | 0 | 0 | 0 | 111.5 | S335 Y339 L340 V341 | S335-W337 PolarHBondContact O-N 3.29Å; S335-W337 VanDerWaalsContact O-N 3.16Å; S335-W337 PolarHBondContact OG-N 3.2Å; W337-Y339 VanDerWaalsContact C-N 3.28Å; W337-Y339 PolarHBondContact O-N 3.28Å; W337-L340 HydrophobicContact CE3-CD2 4.11Å; W337-L340 HydrophobicContact CZ3-CD2 3.94Å; W337-L340 PolarHBondContact O-N 3.2Å; W337-L340 VanDerWaalsContact O-N 3.16Å; W337-V341 WeakPolarHBondContact O-CB 3.38Å; W337-V341 VanDerWaalsContact O-CG2 3.28Å; W337-V341 WeakPolarHBondContact O-CG2 3.47Å; W337-V341 PolarHBondContact O-N 3.04Å |
| 338 | D | 89 | Confident | 88.5 | Confident | 92 Ų | 92 | 49.1 Ų | 49.1 | 49% | 0.492 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.1 | -41.6 | 176.7 | -57.3 | -38.8 | 0 | 0 | 0 | 110.8 | M334 S335 L340 V341 E342 | M334-D338 HydrophobicContact CG-CB 3.77Å; S335-D338 VanDerWaalsContact CB-OD2 3.24Å; S335-D338 WeakPolarHBondContact CB-OD2 3.42Å; S335-D338 PolarHBondContact N-OD2 3.4Å; S335-D338 PolarHBondContact O-N 3.02Å; S335-D338 VanDerWaalsContact O-N 3.15Å; S335-D338 PolarHBondContact OG-N 2.79Å; S335-D338 VanDerWaalsContact OG-N 3.12Å; S335-D338 PolarHBondContact OG-OD2 3.39Å; D338-L340 PolarHBondContact O-N 2.94Å; D338-V341 PolarHBondContact O-N 2.83Å; D338-E342 WeakPolarHBondContact O-CB 3.38Å; D338-E342 PolarHBondContact O-N 2.78Å |
| 339 | Y | 88.3 | Confident | 87.9 | Confident | 16 Ų | 16 | 52.3 Ų | 52.3 | 6% | 0.063 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.4 | -48.4 | 173.5 | 173.3 | -90.1 | 0 | 0 | 0 | 112.1 | D208 I209 Y229 K232 A233 M334 S335 W337 E342 A343 | D208-Y339 HydrophobicContact CB-CE2 3.82Å; D208-Y339 PolarHBondContact O-OH 3.25Å; I209-Y339 HydrophobicContact CD1-CD2 3.78Å; I209-Y339 HydrophobicContact CD1-CE2 3.86Å; I209-Y339 HydrophobicContact CG1-CD2 3.74Å; I209-Y339 HydrophobicContact CG1-CE2 3.26Å; Y229-Y339 HydrophobicContact CD1-CE1 4.19Å; Y229-Y339 WeakPolarHBondContact CD1-OH 3.45Å; K232-Y339 WeakPolarHBondContact CD-OH 3.02Å; A233-Y339 HydrophobicContact CB-CD1 4.06Å; A233-Y339 HydrophobicContact CB-CE1 4.41Å; M334-Y339 WeakPolarHBondContact SD-CA 3.43Å; M334-Y339 HydrophobicContact SD-CD2 4Å; M334-Y339 HydrophobicContact SD-CG 4.35Å; S335-Y339 WeakPolarHBondContact O-CB 3.42Å; S335-Y339 PolarHBondContact O-N 2.87Å; W337-Y339 VanDerWaalsContact C-N 3.28Å; W337-Y339 PolarHBondContact O-N 3.28Å; Y339-E342 PolarHBondContact O-N 2.78Å; Y339-A343 WeakPolarHBondContact O-CB 3.12Å; Y339-A343 PolarHBondContact O-N 2.75Å |
| 340 | L | 89.9 | Confident | 87.1 | Confident | 7 Ų | 7 | 53.7 Ų | 53.7 | 4% | 0.037 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.7 | -46.5 | -179 | -175 | 66 | 0 | 0 | 0 | 111.6 | L230 A233 K336 W337 D338 E342 A343 W344 | L230-L340 HydrophobicContact CB-CD1 4.09Å; L230-L340 HydrophobicContact CD1-CD1 4.34Å; L230-L340 HydrophobicContact CD1-CD2 3.77Å; A233-L340 HydrophobicContact CB-CB 4.44Å; A233-L340 HydrophobicContact CB-CD1 4.43Å; K336-L340 WeakPolarHBondContact O-CB 3.21Å; K336-L340 PolarHBondContact O-N 3.19Å; K336-L340 VanDerWaalsContact O-N 3.1Å; W337-L340 HydrophobicContact CE3-CD2 4.11Å; W337-L340 HydrophobicContact CZ3-CD2 3.94Å; W337-L340 PolarHBondContact O-N 3.2Å; W337-L340 VanDerWaalsContact O-N 3.16Å; D338-L340 PolarHBondContact O-N 2.94Å; L340-E342 VanDerWaalsContact C-N 3.33Å; L340-E342 PolarHBondContact O-N 3.38Å; L340-A343 PolarHBondContact O-N 2.89Å; L340-W344 HydrophobicContact CD1-CD2 4.27Å; L340-W344 HydrophobicContact CD1-CZ2 3.88Å; L340-W344 VanDerWaalsContact CD1-NE1 3.32Å; L340-W344 HydrophobicContact CD2-CH2 4.21Å; L340-W344 HydrophobicContact CD2-CZ2 4.05Å; L340-W344 HydrophobicContact CG-CD2 4.19Å; L340-W344 HydrophobicContact CG-CZ2 4.08Å; L340-W344 WeakPolarHBondContact O-CB 3.28Å; L340-W344 VanDerWaalsContact O-CG 3.29Å; L340-W344 PolarHBondContact O-N 2.67Å |
| 341 | V | 90.4 | Very high | 86.4 | Confident | 93 Ų | 93 | 56.7 Ų | 56.7 | 56% | 0.564 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -59.9 | -46.5 | 178.5 | 170.5 | 0 | 0 | 0 | 0 | 109.9 | W337 D338 W344 R345 | W337-V341 WeakPolarHBondContact O-CB 3.38Å; W337-V341 VanDerWaalsContact O-CG2 3.28Å; W337-V341 WeakPolarHBondContact O-CG2 3.47Å; W337-V341 PolarHBondContact O-N 3.04Å; D338-V341 PolarHBondContact O-N 2.83Å; V341-W344 PolarHBondContact O-N 3.35Å; V341-R345 WeakPolarHBondContact O-CB 3.44Å; V341-R345 PolarHBondContact O-N 3.01Å |
| 342 | E | 88.3 | Confident | 85.4 | Confident | 13 Ų | 13 | 56 Ų | 56 | 6% | 0.061 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.8 | -47.4 | 179 | 179.3 | 59.6 | -172.4 | 0 | 0 | 112 | I209 D338 Y339 L340 W344 R345 R346 S360 | I209-E342 HydrophobicContact CD1-CB 4.26Å; I209-E342 HydrophobicContact CD1-CG 3.87Å; D338-E342 WeakPolarHBondContact O-CB 3.38Å; D338-E342 PolarHBondContact O-N 2.78Å; Y339-E342 PolarHBondContact O-N 2.78Å; L340-E342 VanDerWaalsContact C-N 3.33Å; L340-E342 PolarHBondContact O-N 3.38Å; E342-W344 VanDerWaalsContact C-N 3.32Å; E342-W344 PolarHBondContact O-N 3.34Å; E342-R345 VanDerWaalsContact CD-NH2 3.27Å; E342-R345 WeakPolarHBondContact O-CB 3.36Å; E342-R345 PolarHBondContact O-N 3.3Å; E342-R345 IonicContact OE1-CZ 2.87Å; E342-R345 IonicContact OE1-NE 3.6Å; E342-R345 IonicContact OE1-NH2 3.56Å; E342-R345 PolarHBondContact OE1-NH2 3.09Å; E342-R345 IonicContact OE2-CZ 3.68Å; E342-R345 VanDerWaalsContact OE2-CZ 3.3Å; E342-R345 IonicContact OE2-NE 3.41Å; E342-R345 PolarHBondContact OE2-NE 2.8Å; E342-R345 IonicContact OE2-NH2 2.71Å; E342-R345 PolarHBondContact OE2-NH2 3.06Å; E342-R346 WeakPolarHBondContact O-CG 3.43Å; E342-R346 PolarHBondContact O-N 2.82Å; E342-R346 IonicContact OE1-CZ 3.41Å; E342-R346 IonicContact OE1-NE 2.7Å; E342-R346 PolarHBondContact OE1-NE 3.03Å; E342-R346 IonicContact OE1-NH2 2.87Å; E342-R346 PolarHBondContact OE1-NH2 2.76Å; E342-R346 VanDerWaalsContact OE1-NH2 3.07Å; E342-S360 PolarHBondContact OE1-OG 3.39Å |
| 343 | A | 87.7 | Confident | 84.8 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.9 | -41.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | I209 Y229 Y339 L340 R346 V347 | I209-A343 HydrophobicContact CD1-CB 4.37Å; I209-A343 HydrophobicContact CG1-CB 4.41Å; I209-A343 HydrophobicContact CG2-CB 4.05Å; Y229-A343 HydrophobicContact CD1-CB 3.65Å; Y229-A343 HydrophobicContact CD2-CB 3.76Å; Y229-A343 HydrophobicContact CE1-CB 4.04Å; Y229-A343 HydrophobicContact CE2-CB 4.14Å; Y229-A343 HydrophobicContact CG-CB 3.5Å; Y229-A343 VanDerWaalsContact CG-CB 3.5Å; Y339-A343 WeakPolarHBondContact O-CB 3.12Å; Y339-A343 PolarHBondContact O-N 2.75Å; L340-A343 PolarHBondContact O-N 2.89Å; A343-R346 PolarHBondContact O-N 3.17Å; A343-V347 VanDerWaalsContact O-CG2 3.3Å; A343-V347 WeakPolarHBondContact O-CG2 3.41Å; A343-V347 PolarHBondContact O-N 3.07Å |
| 344 | W | 89.3 | Confident | 84 | Confident | 86 Ų | 86 | 46.1 Ų | 46.1 | 33% | 0.326 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -68.3 | -34.9 | 176 | -74.7 | 9.7 | 0 | 0 | 0 | 112.9 | R226 L230 L340 V341 E342 S348 | R226-W344 VanDerWaalsContact CA-NE1 3.31Å; R226-W344 HydrophobicContact CB-CD2 4.44Å; R226-W344 HydrophobicContact CB-CG 4.42Å; R226-W344 HydrophobicContact CB-CZ2 4.35Å; R226-W344 HydrophobicContact CG-CD2 4.15Å; R226-W344 HydrophobicContact CG-CG 3.83Å; R226-W344 PolarHBondContact O-NE1 3.4Å; L230-W344 HydrophobicContact CB-CZ2 4.37Å; L340-W344 HydrophobicContact CD1-CD2 4.27Å; L340-W344 HydrophobicContact CD1-CZ2 3.88Å; L340-W344 VanDerWaalsContact CD1-NE1 3.32Å; L340-W344 HydrophobicContact CD2-CH2 4.21Å; L340-W344 HydrophobicContact CD2-CZ2 4.05Å; L340-W344 HydrophobicContact CG-CD2 4.19Å; L340-W344 HydrophobicContact CG-CZ2 4.08Å; L340-W344 WeakPolarHBondContact O-CB 3.28Å; L340-W344 VanDerWaalsContact O-CG 3.29Å; L340-W344 PolarHBondContact O-N 2.67Å; V341-W344 PolarHBondContact O-N 3.35Å; E342-W344 VanDerWaalsContact C-N 3.32Å; E342-W344 PolarHBondContact O-N 3.34Å; W344-S348 WeakPolarHBondContact O-CB 3.36Å; W344-S348 PolarHBondContact O-N 2.69Å; W344-S348 PolarHBondContact O-OG 3.07Å |
| 345 | R | 89 | Confident | 82.9 | Confident | 84 Ų | 84 | 47.6 Ų | 47.6 | 32% | 0.317 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.3 | -47.9 | 172.5 | -171.8 | -176.9 | 71.6 | 89.7 | 3.6 | 110.3 | V341 E342 S348 S349 | V341-R345 WeakPolarHBondContact O-CB 3.44Å; V341-R345 PolarHBondContact O-N 3.01Å; E342-R345 VanDerWaalsContact CD-NH2 3.27Å; E342-R345 WeakPolarHBondContact O-CB 3.36Å; E342-R345 PolarHBondContact O-N 3.3Å; E342-R345 IonicContact OE1-CZ 2.87Å; E342-R345 IonicContact OE1-NE 3.6Å; E342-R345 IonicContact OE1-NH2 3.56Å; E342-R345 PolarHBondContact OE1-NH2 3.09Å; E342-R345 IonicContact OE2-CZ 3.68Å; E342-R345 VanDerWaalsContact OE2-CZ 3.3Å; E342-R345 IonicContact OE2-NE 3.41Å; E342-R345 PolarHBondContact OE2-NE 2.8Å; E342-R345 IonicContact OE2-NH2 2.71Å; E342-R345 PolarHBondContact OE2-NH2 3.06Å; R345-S348 WeakPolarHBondContact O-CB 3.13Å; R345-S348 PolarHBondContact O-N 2.91Å; R345-S348 VanDerWaalsContact O-N 3.09Å; R345-S349 PolarHBondContact O-N 2.95Å; R345-S349 PolarHBondContact O-OG 2.86Å |
| 346 | R | 85.2 | Confident | 81.6 | Confident | 4 Ų | 4 | 48.8 Ų | 48.8 | 2% | 0.015 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.5 | -41.6 | 177.9 | -68.7 | -166.4 | -157.6 | 170.5 | 3.6 | 113.8 | E311 E342 A343 S348 S349 G350 N351 P352 | E311-R346 IonicContact OE1-CZ 3.16Å; E311-R346 IonicContact OE1-NH1 3.04Å; E311-R346 PolarHBondContact OE1-NH1 2.7Å; E311-R346 IonicContact OE1-NH2 2.93Å; E311-R346 IonicContact OE2-CZ 2.55Å; E311-R346 IonicContact OE2-NH1 2.86Å; E311-R346 PolarHBondContact OE2-NH1 2.76Å; E311-R346 IonicContact OE2-NH2 3.19Å; E311-R346 PolarHBondContact OE2-NH2 3.42Å; E342-R346 WeakPolarHBondContact O-CG 3.43Å; E342-R346 PolarHBondContact O-N 2.82Å; E342-R346 IonicContact OE1-CZ 3.41Å; E342-R346 IonicContact OE1-NE 2.7Å; E342-R346 PolarHBondContact OE1-NE 3.03Å; E342-R346 IonicContact OE1-NH2 2.87Å; E342-R346 PolarHBondContact OE1-NH2 2.76Å; E342-R346 VanDerWaalsContact OE1-NH2 3.07Å; A343-R346 PolarHBondContact O-N 3.17Å; R346-S348 PolarHBondContact O-N 3.06Å; R346-S349 WeakPolarHBondContact CA-OG 3.02Å; R346-S349 PolarHBondContact O-N 2.86Å; R346-S349 PolarHBondContact O-OG 3.45Å; R346-S349 VanDerWaalsContact O-OG 3.04Å; R346-G350 PolarHBondContact O-N 3.43Å; R346-N351 VanDerWaalsContact CB-O 3.27Å; R346-N351 WeakPolarHBondContact CB-O 3.45Å; R346-N351 PolarHBondContact O-N 2.96Å; R346-P352 WeakPolarHBondContact CD-O 3.2Å; R346-P352 PolarHBondContact NH1-O 3.15Å |
| 347 | V | 83.4 | Confident | 80.5 | Confident | 11 Ų | 11 | 53 Ų | 53 | 7% | 0.067 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.3 | -35.2 | 171.6 | 167.2 | 0 | 0 | 0 | 0 | 111.6 | K222 E225 R226 Y229 A343 | K222-V347 HydrophobicContact CB-CG1 4.27Å; K222-V347 HydrophobicContact CG-CG1 4.29Å; E225-V347 HydrophobicContact CB-CG1 4.01Å; E225-V347 HydrophobicContact CB-CG2 3.84Å; E225-V347 WeakPolarHBondContact OE2-CG1 3.12Å; R226-V347 HydrophobicContact CG-CG1 4.29Å; Y229-V347 HydrophobicContact CD2-CG2 3.95Å; Y229-V347 HydrophobicContact CE2-CG2 3.57Å; A343-V347 VanDerWaalsContact O-CG2 3.3Å; A343-V347 WeakPolarHBondContact O-CG2 3.41Å; A343-V347 PolarHBondContact O-N 3.07Å |
| 348 | S | 83.4 | Confident | 79.5 | Confident | 49 Ų | 49 | 44.6 Ų | 44.6 | 34% | 0.343 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -76.8 | -40.8 | -178.2 | -56.3 | 0 | 0 | 0 | 0 | 112.1 | R226 W344 R345 R346 G350 | R226-S348 PolarHBondContact NH2-OG 3.35Å; W344-S348 WeakPolarHBondContact O-CB 3.36Å; W344-S348 PolarHBondContact O-N 2.69Å; W344-S348 PolarHBondContact O-OG 3.07Å; R345-S348 WeakPolarHBondContact O-CB 3.13Å; R345-S348 PolarHBondContact O-N 2.91Å; R345-S348 VanDerWaalsContact O-N 3.09Å; R346-S348 PolarHBondContact O-N 3.06Å; S348-G350 VanDerWaalsContact C-N 3.31Å |
| 349 | S | 80 | Confident | 78.6 | Confident | 69 Ų | 69 | 46.1 Ų | 46.1 | 48% | 0.483 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -71.1 | -27 | 174.7 | 64.6 | 0 | 0 | 0 | 0 | 112.5 | R345 R346 N351 | R345-S349 PolarHBondContact O-N 2.95Å; R345-S349 PolarHBondContact O-OG 2.86Å; R346-S349 WeakPolarHBondContact CA-OG 3.02Å; R346-S349 PolarHBondContact O-N 2.86Å; R346-S349 PolarHBondContact O-OG 3.45Å; R346-S349 VanDerWaalsContact O-OG 3.04Å; S349-N351 VanDerWaalsContact C-N 3.27Å; S349-N351 PolarHBondContact OG-N 3.33Å |
| 350 | G | 75.7 | Confident | 78 | Confident | 31 Ų | 31 | 46.3 Ų | 46.3 | 32% | 0.32 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.2 | 3.3 | -174 | 0 | 0 | 0 | 0 | 0 | 113.6 | R346 S348 P352 | R346-G350 PolarHBondContact O-N 3.43Å; S348-G350 VanDerWaalsContact C-N 3.31Å; G350-P352 WeakPolarHBondContact O-CD 3.32Å |
| 351 | N | 74.8 | Confident | 77.4 | Confident | 62 Ų | 62 | 47.2 Ų | 47.2 | 33% | 0.332 | 27% | 0.273 | S | S | . | . | trans | -104.1 | 103.4 | 176 | -72 | -23.4 | 0 | 0 | 0 | 108.9 | R346 S349 Y353 | R346-N351 VanDerWaalsContact CB-O 3.27Å; R346-N351 WeakPolarHBondContact CB-O 3.45Å; R346-N351 PolarHBondContact O-N 2.96Å; S349-N351 VanDerWaalsContact C-N 3.27Å; S349-N351 PolarHBondContact OG-N 3.33Å; N351-Y353 VanDerWaalsContact C-N 3.26Å; N351-Y353 PolarHBondContact O-N 3.22Å | ||
| 352 | P | 70.8 | Confident | 77.2 | Confident | 15 Ų | 15 | 48.2 Ų | 48.2 | 10% | 0.097 | 27% | 0.272 | C | S | . | . | trans | -71.5 | -20.8 | -176.3 | 28 | -34.1 | 0 | 0 | 0 | 113.4 | R346 G350 | R346-P352 WeakPolarHBondContact CD-O 3.2Å; R346-P352 PolarHBondContact NH1-O 3.15Å; G350-P352 WeakPolarHBondContact O-CD 3.32Å | ||
| 353 | Y | 75.7 | Confident | 77.2 | Confident | 14 Ų | 14 | 51.7 Ų | 51.7 | 6% | 0.055 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -98.2 | 153.7 | -171.4 | -48.3 | -58.2 | 0 | 0 | 0 | 113.4 | H154 C203 H205 F315 N351 T355 | H154-Y353 AromaticContact CD2-CD2 3.62Å; H154-Y353 AromaticContact CD2-CE2 3.25Å; H154-Y353 WeakPolarHBondContact CD2-CE2 3.28Å; H154-Y353 AromaticContact CE1-CD2 3.6Å; H154-Y353 AromaticContact NE2-CD2 3.16Å; H154-Y353 WeakPolarHBondContact NE2-CD2 3.46Å; H154-Y353 AromaticContact NE2-CE2 3.17Å; H154-Y353 WeakPolarHBondContact NE2-CE2 3.44Å; C203-Y353 VanDerWaalsContact SG-CE2 3.52Å; H205-Y353 HydrophobicContact CB-CD1 3.73Å; H205-Y353 HydrophobicContact CB-CE1 3.9Å; H205-Y353 AromaticContact CG-CD1 3.57Å; H205-Y353 AromaticContact ND1-CD1 3.77Å; F315-Y353 HydrophobicContact CE1-CD2 4.25Å; F315-Y353 HydrophobicContact CE1-CG 4.27Å; N351-Y353 VanDerWaalsContact C-N 3.26Å; N351-Y353 PolarHBondContact O-N 3.22Å; Y353-T355 PolarHBondContact O-N 3.43Å |
| 354 | L | 69.3 | Low | 77.3 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | trans | -73.2 | 102.5 | 174.8 | -175.8 | 79.3 | 0 | 0 | 0 | 109.8 | S313 F315 A328 G330 S360 A361 | S313-L354 WeakPolarHBondContact CB-O 3.19Å; F315-L354 WeakPolarHBondContact CE2-O 3.5Å; F315-L354 WeakPolarHBondContact CZ-O 3.43Å; A328-L354 HydrophobicContact CB-CD2 3.82Å; A328-L354 HydrophobicContact CB-CG 4.11Å; G330-L354 VanDerWaalsContact N-CD2 3.35Å; L354-S360 WeakPolarHBondContact CD1-OG 2.95Å; L354-A361 HydrophobicContact CD1-CB 4.31Å; L354-A361 HydrophobicContact CD2-CB 4.31Å; L354-A361 HydrophobicContact CG-CB 4.33Å | ||
| 355 | T | 63.9 | Low | 77.5 | Confident | 40 Ų | 40 | 51.3 Ų | 51.3 | 25% | 0.245 | 29% | 0.293 | C | S | . | . | trans | -84.2 | 164.9 | 174.1 | 59.5 | 0 | 0 | 0 | 0 | 111.5 | Y353 E357 S358 | Y353-T355 PolarHBondContact O-N 3.43Å; T355-E357 PolarHBondContact O-N 3.31Å; T355-E357 VanDerWaalsContact O-N 3.12Å; T355-S358 PolarHBondContact N-OG 3.16Å; T355-S358 WeakPolarHBondContact O-CB 3.44Å; T355-S358 PolarHBondContact O-N 2.9Å; T355-S358 PolarHBondContact O-OG 3.1Å; T355-S358 PolarHBondContact OG1-N 3.47Å; T355-S358 PolarHBondContact OG1-OG 2.87Å; T355-S358 VanDerWaalsContact OG1-OG 3.07Å | ||
| 356 | A | 60.9 | Low | 77.5 | Confident | 57 Ų | 57 | 50.8 Ų | 50.8 | 47% | 0.471 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -23.8 | 173 | 0 | 0 | 0 | 0 | 0 | 113.3 | S358 T364 | A356-S358 VanDerWaalsContact C-N 3.34Å; A356-T364 HydrophobicContact CB-CG2 3.74Å |
| 357 | E | 65.7 | Low | 77.7 | Confident | 183 Ų | 183 | 50.6 Ų | 50.6 | 86% | 0.855 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -4.2 | 176.8 | -60.7 | 173.9 | 178.9 | 0 | 0 | 113.1 | T355 T359 | T355-E357 PolarHBondContact O-N 3.31Å; T355-E357 VanDerWaalsContact O-N 3.12Å; E357-T359 PolarHBondContact O-N 3.44Å |
| 358 | S | 69.5 | Low | 77.8 | Confident | 11 Ų | 11 | 51.5 Ų | 51.5 | 8% | 0.077 | 30% | 0.303 | C | S | . | . | trans | -71.8 | 128.5 | 180 | -67.8 | 0 | 0 | 0 | 0 | 110.1 | T355 A356 S360 A361 | T355-S358 PolarHBondContact N-OG 3.16Å; T355-S358 WeakPolarHBondContact O-CB 3.44Å; T355-S358 PolarHBondContact O-N 2.9Å; T355-S358 PolarHBondContact O-OG 3.1Å; T355-S358 PolarHBondContact OG1-N 3.47Å; T355-S358 PolarHBondContact OG1-OG 2.87Å; T355-S358 VanDerWaalsContact OG1-OG 3.07Å; A356-S358 VanDerWaalsContact C-N 3.34Å; S358-S360 PolarHBondContact O-N 3.12Å; S358-A361 WeakPolarHBondContact O-CB 3.41Å; S358-A361 PolarHBondContact O-N 3.16Å | ||
| 359 | T | 69.8 | Low | 77.9 | Confident | 124 Ų | 124 | 51.3 Ų | 51.3 | 76% | 0.761 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -17.9 | 177.6 | 49.2 | 0 | 0 | 0 | 0 | 114 | E357 | E357-T359 PolarHBondContact O-N 3.44Š|
| 360 | S | 75 | Confident | 78.3 | Confident | 20 Ų | 20 | 48.1 Ų | 48.1 | 14% | 0.14 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -8.5 | 177.6 | 48.3 | 0 | 0 | 0 | 0 | 113.5 | P331 E342 L354 S358 Q362 | P331-S360 VanDerWaalsContact CD-O 3.32Å; P331-S360 WeakPolarHBondContact CD-O 3.36Å; E342-S360 PolarHBondContact OE1-OG 3.39Å; L354-S360 WeakPolarHBondContact CD1-OG 2.95Å; S358-S360 PolarHBondContact O-N 3.12Å; S360-Q362 PolarHBondContact O-N 3.15Å |
| 361 | A | 77 | Confident | 78.9 | Confident | 26 Ų | 26 | 49.3 Ų | 49.3 | 22% | 0.215 | 27% | 0.273 | C | S | . | . | trans | -72.2 | 116.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | F329 L354 S358 T364 | F329-A361 CarbonylContact O-C 3.59Å; F329-A361 WeakPolarHBondContact O-CA 3.27Å; L354-A361 HydrophobicContact CD1-CB 4.31Å; L354-A361 HydrophobicContact CD2-CB 4.31Å; L354-A361 HydrophobicContact CG-CB 4.33Å; S358-A361 WeakPolarHBondContact O-CB 3.41Å; S358-A361 PolarHBondContact O-N 3.16Å; A361-T364 HydrophobicContact CB-CG2 4.23Å | ||
| 362 | Q | 85.9 | Confident | 79.5 | Confident | 113 Ų | 113 | 46.8 Ų | 46.8 | 53% | 0.528 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -74.9 | -37.6 | 176.5 | 179.5 | 176.8 | 0.1 | 0 | 0 | 111.1 | F329 G330 S360 | F329-Q362 PolarHBondContact O-N 2.91Å; G330-Q362 WeakPolarHBondContact O-CB 3.49Å; G330-Q362 PolarHBondContact O-OE1 3.49Å; S360-Q362 PolarHBondContact O-N 3.15Å |
| 363 | K | 89.1 | Confident | 80.2 | Confident | 86 Ų | 86 | 47.1 Ų | 47.1 | 37% | 0.374 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 139.5 | -179.1 | -172.1 | 164.4 | 177 | 176.6 | 0 | 110.5 | L305 F329 I365 | L305-K363 HydrophobicContact CD2-CD 3.85Å; F329-K363 HydrophobicContact CD2-CB 4.41Å; F329-K363 WeakPolarHBondContact CD2-O 3.46Å; F329-K363 PolarHBondContact N-O 2.89Å; K363-I365 HydrophobicContact CG-CG1 4.36Å |
| 364 | T | 90.6 | Very high | 80.4 | Confident | 68 Ų | 68 | 47.4 Ų | 47.4 | 42% | 0.417 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 143 | 173.2 | 53.6 | 0 | 0 | 0 | 0 | 109.1 | I327 A328 A356 A361 | I327-T364 CarbonylContact O-C 3.46Å; I327-T364 VanDerWaalsContact O-CA 3.29Å; I327-T364 WeakPolarHBondContact O-CA 3.4Å; A328-T364 HydrophobicContact CB-CG2 4.23Å; A356-T364 HydrophobicContact CB-CG2 3.74Å; A361-T364 HydrophobicContact CB-CG2 4.23Å |
| 365 | I | 92 | Very high | 80.8 | Confident | 10 Ų | 10 | 50.4 Ų | 50.4 | 5% | 0.051 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 133.4 | 179.7 | -56.5 | 178.6 | 0 | 0 | 0 | 107.8 | Y248 L305 I327 F329 K363 | Y248-I365 HydrophobicContact CD1-CD1 4.14Å; Y248-I365 HydrophobicContact CD1-CG2 4.23Å; Y248-I365 HydrophobicContact CD2-CG2 3.45Å; Y248-I365 VanDerWaalsContact CD2-CG2 3.45Å; Y248-I365 HydrophobicContact CE1-CD1 3.82Å; Y248-I365 HydrophobicContact CE1-CG2 4.13Å; Y248-I365 HydrophobicContact CE2-CG2 3.34Å; Y248-I365 HydrophobicContact CG-CG2 3.91Å; L305-I365 HydrophobicContact CD2-CD1 3.47Å; L305-I365 VanDerWaalsContact CD2-CD1 3.47Å; I327-I365 PolarHBondContact N-O 2.85Å; I327-I365 PolarHBondContact O-N 3.42Å; F329-I365 HydrophobicContact CD2-CD1 4.47Å; F329-I365 HydrophobicContact CE2-CD1 3.61Å; F329-I365 HydrophobicContact CE2-CG1 4.04Å; F329-I365 HydrophobicContact CZ-CD1 4.39Å; K363-I365 HydrophobicContact CG-CG1 4.36Å |
| 366 | D | 90.8 | Very high | 80.6 | Confident | 73 Ų | 73 | 50.2 Ų | 50.2 | 39% | 0.39 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 129.7 | 166.2 | -64.3 | -13.9 | 0 | 0 | 0 | 107.9 | P251 L325 N326 | P251-D366 WeakPolarHBondContact CD-O 3.44Å; P251-D366 HydrophobicContact CG-CB 4.02Å; L325-D366 CarbonylContact O-C 3.53Å; L325-D366 WeakPolarHBondContact O-CA 3.38Å; N326-D366 PolarHBondContact OD1-OD1 2.76Å; N326-D366 VanDerWaalsContact OD1-OD1 3.11Å |
| 367 | A | 88.5 | Confident | 80.6 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 142.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y248 A249 L325 I327 C370 | Y248-A367 HydrophobicContact CD2-CB 4.29Å; A249-A367 CarbonylContact O-C 3.55Å; A249-A367 WeakPolarHBondContact O-CA 2.91Å; L325-A367 VanDerWaalsContact CB-O 3.3Å; L325-A367 WeakPolarHBondContact CB-O 3.43Å; L325-A367 PolarHBondContact N-O 3.17Å; L325-A367 PolarHBondContact O-N 3.17Å; I327-A367 HydrophobicContact CD1-CB 4.43Å; A367-C370 HydrophobicContact CB-CB 4.36Å |
| 368 | S | 85.8 | Confident | 79.9 | Confident | 30 Ų | 30 | 50.1 Ų | 50.1 | 21% | 0.21 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -87.8 | -26.6 | 167.2 | 54.6 | 0 | 0 | 0 | 0 | 112.5 | A249 E250 P483 | A249-S368 PolarHBondContact O-N 3.23Å; A249-S368 PolarHBondContact O-OG 3.24Å; E250-S368 PolarHBondContact O-OG 2.85Å; S368-P483 WeakPolarHBondContact O-CD 3.32Å; S368-P483 WeakPolarHBondContact O-CG 3.24Å |
| 369 | E | 85.5 | Confident | 79.1 | Confident | 46 Ų | 46 | 51 Ų | 51 | 22% | 0.215 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 147.7 | 163.8 | 58.6 | 164.3 | -167.1 | 0 | 0 | 109.4 | Y248 A249 K302 K480 V482 | Y248-E369 CarbonylContact C-O 3.57Å; Y248-E369 WeakPolarHBondContact CA-O 3.45Å; Y248-E369 WeakPolarHBondContact CB-O 3.12Å; A249-E369 HydrophobicContact CB-CG 3.72Å; A249-E369 PolarHBondContact N-O 2.67Å; K302-E369 WeakPolarHBondContact CE-OE1 3.47Å; E369-K480 VanDerWaalsContact OE2-CE 3.32Å; E369-K480 WeakPolarHBondContact OE2-CE 3.24Å; E369-K480 IonicContact OE2-NZ 2.71Å; E369-K480 PolarHBondContact OE2-NZ 3.34Å; E369-V482 HydrophobicContact CB-CG2 4.26Å |
| 370 | C | 88 | Confident | 78 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.007 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 133 | 177.2 | -178.2 | 0 | 0 | 0 | 0 | 110.9 | A247 L325 I327 A367 K480 M481 | A247-C370 CarbonylContact O-C 3.59Å; L325-C370 HydrophobicContact CD2-CB 4.15Å; I327-C370 HydrophobicContact CD1-CB 3.5Å; I327-C370 VanDerWaalsContact CD1-CB 3.5Å; I327-C370 WeakPolarHBondContact CD1-SG 3.14Å; A367-C370 HydrophobicContact CB-CB 4.36Å; C370-K480 CarbonylContact O-C 3.45Å; C370-M481 PolarHBondContact N-O 2.82Å; C370-M481 PolarHBondContact O-N 3.07Å |
| 371 | L | 88.6 | Confident | 76.5 | Confident | 57 Ų | 57 | 53.6 Ų | 53.6 | 30% | 0.298 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 116.6 | 171.7 | -179.2 | 72.9 | 0 | 0 | 0 | 108 | V246 A247 R478 V479 K480 | V246-L371 CarbonylContact C-O 3.55Å; V246-L371 WeakPolarHBondContact CA-O 3.37Å; A247-L371 HydrophobicContact CB-CB 4.36Å; A247-L371 PolarHBondContact N-O 3.04Å; A247-L371 PolarHBondContact O-N 2.68Å; L371-R478 HydrophobicContact CD1-CB 4.25Å; L371-V479 CarbonylContact C-O 3.54Å; L371-V479 WeakPolarHBondContact CA-O 2.86Å; L371-K480 HydrophobicContact CD1-CB 3.78Å; L371-K480 HydrophobicContact CD1-CG 4.24Å |
| 372 | I | 87.1 | Confident | 74.5 | Confident | 9 Ų | 9 | 63.2 Ų | 63.2 | 5% | 0.046 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 121 | 177 | -54.9 | -176.1 | 0 | 0 | 0 | 108.2 | L244 V246 I312 R478 V479 M481 | L244-I372 HydrophobicContact CD2-CG2 3.68Å; V246-I372 HydrophobicContact CG1-CG1 4.49Å; V246-I372 HydrophobicContact CG2-CG1 4.46Å; I312-I372 HydrophobicContact CD1-CG2 4.49Å; I312-I372 HydrophobicContact CG2-CD1 4.26Å; I372-R478 WeakPolarHBondContact O-CA 3.32Å; I372-V479 PolarHBondContact N-O 3.4Å; I372-V479 PolarHBondContact O-N 3.04Å; I372-M481 HydrophobicContact CD1-CE 3.57Å; I372-M481 HydrophobicContact CG1-CE 4.25Å |
| 373 | E | 85.1 | Confident | 72.1 | Confident | 22 Ų | 22 | 68.4 Ų | 68.4 | 10% | 0.103 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 118.9 | 174.5 | -172.2 | 169.1 | -145.5 | 0 | 0 | 109.9 | S245 K476 R478 | S245-E373 PolarHBondContact N-O 3.28Å; S245-E373 PolarHBondContact O-N 2.71Å; E373-K476 HydrophobicContact CG-CB 4.33Å; E373-K476 HydrophobicContact CG-CD 4.38Å; E373-K476 WeakPolarHBondContact OE1-CB 3.41Å; E373-K476 WeakPolarHBondContact OE1-CD 3.37Å; E373-R478 HydrophobicContact CB-CG 4.24Å; E373-R478 HydrophobicContact CG-CG 3.85Å; E373-R478 IonicContact OE1-CZ 2.83Å; E373-R478 IonicContact OE1-NE 3.26Å; E373-R478 PolarHBondContact OE1-NE 3.07Å; E373-R478 IonicContact OE1-NH2 2.73Å; E373-R478 PolarHBondContact OE1-NH2 3.34Å; E373-R478 IonicContact OE2-NH2 3.22Å |
| 374 | L | 80.7 | Confident | 69.2 | Low | 19 Ų | 19 | 70.3 Ų | 70.3 | 10% | 0.099 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 122.9 | 175.6 | -78 | 159 | 0 | 0 | 0 | 109.6 | F242 L244 I397 A477 | F242-L374 HydrophobicContact CB-CD2 4.33Å; F242-L374 HydrophobicContact CD1-CD2 4.42Å; L244-L374 HydrophobicContact CD2-CD2 3.3Å; L244-L374 HydrophobicContact CD2-CG 3.86Å; L244-L374 HydrophobicContact CG-CD2 4.39Å; L374-I397 HydrophobicContact CD1-CB 4.21Å; L374-I397 HydrophobicContact CD1-CD1 4.03Å; L374-I397 HydrophobicContact CD1-CG2 3.82Å; L374-A477 PolarHBondContact N-O 3.06Å |
| 375 | Q | 77.1 | Confident | 66.1 | Low | 63 Ų | 63 | 73.1 Ų | 73.1 | 29% | 0.294 | 37% | 0.365 | S | S | . | . | trans | -75.5 | 137.3 | 179.7 | -66.3 | -68.3 | -16 | 0 | 0 | 111.1 | H243 K377 N378 | H243-Q375 HydrophobicContact CB-CB 4.29Å; H243-Q375 WeakPolarHBondContact O-CB 3.45Å; H243-Q375 PolarHBondContact O-N 3.11Å; H243-Q375 VanDerWaalsContact O-N 3.09Å; Q375-K377 PolarHBondContact O-N 3.47Å; Q375-N378 PolarHBondContact O-N 2.91Å | ||
| 376 | P | 59.3 | Low | 63.2 | Low | 37 Ų | 37 | 78 Ų | 78 | 24% | 0.24 | 39% | 0.386 | C | S | . | . | G | 310 helix | trans | -64.9 | -16.9 | -171 | 19.8 | -29.5 | 0 | 0 | 0 | 114.8 | N378 L379 P474 K476 | P376-N378 PolarHBondContact O-N 3.12Å; P376-N378 VanDerWaalsContact O-N 3.15Å; P376-L379 HydrophobicContact CB-CD1 4.06Å; P376-L379 PolarHBondContact O-N 3.15Å; P376-P474 HydrophobicContact CB-CB 4.14Å; P376-P474 HydrophobicContact CB-CG 3.83Å; P376-K476 HydrophobicContact CG-CG 4.49Å |
| 377 | K | 60.5 | Low | 60.2 | Low | 193 Ų | 193 | 79.3 Ų | 79.3 | 84% | 0.839 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -62.2 | -20.7 | -177.3 | -73.4 | -174.3 | 176.8 | -179.8 | 0 | 113.7 | Q375 | Q375-K377 PolarHBondContact O-N 3.47Š|
| 378 | N | 53 | Low | 57.2 | Low | 45 Ų | 45 | 86.1 Ų | 86.1 | 24% | 0.241 | 44% | 0.437 | C | S | . | . | G | 310 helix | trans | -120.1 | 18.9 | -176.9 | -58.5 | -4.4 | 0 | 0 | 0 | 112.9 | N241 H243 Q375 P376 P380 | N241-N378 PolarHBondContact O-ND2 3.34Å; H243-N378 PolarHBondContact CD2-ND2 3.31Å; H243-N378 PolarHBondContact N-ND2 3.32Å; Q375-N378 PolarHBondContact O-N 2.91Å; P376-N378 PolarHBondContact O-N 3.12Å; P376-N378 VanDerWaalsContact O-N 3.15Å; N378-P380 WeakPolarHBondContact O-CD 3.14Å |
| 379 | L | 51.5 | Low | 54.4 | Low | 30 Ų | 30 | 86.3 Ų | 86.3 | 16% | 0.157 | 44% | 0.438 | C | S | . | . | S | Bend | trans | -75.5 | 119.6 | 171.2 | -59.5 | 179.8 | 0 | 0 | 0 | 107.2 | P376 V381 F398 P474 | P376-L379 HydrophobicContact CB-CD1 4.06Å; P376-L379 PolarHBondContact O-N 3.15Å; L379-V381 WeakPolarHBondContact O-CG2 3.45Å; L379-V381 PolarHBondContact O-N 3.46Å; L379-F398 HydrophobicContact CB-CE1 3.56Å; L379-F398 HydrophobicContact CB-CZ 4.02Å; L379-F398 HydrophobicContact CD1-CE1 4.22Å; L379-F398 HydrophobicContact CD2-CD1 4.48Å; L379-F398 HydrophobicContact CD2-CE1 3.2Å; L379-F398 HydrophobicContact CD2-CE2 4.43Å; L379-F398 HydrophobicContact CD2-CZ 3.16Å; L379-F398 HydrophobicContact CG-CE1 3.7Å; L379-F398 HydrophobicContact CG-CZ 4.03Å; L379-P474 HydrophobicContact CD1-CB 4.22Å |
| 380 | P | 46.4 | Very low | 51.9 | Low | 64 Ų | 64 | 85.9 Ų | 85.9 | 42% | 0.416 | 44% | 0.438 | S | S | . | . | trans | -60.1 | 101 | -179 | 20.7 | -30.9 | 0 | 0 | 0 | 110.2 | N378 R382 | N378-P380 WeakPolarHBondContact O-CD 3.14Å; P380-R382 PolarHBondContact O-N 2.87Å | ||
| 381 | V | 44.5 | Very low | 49.2 | Very low | 133 Ų | 133 | 87.1 Ų | 87.1 | 81% | 0.806 | 45% | 0.445 | S | S | * | . | trans | -71.7 | 96.3 | 173.5 | -179.3 | 0 | 0 | 0 | 0 | 106.5 | L379 | L379-V381 WeakPolarHBondContact O-CG2 3.45Å; L379-V381 PolarHBondContact O-N 3.46Å | ||
| 382 | R | 35 | Very low | 46.6 | Very low | 229 Ų | 229 | 85.7 Ų | 85.7 | 86% | 0.864 | 44% | 0.444 | S | S | * | . | S | Bend | trans | 68.8 | 96.8 | 172.6 | -62.6 | 173.8 | 158.5 | 175.4 | -4.6 | 116.5 | P380 | P380-R382 PolarHBondContact O-N 2.87Š|
| 383 | R | 34 | Very low | 44.1 | Very low | 221 Ų | 221 | 92.6 Ų | 92.6 | 83% | 0.834 | 47% | 0.47 | S | S | * | . | -177.7 | 145.9 | 126.3 | -102.9 | 166.3 | -179.9 | 164.9 | -0.6 | 109.4 | L385 | R383-L385 HydrophobicContact CB-CD1 4.3Å; R383-L385 PolarHBondContact O-N 2.78Å | |||
| 384 | S | 28.6 | Very low | 41.5 | Very low | 126 Ų | 126 | 93.8 Ų | 93.8 | 88% | 0.881 | 48% | 0.479 | S | S | * | . | trans | -66.3 | 51.9 | -177.6 | 51.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 385 | L | 27.1 | Very low | 39.2 | Very low | 128 Ų | 128 | 94.2 Ų | 94.2 | 67% | 0.67 | 49% | 0.486 | S | S | * | . | trans | -121 | 59.5 | -173.2 | -76.3 | 164.2 | 0 | 0 | 0 | 111.2 | R383 | R383-L385 HydrophobicContact CB-CD1 4.3Å; R383-L385 PolarHBondContact O-N 2.78Å | ||
| 386 | F | 30.3 | Very low | 36.9 | Very low | 111 Ų | 111 | 95.4 Ų | 95.4 | 49% | 0.487 | 49% | 0.494 | S | S | . | . | trans | -148.7 | 94.5 | 152.5 | -89 | -75.7 | 0 | 0 | 0 | 105.9 | ||||
| 387 | S | 27.6 | Very low | 35.6 | Very low | 102 Ų | 102 | 95.3 Ų | 95.3 | 71% | 0.713 | 49% | 0.491 | S | S | * | . | trans | -80 | 118.3 | 180 | 54 | 0 | 0 | 0 | 0 | 110.1 | S389 | S387-S389 PolarHBondContact O-N 2.77Š| ||
| 388 | D | 25.9 | Very low | 34 | Very low | 142 Ų | 142 | 89.9 Ų | 89.9 | 76% | 0.759 | 47% | 0.467 | S | S | * | . | trans | 3.5 | 34.2 | 147.1 | -66.6 | -37.5 | 0 | 0 | 0 | 121.7 | I390 | D388-I390 PolarHBondContact O-N 3.05Š| ||
| 389 | S | 27.8 | Very low | 32.8 | Very low | 34 Ų | 34 | 91.8 Ų | 91.8 | 24% | 0.238 | 49% | 0.49 | C | S | . | . | trans | -92.3 | 105.8 | 171.9 | -167.1 | 0 | 0 | 0 | 0 | 110.3 | E211 D214 S387 | E211-S389 PolarHBondContact O-OG 3.4Å; D214-S389 VanDerWaalsContact CG-OG 3.31Å; D214-S389 VanDerWaalsContact OD2-CB 3.3Å; D214-S389 WeakPolarHBondContact OD2-CB 3.31Å; D214-S389 PolarHBondContact OD2-OG 3.46Å; S387-S389 PolarHBondContact O-N 2.77Å | ||
| 390 | I | 31.8 | Very low | 31.6 | Very low | 38 Ų | 38 | 95 Ų | 95 | 20% | 0.195 | 52% | 0.515 | C | S | . | . | trans | -95.3 | 103.7 | -167.8 | -65.6 | 162.8 | 0 | 0 | 0 | 109 | D388 R393 | D388-I390 PolarHBondContact O-N 3.05Å; I390-R393 HydrophobicContact CB-CG 4.47Å; I390-R393 HydrophobicContact CD1-CG 4.23Å; I390-R393 HydrophobicContact CG1-CG 3.96Å; I390-R393 HydrophobicContact CG2-CG 3.74Å | ||
| 391 | V | 30.7 | Very low | 30.6 | Very low | 27 Ų | 27 | 101 Ų | 101 | 16% | 0.164 | 54% | 0.535 | C | S | . | . | S | Bend | trans | -128.1 | 91.9 | 154.5 | -172.1 | 0 | 0 | 0 | 0 | 107 | K216 | K216-V391 VanDerWaalsContact NZ-CG2 3.27Š|
| 392 | G | 35.2 | Very low | 30 | Very low | 27 Ų | 27 | 105.1 Ų | 105.1 | 28% | 0.278 | 54% | 0.536 | S | S | . | . | S | Bend | trans | 75.1 | 106.1 | -162.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | C394 | G392-C394 PolarHBondContact O-N 2.82Š|
| 393 | R | 33.8 | Very low | 29.8 | Very low | 154 Ų | 154 | 101.4 Ų | 101.4 | 58% | 0.581 | 53% | 0.528 | S | S | * | . | trans | -63.9 | 84.6 | 164.5 | -78 | -173.3 | -176.6 | 168.4 | 0.8 | 106.8 | I390 A395 | I390-R393 HydrophobicContact CB-CG 4.47Å; I390-R393 HydrophobicContact CD1-CG 4.23Å; I390-R393 HydrophobicContact CG1-CG 3.96Å; I390-R393 HydrophobicContact CG2-CG 3.74Å; R393-A395 PolarHBondContact O-N 3.25Å | ||
| 394 | C | 31.3 | Very low | 29.6 | Very low | 46 Ų | 46 | 100.2 Ų | 100.2 | 31% | 0.311 | 53% | 0.529 | S | S | . | . | trans | -53 | 105 | 144.7 | -77.6 | 0 | 0 | 0 | 0 | 103.8 | L204 H205 G392 L396 | L204-C394 HydrophobicContact CD1-CB 4.47Å; L204-C394 VanDerWaalsContact CD1-SG 3.52Å; H205-C394 PolarHBondContact N-SG 2.92Å; H205-C394 VanDerWaalsContact N-SG 3.38Å; H205-C394 PolarHBondContact O-SG 2.87Å; G392-C394 PolarHBondContact O-N 2.82Å; C394-L396 PolarHBondContact O-N 3.1Å | ||
| 395 | A | 31.9 | Very low | 29.8 | Very low | 29 Ų | 29 | 104.9 Ų | 104.9 | 24% | 0.24 | 53% | 0.527 | C | S | . | . | trans | -50.6 | 113.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 105.1 | Y198 R393 I397 | Y198-A395 HydrophobicContact CE1-CB 4.34Å; R393-A395 PolarHBondContact O-N 3.25Å; A395-I397 PolarHBondContact O-N 3.03Å | ||
| 396 | L | 28.2 | Very low | 30.1 | Very low | 88 Ų | 88 | 107.8 Ų | 107.8 | 46% | 0.461 | 53% | 0.534 | S | S | . | . | trans | -40.9 | 110.8 | 167.1 | -87.6 | 161.7 | 0 | 0 | 0 | 106.7 | K195 C394 F398 | K195-L396 PolarHBondContact NZ-O 3.39Å; C394-L396 PolarHBondContact O-N 3.1Å; L396-F398 PolarHBondContact O-N 3.35Å | ||
| 397 | I | 32.2 | Very low | 30.3 | Very low | 34 Ų | 34 | 114.2 Ų | 114.2 | 17% | 0.174 | 56% | 0.556 | C | S | . | * | S | Bend | trans | -78.1 | 49.3 | 165.6 | -54 | 158.4 | 0 | 0 | 0 | 106.2 | V192 L374 A395 A477 V479 | V192-I397 HydrophobicContact CG1-CG1 4.29Å; V192-I397 HydrophobicContact CG1-CG2 4.42Å; L374-I397 HydrophobicContact CD1-CB 4.21Å; L374-I397 HydrophobicContact CD1-CD1 4.03Å; L374-I397 HydrophobicContact CD1-CG2 3.82Å; A395-I397 PolarHBondContact O-N 3.03Å; I397-A477 HydrophobicContact CG2-CB 3.38Å; I397-V479 HydrophobicContact CD1-CG2 3.37Å; I397-V479 HydrophobicContact CG1-CG2 3.93Å |
| 398 | F | 28.4 | Very low | 30.6 | Very low | 79 Ų | 79 | 114.5 Ų | 114.5 | 35% | 0.346 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -149.9 | 114.7 | 168.5 | -79.2 | -71.7 | 0 | 0 | 0 | 106.6 | L379 L396 S400 | L379-F398 HydrophobicContact CB-CE1 3.56Å; L379-F398 HydrophobicContact CB-CZ 4.02Å; L379-F398 HydrophobicContact CD1-CE1 4.22Å; L379-F398 HydrophobicContact CD2-CD1 4.48Å; L379-F398 HydrophobicContact CD2-CE1 3.2Å; L379-F398 HydrophobicContact CD2-CE2 4.43Å; L379-F398 HydrophobicContact CD2-CZ 3.16Å; L379-F398 HydrophobicContact CG-CE1 3.7Å; L379-F398 HydrophobicContact CG-CZ 4.03Å; L396-F398 PolarHBondContact O-N 3.35Å; F398-S400 PolarHBondContact O-N 2.99Å |
| 399 | A | 26.3 | Very low | 31.1 | Very low | 86 Ų | 86 | 113.7 Ų | 113.7 | 71% | 0.711 | 56% | 0.557 | S | S | * | * | trans | -54.3 | 109.6 | 166.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | F401 | A399-F401 PolarHBondContact O-N 2.82Š| ||
| 400 | S | 27.8 | Very low | 31.3 | Very low | 97 Ų | 97 | 120 Ų | 120 | 68% | 0.678 | 59% | 0.587 | S | S | * | * | trans | -55.3 | 102.1 | 146.3 | -179.2 | 0 | 0 | 0 | 0 | 105.2 | F398 R402 | F398-S400 PolarHBondContact O-N 2.99Å; S400-R402 PolarHBondContact O-N 2.82Å | ||
| 401 | F | 25.5 | Very low | 31.4 | Very low | 191 Ų | 191 | 124.2 Ų | 124.2 | 84% | 0.838 | 62% | 0.62 | S | S | * | * | trans | -66.5 | 69.2 | 161.9 | -124.6 | -89.2 | 0 | 0 | 0 | 106 | A399 E403 | A399-F401 PolarHBondContact O-N 2.82Å; F401-E403 PolarHBondContact O-N 2.74Å | ||
| 402 | R | 31.1 | Very low | 31.5 | Very low | 219 Ų | 219 | 128.4 Ų | 128.4 | 83% | 0.826 | 65% | 0.651 | S | S | * | * | trans | -83 | 83.6 | 169.4 | -147.4 | 176.4 | -172.3 | 174.2 | 2.6 | 105.1 | S400 K404 | S400-R402 PolarHBondContact O-N 2.82Å; R402-K404 VanDerWaalsContact C-N 3.33Å; R402-K404 PolarHBondContact O-N 3.24Å | ||
| 403 | E | 29.7 | Very low | 31.6 | Very low | 151 Ų | 151 | 136.3 Ų | 136.3 | 71% | 0.706 | 68% | 0.683 | S | S | * | * | trans | -52.9 | 102.9 | 165.2 | -165.4 | 167.1 | -167.4 | 0 | 0 | 106.9 | F401 R405 | F401-E403 PolarHBondContact O-N 2.74Å; E403-R405 PolarHBondContact O-N 2.84Å | ||
| 404 | K | 31.7 | Very low | 31.8 | Very low | 195 Ų | 195 | 133.7 Ų | 133.7 | 85% | 0.848 | 69% | 0.694 | S | S | * | * | trans | -62.5 | 88.1 | 162.6 | -85.7 | -176.8 | 175.5 | 178.7 | 0 | 105.3 | R402 K406 | R402-K404 VanDerWaalsContact C-N 3.33Å; R402-K404 PolarHBondContact O-N 3.24Å; K404-K406 PolarHBondContact O-N 2.95Å | ||
| 405 | R | 31.4 | Very low | 32 | Very low | 225 Ų | 225 | 137 Ų | 137 | 85% | 0.849 | 72% | 0.718 | S | S | * | * | trans | -55.2 | 93 | 154 | -95.7 | -173.9 | 176.7 | -175.8 | -1.6 | 106 | E403 R407 | E403-R405 PolarHBondContact O-N 2.84Å; R405-R407 VanDerWaalsContact C-N 3.32Å; R405-R407 PolarHBondContact O-N 3.07Å | ||
| 406 | K | 34.1 | Very low | 32.5 | Very low | 188 Ų | 188 | 145 Ų | 145 | 82% | 0.817 | 75% | 0.747 | S | S | * | * | trans | -59.4 | 105.5 | 155.2 | -80.1 | -176.4 | 174.6 | -178.4 | 0 | 105 | K404 S408 | K404-K406 PolarHBondContact O-N 2.95Å; K406-S408 PolarHBondContact O-N 3.32Å | ||
| 407 | R | 34.5 | Very low | 33.1 | Very low | 247 Ų | 247 | 148.5 Ų | 148.5 | 93% | 0.932 | 77% | 0.765 | S | S | * | * | trans | -60.9 | 95.7 | 156.7 | -77.6 | -179.9 | 178.6 | 170.7 | -1.4 | 106 | R405 | R405-R407 VanDerWaalsContact C-N 3.32Å; R405-R407 PolarHBondContact O-N 3.07Å | ||
| 408 | S | 33.5 | Very low | 33.6 | Very low | 107 Ų | 107 | 158.2 Ų | 158.2 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | trans | -121 | 80.3 | 156.7 | 60.7 | 0 | 0 | 0 | 0 | 106.2 | K406 | K406-S408 PolarHBondContact O-N 3.32Š| ||
| 409 | V | 35.4 | Very low | 34.3 | Very low | 125 Ų | 125 | 159.4 Ų | 159.4 | 76% | 0.758 | 82% | 0.815 | S | S | * | * | trans | -130.8 | 127.2 | 167.1 | -177.6 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 410 | L | 33.7 | Very low | 35.3 | Very low | 167 Ų | 167 | 163.5 Ų | 163.5 | 87% | 0.874 | 82% | 0.82 | S | S | * | * | S | Bend | trans | 77.1 | 81.8 | 171.6 | -66.7 | 143.8 | 0 | 0 | 0 | 117.5 | ||
| 411 | S | 32 | Very low | 36 | Very low | 127 Ų | 127 | 164.8 Ų | 164.8 | 89% | 0.888 | 82% | 0.824 | S | S | * | * | -160.7 | 76.6 | 128.4 | 74.8 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 412 | S | 33.7 | Very low | 36.8 | Very low | 115 Ų | 115 | 164.7 Ų | 164.7 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | trans | -145.5 | 70.9 | 161.6 | 71 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 413 | M | 37.8 | Very low | 37.6 | Very low | 192 Ų | 192 | 162.9 Ų | 162.9 | 95% | 0.946 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -169.4 | 142.9 | 156.7 | -107.9 | 176.7 | 177.8 | 0 | 0 | 108.6 | ||
| 414 | A | 37 | Very low | 38.2 | Very low | 100 Ų | 100 | 164.9 Ų | 164.9 | 83% | 0.826 | 83% | 0.83 | S | S | * | * | trans | 84.8 | 64.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 415 | S | 36.2 | Very low | 38.7 | Very low | 114 Ų | 114 | 161 Ų | 161 | 80% | 0.797 | 82% | 0.823 | S | S | * | * | trans | -71.2 | 112.6 | 136.9 | 48.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 416 | K | 42.8 | Very low | 39.2 | Very low | 197 Ų | 197 | 157 Ų | 157 | 86% | 0.857 | 81% | 0.814 | S | S | * | * | trans | 177.7 | 131 | 145.8 | -103.3 | 163.4 | -176.9 | 179.7 | 0 | 111 | ||||
| 417 | L | 40.3 | Very low | 39.5 | Very low | 162 Ų | 162 | 156.2 Ų | 156.2 | 85% | 0.848 | 81% | 0.811 | S | S | * | * | trans | 95.4 | 80.7 | 160 | -57.7 | 161.2 | 0 | 0 | 0 | 118.7 | ||||
| 418 | R | 41.7 | Very low | 39.9 | Very low | 239 Ų | 239 | 150.1 Ų | 150.1 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | 57.2 | 157.9 | 109.7 | -97.4 | -164.8 | -166.8 | -167.6 | 5.6 | 121.4 | |||||
| 419 | P | 43 | Very low | 40.2 | Very low | 103 Ų | 103 | 153 Ų | 153 | 67% | 0.669 | 81% | 0.813 | S | S | * | * | -137.8 | -157.1 | -109.3 | 42.4 | -20.7 | 0 | 0 | 0 | 114.7 | |||||
| 420 | Q | 48.2 | Very low | 40.5 | Very low | 173 Ų | 173 | 151 Ų | 151 | 81% | 0.808 | 82% | 0.817 | S | S | * | * | trans | 102.9 | 134.8 | 167.7 | -49.3 | -152.8 | 24.8 | 0 | 0 | 113.4 | ||||
| 421 | T | 42.7 | Very low | 40.6 | Very low | 124 Ų | 124 | 152 Ų | 152 | 76% | 0.761 | 82% | 0.817 | S | S | * | * | cis | -159.6 | 163.9 | 34.7 | -41.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 422 | K | 43.2 | Very low | 40.8 | Very low | 189 Ų | 189 | 152.7 Ų | 152.7 | 82% | 0.822 | 82% | 0.816 | S | S | * | * | trans | -61.2 | 159 | -176.7 | -58.2 | 156.4 | 171.2 | 176.5 | 0 | 114.6 | ||||
| 423 | E | 47.4 | Very low | 40.7 | Very low | 180 Ų | 180 | 152.4 Ų | 152.4 | 84% | 0.841 | 82% | 0.815 | S | S | * | * | -178.5 | 134.2 | 76 | -105.6 | 168.7 | 160.5 | 0 | 0 | 108.2 | |||||
| 424 | K | 41.6 | Very low | 40.8 | Very low | 194 Ų | 194 | 152.8 Ų | 152.8 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | 52.1 | 128.9 | 74.9 | -83 | -163.9 | -178.7 | -172.3 | 0 | 113.2 | |||||
| 425 | T | 42.1 | Very low | 40.5 | Very low | 112 Ų | 112 | 153.3 Ų | 153.3 | 69% | 0.687 | 81% | 0.812 | S | S | * | * | cis | -174 | 154.4 | 33.5 | -30.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 426 | E | 41.5 | Very low | 40.3 | Very low | 141 Ų | 141 | 155.7 Ų | 155.7 | 66% | 0.659 | 81% | 0.814 | S | S | * | * | trans | 64 | 128.1 | 136.1 | -88.6 | 176.4 | 149.8 | 0 | 0 | 127.5 | ||||
| 427 | K | 41.2 | Very low | 40 | Very low | 173 Ų | 173 | 154.9 Ų | 154.9 | 75% | 0.752 | 81% | 0.811 | S | S | * | * | trans | 50 | 128.6 | 131.6 | -73.3 | 170.4 | -177.7 | 151.7 | 0 | 122.1 | ||||
| 428 | S | 42 | Very low | 39.4 | Very low | 118 Ų | 118 | 153.6 Ų | 153.6 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | 172.3 | 154 | 100.1 | 68.9 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 429 | D | 40.3 | Very low | 39.1 | Very low | 168 Ų | 168 | 147.9 Ų | 147.9 | 90% | 0.898 | 81% | 0.807 | S | S | * | * | trans | -64.8 | 159.8 | -179.9 | -56 | -59.9 | 0 | 0 | 0 | 115.3 | ||||
| 430 | G | 42.9 | Very low | 38.6 | Very low | 82 Ų | 82 | 147.7 Ų | 147.7 | 85% | 0.845 | 81% | 0.814 | S | S | * | * | trans | -172.9 | 95.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 431 | Q | 35.8 | Very low | 38.1 | Very low | 188 Ų | 188 | 146.1 Ų | 146.1 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | trans | -83 | 128.1 | 174.6 | 175 | -177.5 | 4.1 | 0 | 0 | 110.6 | ||||
| 432 | T | 35.2 | Very low | 37.7 | Very low | 142 Ų | 142 | 147.9 Ų | 147.9 | 87% | 0.871 | 82% | 0.82 | S | S | * | * | trans | -165.8 | 129.7 | 147.7 | 7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 433 | S | 31.9 | Very low | 37.5 | Very low | 110 Ų | 110 | 143.6 Ų | 143.6 | 77% | 0.769 | 82% | 0.821 | S | S | * | * | trans | -84.6 | 137.3 | 167.4 | 50.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 434 | E | 39.9 | Very low | 37 | Very low | 200 Ų | 200 | 140 Ų | 140 | 94% | 0.935 | 82% | 0.822 | S | S | * | * | trans | -139.7 | 131.3 | 154.5 | -78.5 | -164 | 152.8 | 0 | 0 | 111 | ||||
| 435 | S | 29.6 | Very low | 36.9 | Very low | 111 Ų | 111 | 139.4 Ų | 139.4 | 78% | 0.776 | 82% | 0.822 | S | S | * | * | trans | -94.9 | 135.1 | 167.7 | 70.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 436 | L | 33 | Very low | 36.8 | Very low | 163 Ų | 163 | 140.3 Ų | 140.3 | 85% | 0.853 | 83% | 0.827 | S | S | * | * | trans | -154.7 | 119 | 152.8 | -144.8 | 85.4 | 0 | 0 | 0 | 114 | ||||
| 437 | K | 35.9 | Very low | 36.7 | Very low | 180 Ų | 180 | 140.5 Ų | 140.5 | 78% | 0.783 | 83% | 0.832 | S | S | * | * | trans | 9.7 | 120.2 | 146.1 | -61.9 | 174.8 | 179.6 | 175.8 | 0 | 120.5 | ||||
| 438 | T | 28.9 | Very low | 36.9 | Very low | 136 Ų | 136 | 137 Ų | 137 | 83% | 0.834 | 83% | 0.83 | S | S | * | * | 15.9 | 125.2 | 128.5 | 55.3 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 439 | S | 34.4 | Very low | 36.7 | Very low | 118 Ų | 118 | 140.5 Ų | 140.5 | 83% | 0.825 | 83% | 0.833 | S | S | * | * | trans | -154.9 | 136.8 | 133 | 70.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 440 | A | 32.1 | Very low | 37.4 | Very low | 100 Ų | 100 | 138.1 Ų | 138.1 | 83% | 0.826 | 83% | 0.827 | S | S | * | * | trans | -82.8 | 145.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 441 | V | 39.2 | Very low | 37.2 | Very low | 139 Ų | 139 | 139.8 Ų | 139.8 | 84% | 0.842 | 82% | 0.823 | S | S | * | * | trans | -144 | 124.2 | 158.5 | -179.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 442 | D | 33.6 | Very low | 37 | Very low | 161 Ų | 161 | 140.1 Ų | 140.1 | 86% | 0.861 | 83% | 0.826 | S | S | * | * | trans | -69 | 137 | 166.9 | -72.5 | -52.8 | 0 | 0 | 0 | 110.9 | ||||
| 443 | A | 39.1 | Very low | 37.1 | Very low | 100 Ų | 100 | 139.7 Ų | 139.7 | 83% | 0.826 | 82% | 0.824 | S | S | * | * | trans | -162.3 | 125.2 | 146.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 444 | A | 37.1 | Very low | 37.3 | Very low | 104 Ų | 104 | 138.9 Ų | 138.9 | 86% | 0.86 | 82% | 0.824 | S | S | * | * | trans | -71.1 | 134.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 445 | E | 39 | Very low | 37 | Very low | 182 Ų | 182 | 139 Ų | 139 | 85% | 0.85 | 82% | 0.822 | S | S | * | * | trans | -143.5 | 125.1 | 156.9 | -149.6 | 155.5 | -155.4 | 0 | 0 | 110.3 | ||||
| 446 | V | 40.7 | Very low | 37.2 | Very low | 130 Ų | 130 | 142.4 Ų | 142.4 | 79% | 0.788 | 83% | 0.826 | S | S | * | * | trans | -76 | 127.6 | 171.3 | 167 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 447 | D | 39.1 | Very low | 37.2 | Very low | 145 Ų | 145 | 139.8 Ų | 139.8 | 78% | 0.775 | 82% | 0.821 | S | S | * | * | trans | -152.8 | 142 | 154 | -103.6 | -27 | 0 | 0 | 0 | 115.1 | ||||
| 448 | S | 44.6 | Very low | 37 | Very low | 100 Ų | 100 | 137.5 Ų | 137.5 | 70% | 0.699 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 145.6 | -172.7 | 21.3 | 0 | 0 | 0 | 0 | 118 | ||
| 449 | E | 39.1 | Very low | 37.3 | Very low | 191 Ų | 191 | 136 Ų | 136 | 89% | 0.893 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 138.4 | 159 | -67.6 | -179 | 159.8 | 0 | 0 | 111 | ||
| 450 | P | 54.3 | Low | 37.2 | Very low | 119 Ų | 119 | 140.6 Ų | 140.6 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 159 | 165.1 | 33.5 | -29.8 | 0 | 0 | 0 | 112.4 | ||
| 451 | P | 39 | Very low | 37.5 | Very low | 117 Ų | 117 | 144.2 Ų | 144.2 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 162.8 | -161.4 | 35.2 | -35.1 | 0 | 0 | 0 | 114.8 | T453 | P451-T453 PolarHBondContact O-N 3.37Š|
| 452 | M | 31.1 | Very low | 37.3 | Very low | 194 Ų | 194 | 148.1 Ų | 148.1 | 96% | 0.956 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 128.1 | 167.3 | -75.9 | -162.5 | -78.3 | 0 | 0 | 112.8 | ||
| 453 | T | 38 | Very low | 37.5 | Very low | 133 Ų | 133 | 148 Ų | 148 | 82% | 0.816 | 81% | 0.811 | S | S | * | * | trans | -133.5 | 152.4 | 153.6 | 52.4 | 0 | 0 | 0 | 0 | 106.2 | P451 | P451-T453 PolarHBondContact O-N 3.37Š| ||
| 454 | A | 36.3 | Very low | 37.4 | Very low | 94 Ų | 94 | 154.4 Ų | 154.4 | 78% | 0.777 | 81% | 0.813 | S | S | * | * | cis | -173.5 | 154.3 | -14.7 | 0 | 0 | 0 | 0 | 0 | 103.4 | ||||
| 455 | F | 32.6 | Very low | 37.8 | Very low | 203 Ų | 203 | 154.2 Ų | 154.2 | 89% | 0.89 | 81% | 0.806 | S | S | * | * | trans | -53.3 | 135.4 | 178.1 | -94.1 | -115.3 | 0 | 0 | 0 | 113.3 | ||||
| 456 | E | 33.2 | Very low | 38 | Very low | 182 Ų | 182 | 155.7 Ų | 155.7 | 85% | 0.85 | 81% | 0.809 | S | S | * | * | trans | -125.4 | 107.2 | 146.6 | -99.4 | -174.5 | 165.3 | 0 | 0 | 109.5 | ||||
| 457 | S | 34.3 | Very low | 38 | Very low | 108 Ų | 108 | 155.2 Ų | 155.2 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | trans | -83 | 111.4 | 167.6 | 51.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 458 | I | 31.7 | Very low | 38.2 | Very low | 131 Ų | 131 | 160.6 Ų | 160.6 | 67% | 0.672 | 82% | 0.816 | S | S | * | * | trans | -100.7 | 109.9 | 166 | -62.5 | 176.7 | 0 | 0 | 0 | 108.1 | Y460 | I458-Y460 HydrophobicContact CG2-CD2 3.94Å; I458-Y460 HydrophobicContact CG2-CE2 4.13Å | ||
| 459 | S | 33.9 | Very low | 38.1 | Very low | 104 Ų | 104 | 163.4 Ų | 163.4 | 73% | 0.727 | 82% | 0.818 | S | S | * | * | trans | -63.7 | 127.4 | 164.3 | -170.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 460 | Y | 33.2 | Very low | 38.3 | Very low | 216 Ų | 216 | 164 Ų | 164 | 85% | 0.847 | 82% | 0.817 | S | S | * | * | trans | -114.9 | 111 | 164.5 | -112.1 | -81.6 | 0 | 0 | 0 | 109.5 | I458 | I458-Y460 HydrophobicContact CG2-CD2 3.94Å; I458-Y460 HydrophobicContact CG2-CE2 4.13Å | ||
| 461 | E | 38.5 | Very low | 37.8 | Very low | 176 Ų | 176 | 165.9 Ų | 165.9 | 82% | 0.822 | 82% | 0.819 | S | S | * | * | trans | -70.7 | 158 | 176.8 | -152.7 | 126.8 | -155.7 | 0 | 0 | 111.5 | ||||
| 462 | R | 35.2 | Very low | 38.3 | Very low | 221 Ų | 221 | 165 Ų | 165 | 83% | 0.834 | 82% | 0.816 | S | S | * | * | trans | -73.6 | 128.9 | -164.5 | -162.8 | -177.1 | -69.6 | 156.6 | -4.2 | 110.3 | ||||
| 463 | D | 37.4 | Very low | 39.2 | Very low | 159 Ų | 159 | 161.3 Ų | 161.3 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | trans | -138 | 109.6 | 151 | -129.8 | -16.7 | 0 | 0 | 0 | 111 | ||||
| 464 | R | 37.2 | Very low | 40.1 | Very low | 234 Ų | 234 | 158.9 Ų | 158.9 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | trans | -105 | 83.5 | 178 | -87.9 | -174.2 | 174.1 | 174.2 | -0.9 | 107.8 | ||||
| 465 | S | 45.3 | Very low | 41.3 | Very low | 100 Ų | 100 | 163.6 Ų | 163.6 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | trans | -101.5 | 122.4 | 162.9 | 55.3 | 0 | 0 | 0 | 0 | 110 | V467 | S465-V467 PolarHBondContact O-N 3.31Š| ||
| 466 | K | 42.4 | Very low | 43 | Very low | 212 Ų | 212 | 158.5 Ų | 158.5 | 92% | 0.922 | 77% | 0.771 | S | S | * | * | trans | -55.7 | 109.5 | -177 | -64.9 | 164.6 | 177.7 | 171.9 | 0 | 111.6 | ||||
| 467 | V | 42.5 | Very low | 44.8 | Very low | 120 Ų | 120 | 150.8 Ų | 150.8 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | trans | -109.7 | 112 | 157 | 179.2 | 0 | 0 | 0 | 0 | 107.3 | S465 E469 | S465-V467 PolarHBondContact O-N 3.31Å; V467-E469 HydrophobicContact CG1-CG 4.48Å; V467-E469 PolarHBondContact O-N 2.92Å | ||
| 468 | R | 41.9 | Very low | 46.8 | Very low | 258 Ų | 258 | 150.7 Ų | 150.7 | 97% | 0.974 | 72% | 0.722 | S | S | * | * | trans | -80.5 | 77.5 | 177 | -148.6 | 179.6 | -168.1 | -175.5 | 2.6 | 107.1 | ||||
| 469 | E | 43.6 | Very low | 49 | Very low | 159 Ų | 159 | 144.6 Ų | 144.6 | 74% | 0.743 | 69% | 0.691 | S | S | * | * | trans | -76.8 | 133.2 | 178.3 | -128.5 | 174.5 | -175.5 | 0 | 0 | 109.9 | V467 I471 | V467-E469 HydrophobicContact CG1-CG 4.48Å; V467-E469 PolarHBondContact O-N 2.92Å; E469-I471 PolarHBondContact O-N 2.87Å | ||
| 470 | K | 42.1 | Very low | 51.3 | Low | 203 Ų | 203 | 143.5 Ų | 143.5 | 88% | 0.883 | 67% | 0.673 | S | S | * | * | trans | -60.7 | 110.5 | 177 | -74.4 | 177.7 | 177.9 | 177.5 | 0 | 108.4 | S472 | K470-S472 PolarHBondContact O-N 2.96Š| ||
| 471 | I | 43.7 | Very low | 53.4 | Low | 159 Ų | 159 | 133.4 Ų | 133.4 | 82% | 0.815 | 63% | 0.634 | S | S | * | * | trans | -61.5 | 98.6 | 174.8 | -61.1 | 170.9 | 0 | 0 | 0 | 107.5 | E469 T473 | E469-I471 PolarHBondContact O-N 2.87Å; I471-T473 PolarHBondContact O-N 2.87Å | ||
| 472 | S | 50.3 | Low | 55 | Low | 100 Ų | 100 | 127.1 Ų | 127.1 | 70% | 0.699 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 126.4 | 164.6 | 63.2 | 0 | 0 | 0 | 0 | 107.3 | K470 | K470-S472 PolarHBondContact O-N 2.96Š|
| 473 | T | 51 | Low | 56.4 | Low | 116 Ų | 116 | 117.3 Ų | 117.3 | 71% | 0.712 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 135.9 | 176.2 | 44.2 | 0 | 0 | 0 | 0 | 110.3 | I471 K475 | I471-T473 PolarHBondContact O-N 2.87Å; T473-K475 PolarHBondContact O-N 3.31Å |
| 474 | P | 55.3 | Low | 57.3 | Low | 82 Ų | 82 | 112.3 Ų | 112.3 | 53% | 0.532 | 55% | 0.547 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 116.4 | -179.9 | 23 | -31.9 | 0 | 0 | 0 | 108.6 | P376 L379 K476 | P376-P474 HydrophobicContact CB-CB 4.14Å; P376-P474 HydrophobicContact CB-CG 3.83Å; L379-P474 HydrophobicContact CD1-CB 4.22Å; P474-K476 PolarHBondContact O-N 2.86Å |
| 475 | K | 62.3 | Low | 58.2 | Low | 192 Ų | 192 | 104.3 Ų | 104.3 | 84% | 0.835 | 52% | 0.524 | S | S | * | . | P | Polyproline II helix | trans | -62.7 | 129.7 | 176.6 | -68.7 | -175.8 | 179.6 | -179 | 0 | 108 | T473 | T473-K475 PolarHBondContact O-N 3.31Š|
| 476 | K | 69.2 | Low | 58.5 | Low | 96 Ų | 96 | 100.7 Ų | 100.7 | 42% | 0.417 | 50% | 0.499 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 141.9 | 169.7 | -59.2 | -173 | 179.3 | -178 | 0 | 108.6 | E373 P376 P474 | E373-K476 HydrophobicContact CG-CB 4.33Å; E373-K476 HydrophobicContact CG-CD 4.38Å; E373-K476 WeakPolarHBondContact OE1-CB 3.41Å; E373-K476 WeakPolarHBondContact OE1-CD 3.37Å; P376-K476 HydrophobicContact CG-CG 4.49Å; P474-K476 PolarHBondContact O-N 2.86Å |
| 477 | A | 71 | Confident | 59 | Low | 20 Ų | 20 | 92.8 Ų | 92.8 | 17% | 0.165 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 121.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | L374 I397 | L374-A477 PolarHBondContact N-O 3.06Å; I397-A477 HydrophobicContact CG2-CB 3.38Å |
| 478 | R | 75.5 | Confident | 59.5 | Low | 106 Ų | 106 | 88.1 Ų | 88.1 | 40% | 0.4 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 142.8 | 177.9 | -55 | 170 | 172 | -160.9 | -13.2 | 110.8 | D193 L371 I372 E373 | D193-R478 PolarHBondContact N-O 3.37Å; D193-R478 VanDerWaalsContact N-O 3.17Å; D193-R478 WeakPolarHBondContact OD2-CB 3.3Å; D193-R478 WeakPolarHBondContact OD2-CG 3.35Å; D193-R478 PolarHBondContact OD2-N 3.33Å; L371-R478 HydrophobicContact CD1-CB 4.25Å; I372-R478 WeakPolarHBondContact O-CA 3.32Å; E373-R478 HydrophobicContact CB-CG 4.24Å; E373-R478 HydrophobicContact CG-CG 3.85Å; E373-R478 IonicContact OE1-CZ 2.83Å; E373-R478 IonicContact OE1-NE 3.26Å; E373-R478 PolarHBondContact OE1-NE 3.07Å; E373-R478 IonicContact OE1-NH2 2.73Å; E373-R478 PolarHBondContact OE1-NH2 3.34Å; E373-R478 IonicContact OE2-NH2 3.22Å |
| 479 | V | 77.9 | Confident | 60.1 | Low | 4 Ų | 4 | 76 Ų | 76 | 2% | 0.024 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 116 | 172.3 | -174.8 | 0 | 0 | 0 | 0 | 108.7 | K191 V192 L371 I372 I397 M481 | K191-V479 CarbonylContact O-C 3.47Å; K191-V479 WeakPolarHBondContact O-CA 3.32Å; V192-V479 HydrophobicContact CG1-CG2 4.48Å; V192-V479 HydrophobicContact CG2-CG1 4.26Å; V192-V479 HydrophobicContact CG2-CG2 4.11Å; L371-V479 CarbonylContact C-O 3.54Å; L371-V479 WeakPolarHBondContact CA-O 2.86Å; I372-V479 PolarHBondContact N-O 3.4Å; I372-V479 PolarHBondContact O-N 3.04Å; I397-V479 HydrophobicContact CD1-CG2 3.37Å; I397-V479 HydrophobicContact CG1-CG2 3.93Å; V479-M481 HydrophobicContact CG1-CE 3.8Å; V479-M481 HydrophobicContact CG1-CG 4.19Å |
| 480 | K | 81.4 | Confident | 60.3 | Low | 81 Ų | 81 | 69.1 Ų | 69.1 | 35% | 0.352 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 127.2 | 172 | -168.1 | 175.4 | -178.1 | 176.2 | 0 | 109.6 | C190 K191 E369 C370 L371 V482 | C190-K480 CarbonylContact C-O 3.59Å; C190-K480 WeakPolarHBondContact CA-O 3.33Å; K191-K480 HydrophobicContact CB-CB 4.47Å; K191-K480 PolarHBondContact N-O 2.59Å; K191-K480 PolarHBondContact O-N 3.29Å; E369-K480 VanDerWaalsContact OE2-CE 3.32Å; E369-K480 WeakPolarHBondContact OE2-CE 3.24Å; E369-K480 IonicContact OE2-NZ 2.71Å; E369-K480 PolarHBondContact OE2-NZ 3.34Å; C370-K480 CarbonylContact O-C 3.45Å; L371-K480 HydrophobicContact CD1-CB 3.78Å; L371-K480 HydrophobicContact CD1-CG 4.24Å; K480-V482 HydrophobicContact CD-CG2 4.28Å; K480-V482 HydrophobicContact CG-CG2 4.17Å |
| 481 | M | 78.5 | Confident | 61.1 | Low | 4 Ų | 4 | 59.8 Ų | 59.8 | 2% | 0.02 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 129.5 | 175.3 | -60.1 | -176.6 | -139.4 | 0 | 0 | 109.2 | V188 K189 L204 A314 L325 C370 I372 V479 | V188-M481 HydrophobicContact CG1-CB 3.9Å; V188-M481 HydrophobicContact CG1-CG 4.37Å; K189-M481 WeakPolarHBondContact O-CA 3.39Å; L204-M481 HydrophobicContact CD2-CE 3.25Å; L204-M481 HydrophobicContact CD2-SD 3.82Å; A314-M481 HydrophobicContact CB-SD 3.92Å; L325-M481 HydrophobicContact CD2-CB 3.81Å; L325-M481 HydrophobicContact CD2-SD 4.26Å; C370-M481 PolarHBondContact N-O 2.82Å; C370-M481 PolarHBondContact O-N 3.07Å; I372-M481 HydrophobicContact CD1-CE 3.57Å; I372-M481 HydrophobicContact CG1-CE 4.25Å; V479-M481 HydrophobicContact CG1-CE 3.8Å; V479-M481 HydrophobicContact CG1-CG 4.19Å |
| 482 | V | 72.3 | Confident | 61.1 | Low | 43 Ų | 43 | 56.6 Ų | 56.6 | 26% | 0.261 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 123 | 176.6 | -174 | 0 | 0 | 0 | 0 | 107.7 | K189 E369 K480 V484 | K189-V482 PolarHBondContact N-O 2.85Å; K189-V482 PolarHBondContact O-N 2.85Å; E369-V482 HydrophobicContact CB-CG2 4.26Å; K480-V482 HydrophobicContact CD-CG2 4.28Å; K480-V482 HydrophobicContact CG-CG2 4.17Å; V482-V484 PolarHBondContact O-N 3.37Å |
| 483 | P | 63.4 | Low | 60.9 | Low | 16 Ų | 16 | 54.3 Ų | 54.3 | 10% | 0.104 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 129.4 | 167.7 | 31.5 | -29.5 | 0 | 0 | 0 | 108.7 | A187 P323 S368 | A187-P483 CarbonylContact O-C 3.53Å; A187-P483 WeakPolarHBondContact O-CA 3.38Å; P323-P483 HydrophobicContact CB-CB 4Å; P323-P483 HydrophobicContact CB-CG 4.19Å; S368-P483 WeakPolarHBondContact O-CD 3.32Å; S368-P483 WeakPolarHBondContact O-CG 3.24Å |
| 484 | V | 57.3 | Low | 60.6 | Low | 54 Ų | 54 | 54.5 Ų | 54.5 | 33% | 0.327 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 128 | 178.2 | -179.8 | 0 | 0 | 0 | 0 | 105.6 | S186 A187 K189 L199 V482 S486 | S186-V484 CarbonylContact C-O 3.45Å; A187-V484 PolarHBondContact N-O 3.02Å; A187-V484 PolarHBondContact O-N 3.25Å; A187-V484 VanDerWaalsContact O-O 3.1Å; K189-V484 HydrophobicContact CB-CG2 3.67Å; K189-V484 HydrophobicContact CD-CG2 4.31Å; L199-V484 HydrophobicContact CD2-CB 4.4Å; L199-V484 HydrophobicContact CD2-CG2 4.44Å; V482-V484 PolarHBondContact O-N 3.37Å; V484-S486 PolarHBondContact O-N 3.42Å; V484-S486 VanDerWaalsContact O-N 3.07Å |
| 485 | V | 55.5 | Low | 59.8 | Low | 65 Ų | 65 | 52.9 Ų | 52.9 | 39% | 0.394 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 115.5 | 173.4 | -176.3 | 0 | 0 | 0 | 0 | 107.6 | ||
| 486 | S | 52.3 | Low | 58.5 | Low | 24 Ų | 24 | 48.6 Ų | 48.6 | 17% | 0.168 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 163.8 | 174.7 | 64.7 | 0 | 0 | 0 | 0 | 109.3 | G185 A187 V484 | G185-S486 CarbonylContact O-C 3.32Å; G185-S486 WeakPolarHBondContact O-CA 3.25Å; G185-S486 PolarHBondContact O-N 3.48Å; G185-S486 PolarHBondContact O-OG 2.76Å; A187-S486 WeakPolarHBondContact CB-OG 3.34Å; V484-S486 PolarHBondContact O-N 3.42Å; V484-S486 VanDerWaalsContact O-N 3.07Å |
| 487 | G | 52.6 | Low | 57 | Low | 47 Ų | 47 | 52.1 Ų | 52.1 | 49% | 0.485 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58 | -179.5 | -169.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | L489 | G487-L489 PolarHBondContact O-N 2.7Å |
| 488 | A | 53.1 | Low | 55.1 | Low | 22 Ų | 22 | 58.1 Ų | 58.1 | 18% | 0.182 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57 | 119.2 | -179 | 0 | 0 | 0 | 0 | 0 | 112.9 | K143 L144 C182 R183 | K143-A488 WeakPolarHBondContact CA-O 3.46Å; K143-A488 HydrophobicContact CG-CB 4Å; L144-A488 PolarHBondContact N-O 3.02Å; L144-A488 VanDerWaalsContact N-O 3.11Å; C182-A488 HydrophobicContact CB-CB 3.43Å; C182-A488 VanDerWaalsContact CB-CB 3.43Å; R183-A488 CarbonylContact O-C 3.56Å; R183-A488 WeakPolarHBondContact O-CA 3.28Å |
| 489 | L | 54.6 | Low | 53 | Low | 4 Ų | 4 | 58.1 Ų | 58.1 | 2% | 0.021 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 130.1 | 167 | -57 | -177.8 | 0 | 0 | 0 | 108.4 | L144 F146 L159 C182 R183 G487 V491 | L144-L489 HydrophobicContact CB-CD2 3.76Å; L144-L489 HydrophobicContact CD2-CD2 4.29Å; L144-L489 HydrophobicContact CG-CD2 4.36Å; L144-L489 WeakPolarHBondContact O-CD2 3.28Å; F146-L489 HydrophobicContact CE2-CD2 4.14Å; L159-L489 HydrophobicContact CD1-CB 4.46Å; L159-L489 HydrophobicContact CD1-CD1 4.11Å; L159-L489 HydrophobicContact CD2-CB 4.26Å; L159-L489 HydrophobicContact CD2-CD1 3.83Å; C182-L489 CarbonylContact C-O 3.48Å; C182-L489 VanDerWaalsContact CA-O 3.28Å; C182-L489 WeakPolarHBondContact CA-O 3.47Å; R183-L489 PolarHBondContact N-O 3.02Å; R183-L489 PolarHBondContact O-N 3Å; R183-L489 VanDerWaalsContact O-O 3.06Å; G487-L489 PolarHBondContact O-N 2.7Å; L489-V491 PolarHBondContact O-N 3.41Å |
| 490 | P | 47.4 | Very low | 50.8 | Low | 14 Ų | 14 | 61.2 Ų | 61.2 | 9% | 0.091 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 131.2 | 176.3 | 20.3 | -14.1 | 0 | 0 | 0 | 110.3 | L144 A145 V181 | L144-P490 WeakPolarHBondContact O-CD 3.42Å; A145-P490 HydrophobicContact CB-CG 3.34Å; V181-P490 CarbonylContact O-C 3.55Å; V181-P490 WeakPolarHBondContact O-CA 3.37Å; V181-P490 WeakPolarHBondContact O-CB 3.45Å |
| 491 | V | 57.7 | Low | 48.8 | Very low | 7 Ų | 7 | 59.9 Ų | 59.9 | 4% | 0.042 | 35% | 0.352 | C | S | . | . | trans | -126.9 | 153.2 | 177.4 | -177.2 | 0 | 0 | 0 | 0 | 108.3 | L159 V181 R183 L489 | L159-V491 HydrophobicContact CD2-CG2 4.13Å; V181-V491 WeakPolarHBondContact CB-O 3.34Å; V181-V491 WeakPolarHBondContact CG1-O 3.44Å; V181-V491 PolarHBondContact O-N 2.68Å; R183-V491 HydrophobicContact CB-CB 4.19Å; R183-V491 HydrophobicContact CB-CG2 3.57Å; R183-V491 HydrophobicContact CG-CB 3.65Å; R183-V491 HydrophobicContact CG-CG1 4.26Å; R183-V491 HydrophobicContact CG-CG2 3.61Å; R183-V491 VanDerWaalsContact CZ-CG1 3.43Å; L489-V491 PolarHBondContact O-N 3.41Å | ||
| 492 | R | 44 | Very low | 47.2 | Very low | 92 Ų | 92 | 66.7 Ų | 66.7 | 35% | 0.347 | 40% | 0.397 | S | S | . | . | trans | -44.8 | 126.2 | 174.7 | -169.3 | -176.9 | 173.5 | 176.4 | -3.4 | 109.5 | L160 D494 | L160-R492 HydrophobicContact CD1-CB 4.07Å; L160-R492 HydrophobicContact CD1-CG 4.39Å; R492-D494 PolarHBondContact O-N 3.05Å; R492-D494 VanDerWaalsContact O-N 3.13Å | ||
| 493 | P | 47.2 | Very low | 46.1 | Very low | 51 Ų | 51 | 73.3 Ų | 73.3 | 33% | 0.331 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -53.1 | 123.1 | 161.4 | 14.4 | -23.3 | 0 | 0 | 0 | 107.2 | A179 V181 | A179-P493 HydrophobicContact CB-CG 4.15Å; V181-P493 HydrophobicContact CG2-CB 3.99Å; V181-P493 HydrophobicContact CG2-CG 4.36Å |
| 494 | D | 44.4 | Very low | 45.1 | Very low | 121 Ų | 121 | 78.1 Ų | 78.1 | 65% | 0.647 | 45% | 0.449 | S | S | * | . | P | Polyproline II helix | trans | -48.7 | 122.5 | 168.9 | -67.9 | -49.3 | 0 | 0 | 0 | 106.6 | R183 R492 P496 | R183-D494 IonicContact NH2-OD1 3.43Å; R183-D494 PolarHBondContact NH2-OD1 2.73Å; R183-D494 IonicContact NH2-OD2 3.88Å; R183-D494 PolarHBondContact NH2-OD2 3.44Å; R492-D494 PolarHBondContact O-N 3.05Å; R492-D494 VanDerWaalsContact O-N 3.13Å; D494-P496 VanDerWaalsContact O-CD 3.24Å; D494-P496 WeakPolarHBondContact O-CD 3.3Å |
| 495 | P | 39 | Very low | 44.4 | Very low | 48 Ų | 48 | 85.5 Ų | 85.5 | 31% | 0.312 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 129.6 | -164.8 | 27.4 | -34 | 0 | 0 | 0 | 108.8 | Y497 L498 | P495-Y497 PolarHBondContact O-N 2.84Å; P495-L498 HydrophobicContact CG-CG 4.28Å |
| 496 | P | 35.1 | Very low | 43.7 | Very low | 102 Ų | 102 | 91.9 Ų | 91.9 | 66% | 0.662 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -68.6 | -0.8 | 144.6 | 2.6 | 12.4 | 0 | 0 | 0 | 111 | D494 | D494-P496 VanDerWaalsContact O-CD 3.24Å; D494-P496 WeakPolarHBondContact O-CD 3.3Å |
| 497 | Y | 37 | Very low | 43.1 | Very low | 170 Ų | 170 | 94.7 Ų | 94.7 | 67% | 0.667 | 52% | 0.524 | S | S | * | . | trans | -125.2 | 56.6 | -172 | -36.2 | -69.4 | 0 | 0 | 0 | 111.3 | P495 I499 | P495-Y497 PolarHBondContact O-N 2.84Å; Y497-I499 PolarHBondContact O-N 2.87Å | ||
| 498 | L | 30.2 | Very low | 42.4 | Very low | 146 Ų | 146 | 98.5 Ų | 98.5 | 76% | 0.764 | 54% | 0.542 | S | S | * | . | trans | -62.8 | 96.6 | 143.4 | -82.2 | 168.5 | 0 | 0 | 0 | 104.2 | P495 S500 | P495-L498 HydrophobicContact CG-CG 4.28Å; L498-S500 PolarHBondContact O-N 2.97Å | ||
| 499 | I | 32.1 | Very low | 41.9 | Very low | 105 Ų | 105 | 103.3 Ų | 103.3 | 54% | 0.538 | 57% | 0.573 | S | S | . | * | trans | -60.2 | 103.1 | 155.7 | -61.9 | 173.4 | 0 | 0 | 0 | 102.6 | Y497 | Y497-I499 PolarHBondContact O-N 2.87Š| ||
| 500 | S | 32.8 | Very low | 41.3 | Very low | 70 Ų | 70 | 108.1 Ų | 108.1 | 49% | 0.49 | 61% | 0.607 | S | S | . | * | trans | -42.2 | 154.3 | 162.1 | 29.4 | 0 | 0 | 0 | 0 | 109.1 | L498 | L498-S500 PolarHBondContact O-N 2.97Š| ||
| 501 | G | 38.5 | Very low | 41.5 | Very low | 53 Ų | 53 | 113.4 Ų | 113.4 | 55% | 0.546 | 64% | 0.639 | S | S | . | * | S | Bend | trans | -50 | 178.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | E503 | G501-E503 PolarHBondContact O-N 2.93Š|
| 502 | P | 44.7 | Very low | 41 | Very low | 146 Ų | 146 | 117.2 Ų | 117.2 | 95% | 0.948 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | 22.5 | -166.7 | 28 | -35.3 | 0 | 0 | 0 | 116.9 | ||
| 503 | E | 50.1 | Low | 41.3 | Very low | 182 Ų | 182 | 120.8 Ų | 120.8 | 85% | 0.85 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.1 | -16 | -176.4 | -59.5 | -162.6 | 161.3 | 0 | 0 | 114.6 | G501 | G501-E503 PolarHBondContact O-N 2.93Š|
| 504 | D | 42.2 | Very low | 41.3 | Very low | 117 Ų | 117 | 124.2 Ų | 124.2 | 63% | 0.626 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -114.7 | 75.8 | -176.3 | -69.7 | -35.2 | 0 | 0 | 0 | 113.4 | ||
| 505 | R | 42.2 | Very low | 41.5 | Very low | 210 Ų | 210 | 127.5 Ų | 127.5 | 79% | 0.792 | 72% | 0.72 | S | S | * | * | trans | -175.3 | 66.2 | 157.6 | -100.6 | 157.8 | -159.5 | -145.9 | 5.7 | 112.6 | ||||
| 506 | M | 40.2 | Very low | 42 | Very low | 198 Ų | 198 | 136.5 Ų | 136.5 | 98% | 0.975 | 75% | 0.748 | S | S | * | * | trans | -113.3 | 78.5 | 151.4 | -80.1 | -160.8 | -165.6 | 0 | 0 | 108.6 | ||||
| 507 | A | 40.7 | Very low | 42.7 | Very low | 84 Ų | 84 | 141.1 Ų | 141.1 | 69% | 0.694 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -174.9 | 136.6 | 158.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||
| 508 | C | 37.4 | Very low | 43.2 | Very low | 127 Ų | 127 | 137 Ų | 137 | 86% | 0.858 | 75% | 0.75 | S | S | * | * | trans | 74 | 69 | 164.8 | -52.9 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 509 | C | 41.8 | Very low | 44.1 | Very low | 122 Ų | 122 | 142.2 Ų | 142.2 | 82% | 0.824 | 76% | 0.76 | S | S | * | * | trans | -150.5 | 121.8 | 134.4 | -93.9 | 0 | 0 | 0 | 0 | 107.9 | V511 | C509-V511 PolarHBondContact O-N 3.05Š| ||
| 510 | S | 43.5 | Very low | 45.3 | Very low | 105 Ų | 105 | 140.3 Ų | 140.3 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | trans | -54 | 123.3 | 178.6 | 42.4 | 0 | 0 | 0 | 0 | 111 | A512 | S510-A512 PolarHBondContact O-N 2.96Š| ||
| 511 | V | 50.8 | Low | 46.9 | Very low | 126 Ų | 126 | 141 Ų | 141 | 76% | 0.764 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | 5.6 | -174.9 | 174 | 0 | 0 | 0 | 0 | 113.1 | C509 | C509-V511 PolarHBondContact O-N 3.05Š|
| 512 | A | 48.3 | Very low | 48.7 | Very low | 87 Ų | 87 | 144.4 Ų | 144.4 | 72% | 0.719 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | -18.2 | -166.7 | 0 | 0 | 0 | 0 | 0 | 116 | S510 | S510-A512 PolarHBondContact O-N 2.96Š|
| 513 | E | 48.9 | Very low | 50.1 | Low | 167 Ų | 167 | 139.9 Ų | 139.9 | 78% | 0.78 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -117 | -6.8 | -173.2 | -72.8 | -172.9 | 147.4 | 0 | 0 | 115.9 | Y515 | E513-Y515 VanDerWaalsContact C-N 3.29Å; E513-Y515 PolarHBondContact O-N 3.31Å |
| 514 | C | 47.2 | Very low | 51.3 | Low | 123 Ų | 123 | 135.5 Ų | 135.5 | 83% | 0.831 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | 1.7 | 175.5 | -97.1 | 0 | 0 | 0 | 0 | 114.9 | ||
| 515 | Y | 49.1 | Very low | 53 | Low | 190 Ų | 190 | 135.1 Ų | 135.1 | 75% | 0.745 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | 1.8 | -177.1 | -103.4 | -83.3 | 0 | 0 | 0 | 115.6 | E513 | E513-Y515 VanDerWaalsContact C-N 3.29Å; E513-Y515 PolarHBondContact O-N 3.31Å |
| 516 | R | 48.8 | Very low | 54.7 | Low | 236 Ų | 236 | 132.3 Ų | 132.3 | 89% | 0.891 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -91.2 | 4.9 | -176.2 | -89.9 | -174.1 | -176.5 | 162 | 3.5 | 116.6 | ||
| 517 | F | 49.5 | Very low | 56.5 | Low | 199 Ų | 199 | 126.6 Ų | 126.6 | 87% | 0.873 | 68% | 0.683 | S | S | * | * | trans | -116.7 | 29.3 | -171.6 | -131.6 | -92.3 | 0 | 0 | 0 | 116.5 | ||||
| 518 | T | 47.9 | Very low | 58.4 | Low | 83 Ų | 83 | 125.4 Ų | 125.4 | 51% | 0.509 | 67% | 0.672 | S | S | . | * | trans | -111.9 | 58.8 | 169 | 47.2 | 0 | 0 | 0 | 0 | 111.5 | S520 L524 | T518-S520 PolarHBondContact O-N 2.91Å; T518-L524 HydrophobicContact CG2-CD1 4.15Å | ||
| 519 | R | 50.4 | Low | 60.6 | Low | 256 Ų | 256 | 122.9 Ų | 122.9 | 97% | 0.966 | 65% | 0.653 | S | S | * | * | trans | -80 | 33.7 | 171.1 | -151.3 | 179 | -176.3 | 166.4 | 0.4 | 113.3 | ||||
| 520 | S | 56.6 | Low | 62.5 | Low | 66 Ų | 66 | 118.9 Ų | 118.9 | 46% | 0.462 | 63% | 0.629 | S | S | . | * | trans | -118.5 | 81.9 | 158.4 | -176.5 | 0 | 0 | 0 | 0 | 106.8 | T518 H522 A523 | T518-S520 PolarHBondContact O-N 2.91Å; S520-H522 PolarHBondContact O-N 3.09Å; S520-H522 VanDerWaalsContact O-N 3.11Å; S520-A523 PolarHBondContact O-N 2.95Å; S520-A523 VanDerWaalsContact O-N 3.1Å | ||
| 521 | S | 67.2 | Low | 64.3 | Low | 83 Ų | 83 | 117 Ų | 117 | 58% | 0.58 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -49.2 | -32.9 | 174.8 | 46.5 | 0 | 0 | 0 | 0 | 111.8 | L525 | S521-L525 VanDerWaalsContact O-CB 3.28Å; S521-L525 WeakPolarHBondContact O-CB 3.29Å; S521-L525 PolarHBondContact O-N 2.78Å |
| 522 | H | 76.3 | Confident | 65.9 | Low | 126 Ų | 126 | 116.3 Ų | 116.3 | 58% | 0.583 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -64.3 | -43.8 | 178.3 | -65.8 | -74.5 | 0 | 0 | 0 | 113.3 | S520 L524 L525 F526 | S520-H522 PolarHBondContact O-N 3.09Å; S520-H522 VanDerWaalsContact O-N 3.11Å; H522-L524 PolarHBondContact O-N 2.87Å; H522-L525 PolarHBondContact O-N 2.85Å; H522-F526 WeakPolarHBondContact O-CB 3.32Å; H522-F526 WeakPolarHBondContact O-CD2 3Å; H522-F526 PolarHBondContact O-N 2.83Å |
| 523 | A | 72.4 | Confident | 67.6 | Low | 50 Ų | 50 | 117.2 Ų | 117.2 | 41% | 0.413 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -66.5 | -41.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S520 F526 I527 | S520-A523 PolarHBondContact O-N 2.95Å; S520-A523 VanDerWaalsContact O-N 3.1Å; A523-F526 PolarHBondContact O-N 2.84Å; A523-I527 VanDerWaalsContact O-CG1 3.3Å; A523-I527 WeakPolarHBondContact O-CG1 3.5Å; A523-I527 PolarHBondContact O-N 2.75Å |
| 524 | L | 75.2 | Confident | 69.2 | Low | 90 Ų | 90 | 113.1 Ų | 113.1 | 47% | 0.471 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -67 | -39.4 | 175.3 | -76.1 | 173.9 | 0 | 0 | 0 | 111.8 | T518 H522 I527 A528 | T518-L524 HydrophobicContact CG2-CD1 4.15Å; H522-L524 PolarHBondContact O-N 2.87Å; L524-I527 PolarHBondContact O-N 2.84Å; L524-A528 VanDerWaalsContact O-CB 3.27Å; L524-A528 WeakPolarHBondContact O-CB 3.19Å; L524-A528 PolarHBondContact O-N 3.22Å |
| 525 | L | 79.8 | Confident | 70.8 | Confident | 109 Ų | 109 | 111.4 Ų | 111.4 | 57% | 0.571 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -61 | -45.7 | 174.1 | -167.2 | 85.6 | 0 | 0 | 0 | 111.2 | S521 H522 I527 A528 V529 | S521-L525 VanDerWaalsContact O-CB 3.28Å; S521-L525 WeakPolarHBondContact O-CB 3.29Å; S521-L525 PolarHBondContact O-N 2.78Å; H522-L525 PolarHBondContact O-N 2.85Å; L525-I527 PolarHBondContact O-N 3.11Å; L525-A528 PolarHBondContact O-N 2.83Å; L525-V529 WeakPolarHBondContact O-CB 3.23Å; L525-V529 VanDerWaalsContact O-CG2 3.25Å; L525-V529 WeakPolarHBondContact O-CG2 3.32Å; L525-V529 PolarHBondContact O-N 2.73Å |
| 526 | F | 77 | Confident | 72.4 | Confident | 151 Ų | 151 | 105.8 Ų | 105.8 | 66% | 0.662 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -61.6 | -42.9 | 177.3 | -91.7 | -72.6 | 0 | 0 | 0 | 112.2 | H522 A523 A530 | H522-F526 WeakPolarHBondContact O-CB 3.32Å; H522-F526 WeakPolarHBondContact O-CD2 3Å; H522-F526 PolarHBondContact O-N 2.83Å; A523-F526 PolarHBondContact O-N 2.84Å; F526-A530 VanDerWaalsContact O-CB 3.26Å; F526-A530 WeakPolarHBondContact O-CB 3.45Å; F526-A530 PolarHBondContact O-N 3.2Å |
| 527 | I | 77.5 | Confident | 73.9 | Confident | 79 Ų | 79 | 99.2 Ų | 99.2 | 41% | 0.405 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.8 | -43.9 | 176.2 | -67.2 | 166.7 | 0 | 0 | 0 | 110.5 | A523 L524 L525 V529 A530 C531 | A523-I527 VanDerWaalsContact O-CG1 3.3Å; A523-I527 WeakPolarHBondContact O-CG1 3.5Å; A523-I527 PolarHBondContact O-N 2.75Å; L524-I527 PolarHBondContact O-N 2.84Å; L525-I527 PolarHBondContact O-N 3.11Å; I527-V529 PolarHBondContact O-N 2.82Å; I527-A530 PolarHBondContact O-N 3.08Å; I527-C531 WeakPolarHBondContact O-CB 3.42Å; I527-C531 PolarHBondContact O-N 2.85Å; I527-C531 PolarHBondContact O-SG 2.97Å |
| 528 | A | 80.9 | Confident | 75.3 | Confident | 58 Ų | 58 | 93.3 Ų | 93.3 | 48% | 0.479 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62 | -44.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L524 L525 C531 L532 | L524-A528 VanDerWaalsContact O-CB 3.27Å; L524-A528 WeakPolarHBondContact O-CB 3.19Å; L524-A528 PolarHBondContact O-N 3.22Å; L525-A528 PolarHBondContact O-N 2.83Å; A528-C531 PolarHBondContact O-N 2.89Å; A528-L532 VanDerWaalsContact O-CB 3.29Å; A528-L532 WeakPolarHBondContact O-CB 3.48Å; A528-L532 PolarHBondContact O-N 3.39Å |
| 529 | V | 84.4 | Confident | 76.8 | Confident | 75 Ų | 75 | 92.7 Ų | 92.7 | 46% | 0.455 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.4 | -44.7 | 175.7 | 172.3 | 0 | 0 | 0 | 0 | 110.8 | L525 I527 L532 L533 | L525-V529 WeakPolarHBondContact O-CB 3.23Å; L525-V529 VanDerWaalsContact O-CG2 3.25Å; L525-V529 WeakPolarHBondContact O-CG2 3.32Å; L525-V529 PolarHBondContact O-N 2.73Å; I527-V529 PolarHBondContact O-N 2.82Å; V529-L532 PolarHBondContact O-N 2.81Å; V529-L533 HydrophobicContact CG1-CD1 4.13Å; V529-L533 HydrophobicContact CG1-CG 4.47Å; V529-L533 WeakPolarHBondContact O-CB 3.46Å; V529-L533 VanDerWaalsContact O-CG 3.28Å; V529-L533 WeakPolarHBondContact O-CG 3.49Å; V529-L533 PolarHBondContact O-N 2.96Å |
| 530 | A | 80.7 | Confident | 78.1 | Confident | 37 Ų | 37 | 81.4 Ų | 81.4 | 31% | 0.306 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.3 | -44 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | F526 I527 L533 I534 | F526-A530 VanDerWaalsContact O-CB 3.26Å; F526-A530 WeakPolarHBondContact O-CB 3.45Å; F526-A530 PolarHBondContact O-N 3.2Å; I527-A530 PolarHBondContact O-N 3.08Å; A530-L533 PolarHBondContact O-N 3.11Å; A530-I534 VanDerWaalsContact O-CG1 3.27Å; A530-I534 WeakPolarHBondContact O-CG1 3.45Å; A530-I534 PolarHBondContact O-N 3.11Å |
| 531 | C | 81.7 | Confident | 79 | Confident | 66 Ų | 66 | 81.4 Ų | 81.4 | 45% | 0.446 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.6 | -43 | 174.7 | -73.8 | 0 | 0 | 0 | 0 | 111.8 | I527 A528 L533 I534 V535 | I527-C531 WeakPolarHBondContact O-CB 3.42Å; I527-C531 PolarHBondContact O-N 2.85Å; I527-C531 PolarHBondContact O-SG 2.97Å; A528-C531 PolarHBondContact O-N 2.89Å; C531-L533 VanDerWaalsContact C-N 3.33Å; C531-L533 PolarHBondContact O-N 2.84Å; C531-I534 PolarHBondContact O-N 2.79Å; C531-V535 WeakPolarHBondContact O-CG2 3.1Å; C531-V535 PolarHBondContact O-N 2.76Å |
| 532 | L | 85 | Confident | 79.5 | Confident | 111 Ų | 111 | 80.9 Ų | 80.9 | 58% | 0.581 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -62.5 | -41.6 | 177.3 | -164 | 119.6 | 0 | 0 | 0 | 111 | A528 V529 V535 I536 | A528-L532 VanDerWaalsContact O-CB 3.29Å; A528-L532 WeakPolarHBondContact O-CB 3.48Å; A528-L532 PolarHBondContact O-N 3.39Å; V529-L532 PolarHBondContact O-N 2.81Å; L532-V535 PolarHBondContact O-N 3.17Å; L532-I536 HydrophobicContact CD2-CD1 3.62Å; L532-I536 HydrophobicContact CG-CD1 4.19Å; L532-I536 WeakPolarHBondContact O-CB 3.48Å; L532-I536 WeakPolarHBondContact O-CD1 3.18Å; L532-I536 WeakPolarHBondContact O-CG1 3.21Å; L532-I536 PolarHBondContact O-N 3.11Å |
| 533 | L | 83.8 | Confident | 79.7 | Confident | 106 Ų | 106 | 78.9 Ų | 78.9 | 56% | 0.555 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -63.5 | -40.4 | 173.8 | -70.4 | 174.5 | 0 | 0 | 0 | 112.3 | V529 A530 C531 F537 | V529-L533 HydrophobicContact CG1-CD1 4.13Å; V529-L533 HydrophobicContact CG1-CG 4.47Å; V529-L533 WeakPolarHBondContact O-CB 3.46Å; V529-L533 VanDerWaalsContact O-CG 3.28Å; V529-L533 WeakPolarHBondContact O-CG 3.49Å; V529-L533 PolarHBondContact O-N 2.96Å; A530-L533 PolarHBondContact O-N 3.11Å; C531-L533 VanDerWaalsContact C-N 3.33Å; C531-L533 PolarHBondContact O-N 2.84Å; L533-F537 VanDerWaalsContact O-CB 3.29Å; L533-F537 WeakPolarHBondContact O-CB 3.5Å; L533-F537 PolarHBondContact O-N 2.07Å |
| 534 | I | 82.2 | Confident | 79.1 | Confident | 81 Ų | 81 | 82.1 Ų | 82.1 | 42% | 0.415 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65.4 | -44.5 | 175.4 | -68.3 | 164.3 | 0 | 0 | 0 | 110.8 | A530 C531 I536 F537 V538 | A530-I534 VanDerWaalsContact O-CG1 3.27Å; A530-I534 WeakPolarHBondContact O-CG1 3.45Å; A530-I534 PolarHBondContact O-N 3.11Å; C531-I534 PolarHBondContact O-N 2.79Å; I534-I536 PolarHBondContact O-N 3.12Å; I534-F537 WeakPolarHBondContact O-CB 2.95Å; I534-F537 PolarHBondContact O-N 3.28Å; I534-F537 VanDerWaalsContact O-N 3.16Å; I534-V538 HydrophobicContact CG2-CG2 4.22Å; I534-V538 WeakPolarHBondContact O-CG2 3.39Å; I534-V538 PolarHBondContact O-N 3.42Å |
| 535 | V | 81.3 | Confident | 79.1 | Confident | 88 Ų | 88 | 84.7 Ų | 84.7 | 53% | 0.533 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.1 | -43.3 | 177.9 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | C531 L532 F537 V538 T539 | C531-V535 WeakPolarHBondContact O-CG2 3.1Å; C531-V535 PolarHBondContact O-N 2.76Å; L532-V535 PolarHBondContact O-N 3.17Å; V535-F537 VanDerWaalsContact C-N 3.28Å; V535-F537 PolarHBondContact O-N 3.2Å; V535-V538 PolarHBondContact O-N 2.88Å; V535-T539 HydrophobicContact CG1-CG2 4.36Å; V535-T539 WeakPolarHBondContact O-CB 3.22Å; V535-T539 WeakPolarHBondContact O-CG2 3.28Å; V535-T539 PolarHBondContact O-N 2.81Å; V535-T539 PolarHBondContact O-OG1 3.33Å |
| 536 | I | 83 | Confident | 78.6 | Confident | 71 Ų | 71 | 86.9 Ų | 86.9 | 36% | 0.364 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60 | -41.8 | 174 | -69.5 | 166 | 0 | 0 | 0 | 110.3 | L532 I534 T539 A540 | L532-I536 HydrophobicContact CD2-CD1 3.62Å; L532-I536 HydrophobicContact CG-CD1 4.19Å; L532-I536 WeakPolarHBondContact O-CB 3.48Å; L532-I536 WeakPolarHBondContact O-CD1 3.18Å; L532-I536 WeakPolarHBondContact O-CG1 3.21Å; L532-I536 PolarHBondContact O-N 3.11Å; I534-I536 PolarHBondContact O-N 3.12Å; I536-T539 WeakPolarHBondContact CA-OG1 3.06Å; I536-T539 PolarHBondContact O-OG1 2.07Å; I536-A540 WeakPolarHBondContact O-CB 3.22Å; I536-A540 PolarHBondContact O-N 3.34Å |
| 537 | F | 78.9 | Confident | 77.7 | Confident | 99 Ų | 99 | 91 Ų | 91 | 43% | 0.434 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.8 | -44.4 | 178.7 | -169.5 | -97.9 | 0 | 0 | 0 | 112.5 | L13 L533 I534 V535 A540 L541 | L13-F537 HydrophobicContact CD1-CD2 4.25Å; L13-F537 HydrophobicContact CD1-CE2 3.97Å; L533-F537 VanDerWaalsContact O-CB 3.29Å; L533-F537 WeakPolarHBondContact O-CB 3.5Å; L533-F537 PolarHBondContact O-N 2.07Å; I534-F537 WeakPolarHBondContact O-CB 2.95Å; I534-F537 PolarHBondContact O-N 3.28Å; I534-F537 VanDerWaalsContact O-N 3.16Å; V535-F537 VanDerWaalsContact C-N 3.28Å; V535-F537 PolarHBondContact O-N 3.2Å; F537-A540 PolarHBondContact O-N 3.38Å; F537-L541 HydrophobicContact CD1-CD1 3.74Å; F537-L541 HydrophobicContact CE1-CD1 3.45Å; F537-L541 VanDerWaalsContact CE1-CD1 3.45Å; F537-L541 HydrophobicContact CE1-CG 4.33Å; F537-L541 HydrophobicContact CZ-CD1 4.18Å; F537-L541 WeakPolarHBondContact O-CG 2.91Å; F537-L541 PolarHBondContact O-N 3.34Å |
| 538 | V | 79 | Confident | 77.7 | Confident | 75 Ų | 75 | 91.6 Ų | 91.6 | 46% | 0.455 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.1 | -43.8 | 178.3 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | I534 V535 A540 L541 T542 | I534-V538 HydrophobicContact CG2-CG2 4.22Å; I534-V538 WeakPolarHBondContact O-CG2 3.39Å; I534-V538 PolarHBondContact O-N 3.42Å; V535-V538 PolarHBondContact O-N 2.88Å; V538-A540 VanDerWaalsContact C-N 3.32Å; V538-A540 PolarHBondContact O-N 2.95Å; V538-L541 PolarHBondContact O-N 3.38Å; V538-L541 VanDerWaalsContact O-N 3.14Å; V538-T542 HydrophobicContact CG1-CG2 4.41Å; V538-T542 WeakPolarHBondContact O-CG2 3.3Å; V538-T542 PolarHBondContact O-N 3.28Å; V538-T542 PolarHBondContact O-OG1 3.07Å |
| 539 | T | 80.1 | Confident | 77.6 | Confident | 69 Ų | 69 | 93.4 Ų | 93.4 | 42% | 0.423 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.1 | -34.8 | 176.3 | 47 | 0 | 0 | 0 | 0 | 112.5 | V535 I536 T542 T543 | V535-T539 HydrophobicContact CG1-CG2 4.36Å; V535-T539 WeakPolarHBondContact O-CB 3.22Å; V535-T539 WeakPolarHBondContact O-CG2 3.28Å; V535-T539 PolarHBondContact O-N 2.81Å; V535-T539 PolarHBondContact O-OG1 3.33Å; I536-T539 WeakPolarHBondContact CA-OG1 3.06Å; I536-T539 PolarHBondContact O-OG1 2.07Å; T539-T542 WeakPolarHBondContact CA-OG1 2.96Å; T539-T542 PolarHBondContact O-OG1 3.11Å; T539-T543 WeakPolarHBondContact O-CB 2.59Å; T539-T543 WeakPolarHBondContact O-CG2 3.37Å; T539-T543 PolarHBondContact O-N 3.18Å; T539-T543 VanDerWaalsContact O-N 3.11Å; T539-T543 PolarHBondContact O-OG1 2.93Å |
| 540 | A | 77.1 | Confident | 77.2 | Confident | 19 Ų | 19 | 94.4 Ų | 94.4 | 16% | 0.157 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -65.4 | -36.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I536 F537 V538 T543 F544 | I536-A540 WeakPolarHBondContact O-CB 3.22Å; I536-A540 PolarHBondContact O-N 3.34Å; F537-A540 PolarHBondContact O-N 3.38Å; V538-A540 VanDerWaalsContact C-N 3.32Å; V538-A540 PolarHBondContact O-N 2.95Å; A540-T543 PolarHBondContact O-OG1 3.07Å; A540-F544 PolarHBondContact O-N 3.15Å |
| 541 | L | 75.7 | Confident | 77 | Confident | 66 Ų | 66 | 97.8 Ų | 97.8 | 35% | 0.346 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -72.4 | -38 | 176.7 | -76.3 | 171.3 | 0 | 0 | 0 | 113.4 | W10 F537 V538 N545 | W10-L541 HydrophobicContact CH2-CD2 4.4Å; W10-L541 HydrophobicContact CZ3-CD2 4.16Å; F537-L541 HydrophobicContact CD1-CD1 3.74Å; F537-L541 HydrophobicContact CE1-CD1 3.45Å; F537-L541 VanDerWaalsContact CE1-CD1 3.45Å; F537-L541 HydrophobicContact CE1-CG 4.33Å; F537-L541 HydrophobicContact CZ-CD1 4.18Å; F537-L541 WeakPolarHBondContact O-CG 2.91Å; F537-L541 PolarHBondContact O-N 3.34Å; V538-L541 PolarHBondContact O-N 3.38Å; V538-L541 VanDerWaalsContact O-N 3.14Å; L541-N545 PolarHBondContact O-N 3.24Å; L541-N545 PolarHBondContact O-ND2 3.28Å |
| 542 | T | 78.4 | Confident | 76.7 | Confident | 72 Ų | 72 | 99.8 Ų | 99.8 | 44% | 0.442 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -72.8 | -41.5 | 179.7 | 54.3 | 0 | 0 | 0 | 0 | 111.9 | V538 T539 F544 N545 L546 | V538-T542 HydrophobicContact CG1-CG2 4.41Å; V538-T542 WeakPolarHBondContact O-CG2 3.3Å; V538-T542 PolarHBondContact O-N 3.28Å; V538-T542 PolarHBondContact O-OG1 3.07Å; T539-T542 WeakPolarHBondContact CA-OG1 2.96Å; T539-T542 PolarHBondContact O-OG1 3.11Å; T542-F544 PolarHBondContact O-N 3.35Å; T542-N545 PolarHBondContact O-N 3.43Å; T542-L546 PolarHBondContact O-N 3.26Å |
| 543 | T | 79 | Confident | 76.1 | Confident | 85 Ų | 85 | 99 Ų | 99 | 52% | 0.521 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.6 | -22.7 | 176.8 | 46.2 | 0 | 0 | 0 | 0 | 113.6 | T539 A540 | T539-T543 WeakPolarHBondContact O-CB 2.59Å; T539-T543 WeakPolarHBondContact O-CG2 3.37Å; T539-T543 PolarHBondContact O-N 3.18Å; T539-T543 VanDerWaalsContact O-N 3.11Å; T539-T543 PolarHBondContact O-OG1 2.93Å; A540-T543 PolarHBondContact O-OG1 3.07Å |
| 544 | F | 61.6 | Low | 75.6 | Confident | 117 Ų | 117 | 98.5 Ų | 98.5 | 51% | 0.513 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -88.4 | -16.1 | 175.8 | -108.8 | -82 | 0 | 0 | 0 | 115 | A540 T542 K547 | A540-F544 PolarHBondContact O-N 3.15Å; T542-F544 PolarHBondContact O-N 3.35Å; F544-K547 VanDerWaalsContact O-OXT 3.05Å |
| 545 | N | 73.3 | Confident | 75.1 | Confident | 145 Ų | 145 | 99.8 Ų | 99.8 | 78% | 0.775 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -87.5 | -11.8 | 170.4 | -86.2 | -69.7 | 0 | 0 | 0 | 112.5 | L541 T542 | L541-N545 PolarHBondContact O-N 3.24Å; L541-N545 PolarHBondContact O-ND2 3.28Å; T542-N545 PolarHBondContact O-N 3.43Å |
| 546 | L | 69.6 | Low | 74.6 | Confident | 155 Ų | 155 | 100.8 Ų | 100.8 | 81% | 0.812 | 52% | 0.523 | S | S | * | . | trans | -93.9 | 3 | 176.2 | -85.4 | 150.4 | 0 | 0 | 0 | 113.2 | T542 | T542-L546 PolarHBondContact O-N 3.26Š| ||
| 547 | K | 59.3 | Low | 73.8 | Confident | 237 Ų | 237 | 103.5 Ų | 103.5 | 100% | 1.03 | 54% | 0.537 | S | S | * | . | trans | -128.2 | 0 | 171 | -78.5 | -173.6 | 175.7 | -174.9 | 0 | 109 | F544 | F544-K547 VanDerWaalsContact O-OXT 3.05Š|
Retrieved 547 of 547 residues in 704.4 ms
(Link to these results)