| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 48.4 | Very low | 72 | Confident | 220 Ų | 220 | 89.5 Ų | 89.5 | 100% | 1.084 | 40% | 0.397 | S | S | * | . | 0 | -18.1 | 0 | -111.3 | -146.1 | -71.9 | 0 | 0 | 112.2 | |||||
| 2 | E | 48.1 | Very low | 73.3 | Confident | 98 Ų | 98 | 87.5 Ų | 87.5 | 46% | 0.458 | 39% | 0.39 | S | S | . | . | trans | -92.3 | -17.8 | -176.3 | -59.7 | -166.5 | 128.1 | 0 | 0 | 114.2 | R4 R5 | E2-R4 VanDerWaalsContact C-N 3.28Å; E2-R4 PolarHBondContact O-N 2.98Å; E2-R5 WeakPolarHBondContact O-CA 3.32Å; E2-R5 WeakPolarHBondContact O-CB 3.35Å; E2-R5 PolarHBondContact O-N 3.46Å; E2-R5 IonicContact OE1-CZ 2.63Å; E2-R5 IonicContact OE1-NH1 3.39Å; E2-R5 PolarHBondContact OE1-NH1 2.99Å; E2-R5 IonicContact OE1-NH2 3.9Å | ||
| 3 | D | 52.8 | Low | 74.4 | Confident | 54 Ų | 54 | 80.8 Ų | 80.8 | 29% | 0.289 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.1 | -33.5 | 174.9 | -48 | -80.4 | 0 | 0 | 0 | 112.9 | R5 Y39 P47 | D3-R5 PolarHBondContact O-N 3.28Å; D3-Y39 VanDerWaalsContact CG-OH 3.22Å; D3-Y39 WeakPolarHBondContact OD1-CE1 3.48Å; D3-Y39 VanDerWaalsContact OD1-CZ 3.31Å; D3-Y39 PolarHBondContact OD1-OH 3.3Å; D3-P47 HydrophobicContact CB-CG 4.08Å; D3-P47 VanDerWaalsContact OD1-CD 3.27Å; D3-P47 WeakPolarHBondContact OD1-CD 3.4Å |
| 4 | R | 62.5 | Low | 75.3 | Confident | 212 Ų | 212 | 75.5 Ų | 75.5 | 80% | 0.8 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -71.9 | -14.1 | 172.8 | -69.2 | -172.3 | -176.9 | -179.8 | 0.9 | 113 | E2 K8 | E2-R4 VanDerWaalsContact C-N 3.28Å; E2-R4 PolarHBondContact O-N 2.98Å; R4-K8 WeakPolarHBondContact O-CB 3.19Å; R4-K8 PolarHBondContact O-N 3.13Å |
| 5 | R | 74.1 | Confident | 76.1 | Confident | 118 Ų | 118 | 77.3 Ų | 77.3 | 45% | 0.445 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -77.1 | -45.8 | 179.4 | -167.3 | -175.8 | -75.6 | 148.7 | -0.6 | 110.2 | E2 D3 K8 S9 | E2-R5 WeakPolarHBondContact O-CA 3.32Å; E2-R5 WeakPolarHBondContact O-CB 3.35Å; E2-R5 PolarHBondContact O-N 3.46Å; E2-R5 IonicContact OE1-CZ 2.63Å; E2-R5 IonicContact OE1-NH1 3.39Å; E2-R5 PolarHBondContact OE1-NH1 2.99Å; E2-R5 IonicContact OE1-NH2 3.9Å; D3-R5 PolarHBondContact O-N 3.28Å; R5-K8 PolarHBondContact O-N 2.86Å; R5-S9 WeakPolarHBondContact O-CB 3.46Å; R5-S9 PolarHBondContact O-N 2.83Å; R5-S9 PolarHBondContact O-OG 2.83Å |
| 6 | A | 78.1 | Confident | 76.8 | Confident | 2 Ų | 2 | 72.9 Ų | 72.9 | 2% | 0.017 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.3 | -44.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | S9 C10 L36 I55 | A6-S9 PolarHBondContact O-N 3Å; A6-C10 WeakPolarHBondContact O-CB 3.22Å; A6-C10 PolarHBondContact O-N 3.17Å; A6-L36 HydrophobicContact CB-CD2 3.81Å; A6-L36 HydrophobicContact CB-CG 4.06Å; A6-I55 HydrophobicContact CB-CG2 4.41Å |
| 7 | E | 82.1 | Confident | 77.4 | Confident | 56 Ų | 56 | 68.9 Ų | 68.9 | 26% | 0.262 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.7 | -44.9 | 176 | -171.2 | 170.9 | -150.1 | 0 | 0 | 111.4 | S9 C10 E11 R54 I55 | E7-S9 PolarHBondContact O-N 3.38Å; E7-C10 WeakPolarHBondContact O-CB 3.08Å; E7-C10 PolarHBondContact O-N 3.5Å; E7-C10 VanDerWaalsContact O-N 3.15Å; E7-E11 WeakPolarHBondContact O-CG 3.29Å; E7-E11 PolarHBondContact O-N 3.04Å; E7-R54 IonicContact OE1-NH1 3.47Å; E7-I55 HydrophobicContact CB-CD1 3.82Å; E7-I55 HydrophobicContact CG-CD1 4.25Å |
| 8 | K | 85.1 | Confident | 77.8 | Confident | 129 Ų | 129 | 71.5 Ų | 71.5 | 56% | 0.561 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -61.9 | -42.9 | 177.9 | -174.4 | 178.5 | -178.3 | -177.5 | 0 | 112.4 | R4 R5 C10 E11 Q12 | R4-K8 WeakPolarHBondContact O-CB 3.19Å; R4-K8 PolarHBondContact O-N 3.13Å; R5-K8 PolarHBondContact O-N 2.86Å; K8-C10 VanDerWaalsContact C-N 3.33Å; K8-E11 PolarHBondContact O-N 3.43Å; K8-Q12 WeakPolarHBondContact O-CB 3.25Å; K8-Q12 VanDerWaalsContact O-CG 3.24Å; K8-Q12 WeakPolarHBondContact O-CG 3.39Å; K8-Q12 PolarHBondContact O-N 2.9Å |
| 9 | S | 86.1 | Confident | 78.3 | Confident | 3 Ų | 3 | 77.1 Ų | 77.1 | 2% | 0.021 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.5 | -35.7 | 175.3 | -65.8 | 0 | 0 | 0 | 0 | 111.6 | R5 A6 E7 Q12 A13 E31 | R5-S9 WeakPolarHBondContact O-CB 3.46Å; R5-S9 PolarHBondContact O-N 2.83Å; R5-S9 PolarHBondContact O-OG 2.83Å; A6-S9 PolarHBondContact O-N 3Å; E7-S9 PolarHBondContact O-N 3.38Å; S9-Q12 PolarHBondContact O-N 3.27Å; S9-A13 WeakPolarHBondContact O-CB 3.47Å; S9-A13 PolarHBondContact O-N 2.84Å; S9-E31 PolarHBondContact OG-OE2 2.79Å |
| 10 | C | 87.4 | Confident | 78.7 | Confident | 2 Ų | 2 | 80.2 Ų | 80.2 | 1% | 0.014 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -66.2 | -40.8 | 174.4 | -170.7 | 0 | 0 | 0 | 0 | 112.3 | A6 E7 K8 A13 C14 A32 I55 E58 S59 | A6-C10 WeakPolarHBondContact O-CB 3.22Å; A6-C10 PolarHBondContact O-N 3.17Å; E7-C10 WeakPolarHBondContact O-CB 3.08Å; E7-C10 PolarHBondContact O-N 3.5Å; E7-C10 VanDerWaalsContact O-N 3.15Å; K8-C10 VanDerWaalsContact C-N 3.33Å; C10-A13 WeakPolarHBondContact O-CB 3.43Å; C10-A13 PolarHBondContact O-N 2.78Å; C10-C14 PolarHBondContact O-N 2.68Å; C10-C14 VanDerWaalsContact O-N 3.11Å; C10-A32 HydrophobicContact CB-CB 4.45Å; C10-I55 HydrophobicContact CB-CG2 3.89Å; C10-E58 VanDerWaalsContact SG-CB 3.6Å; C10-S59 PolarHBondContact SG-OG 3.43Å |
| 11 | E | 87.1 | Confident | 79.2 | Confident | 90 Ų | 90 | 79.8 Ų | 79.8 | 42% | 0.421 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -67.3 | -40.6 | 175.3 | -67.9 | -165.3 | 142.5 | 0 | 0 | 112.5 | E7 K8 A13 C14 E15 K107 | E7-E11 WeakPolarHBondContact O-CG 3.29Å; E7-E11 PolarHBondContact O-N 3.04Å; K8-E11 PolarHBondContact O-N 3.43Å; E11-A13 VanDerWaalsContact C-N 3.3Å; E11-A13 PolarHBondContact O-N 3.11Å; E11-C14 WeakPolarHBondContact O-CB 3.45Å; E11-C14 PolarHBondContact O-N 2.96Å; E11-C14 VanDerWaalsContact O-N 3.16Å; E11-E15 PolarHBondContact O-N 3.04Å; E11-K107 IonicContact OE1-NZ 3.51Å; E11-K107 PolarHBondContact OE1-NZ 3.23Å |
| 12 | Q | 87.8 | Confident | 81.1 | Confident | 66 Ų | 66 | 71.2 Ų | 71.2 | 31% | 0.308 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.3 | -38.3 | 173 | -73.4 | 174.9 | -26.2 | 0 | 0 | 111.8 | K8 S9 C14 E15 S16 H28 | K8-Q12 WeakPolarHBondContact O-CB 3.25Å; K8-Q12 VanDerWaalsContact O-CG 3.24Å; K8-Q12 WeakPolarHBondContact O-CG 3.39Å; K8-Q12 PolarHBondContact O-N 2.9Å; S9-Q12 PolarHBondContact O-N 3.27Å; Q12-C14 PolarHBondContact O-N 2.86Å; Q12-E15 PolarHBondContact O-N 2.59Å; Q12-S16 PolarHBondContact O-N 2.66Å; Q12-S16 PolarHBondContact O-OG 3.19Å; Q12-H28 HydrophobicContact CB-CB 4.47Å |
| 13 | A | 87.3 | Confident | 83.1 | Confident | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.4 | -41.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S9 C10 E11 S16 L17 H28 C29 Y62 | S9-A13 WeakPolarHBondContact O-CB 3.47Å; S9-A13 PolarHBondContact O-N 2.84Å; C10-A13 WeakPolarHBondContact O-CB 3.43Å; C10-A13 PolarHBondContact O-N 2.78Å; E11-A13 VanDerWaalsContact C-N 3.3Å; E11-A13 PolarHBondContact O-N 3.11Å; A13-S16 PolarHBondContact O-N 3.39Å; A13-L17 VanDerWaalsContact O-CB 3.32Å; A13-L17 WeakPolarHBondContact O-CB 3.22Å; A13-L17 PolarHBondContact O-N 2.97Å; A13-H28 HydrophobicContact CB-CB 3.8Å; A13-C29 VanDerWaalsContact CB-SG 3.53Å; A13-Y62 HydrophobicContact CB-CD2 4.23Å |
| 14 | C | 87.2 | Confident | 84.7 | Confident | 7 Ų | 7 | 75.1 Ų | 75.1 | 5% | 0.047 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.9 | -42 | 175.5 | -171.7 | 0 | 0 | 0 | 0 | 111.8 | C10 E11 Q12 L17 K18 Y62 | C10-C14 PolarHBondContact O-N 2.68Å; C10-C14 VanDerWaalsContact O-N 3.11Å; E11-C14 WeakPolarHBondContact O-CB 3.45Å; E11-C14 PolarHBondContact O-N 2.96Å; E11-C14 VanDerWaalsContact O-N 3.16Å; Q12-C14 PolarHBondContact O-N 2.86Å; C14-L17 PolarHBondContact O-N 3.35Å; C14-K18 WeakPolarHBondContact O-CG 3.24Å; C14-K18 PolarHBondContact O-N 2.81Å; C14-K18 VanDerWaalsContact O-N 3.07Å; C14-Y62 HydrophobicContact CB-CD2 4.43Å; C14-Y62 HydrophobicContact CB-CE1 4.32Å; C14-Y62 HydrophobicContact CB-CE2 3.81Å |
| 15 | E | 87.3 | Confident | 85.9 | Confident | 102 Ų | 102 | 65 Ų | 65 | 48% | 0.477 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65.4 | -45.8 | 176.1 | -72.6 | -167.7 | -175.1 | 0 | 0 | 112.7 | E11 Q12 L17 K18 R19 | E11-E15 PolarHBondContact O-N 3.04Å; Q12-E15 PolarHBondContact O-N 2.59Å; E15-L17 VanDerWaalsContact C-N 3.29Å; E15-L17 PolarHBondContact O-N 2.87Å; E15-K18 PolarHBondContact O-N 2.77Å; E15-R19 WeakPolarHBondContact O-CG 3.27Å; E15-R19 PolarHBondContact O-N 2.83Å; E15-R19 IonicContact OE2-CZ 2.7Å; E15-R19 IonicContact OE2-NH1 3.3Å; E15-R19 IonicContact OE2-NH2 3.47Å; E15-R19 PolarHBondContact OE2-NH2 2.58Å |
| 16 | S | 88 | Confident | 86.6 | Confident | 7 Ų | 7 | 60.7 Ų | 60.7 | 5% | 0.049 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.3 | -38.2 | 177.1 | -64.5 | 0 | 0 | 0 | 0 | 111.6 | Q12 A13 K18 R19 Q20 D21 | Q12-S16 PolarHBondContact O-N 2.66Å; Q12-S16 PolarHBondContact O-OG 3.19Å; A13-S16 PolarHBondContact O-N 3.39Å; S16-K18 PolarHBondContact O-N 3.37Å; S16-R19 CarbonylContact O-C 3.51Å; S16-R19 PolarHBondContact O-N 2.84Å; S16-Q20 PolarHBondContact O-N 2.83Å; S16-Q20 VanDerWaalsContact O-N 3.13Å; S16-D21 PolarHBondContact O-N 2.85Å |
| 17 | L | 86.7 | Confident | 87.2 | Confident | 5 Ų | 5 | 67.9 Ų | 67.9 | 3% | 0.026 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.5 | -41.6 | 174.4 | -169.1 | 66.3 | 0 | 0 | 0 | 112 | A13 C14 E15 R19 Q20 Y22 A25 Y62 A65 P110 V111 I114 | A13-L17 VanDerWaalsContact O-CB 3.32Å; A13-L17 WeakPolarHBondContact O-CB 3.22Å; A13-L17 PolarHBondContact O-N 2.97Å; C14-L17 PolarHBondContact O-N 3.35Å; E15-L17 VanDerWaalsContact C-N 3.29Å; E15-L17 PolarHBondContact O-N 2.87Å; L17-R19 VanDerWaalsContact C-N 3.32Å; L17-R19 PolarHBondContact O-N 3.09Å; L17-Q20 PolarHBondContact O-N 2.87Å; L17-Y22 HydrophobicContact CD1-CD1 3.88Å; L17-Y22 HydrophobicContact CD1-CE1 4Å; L17-A25 HydrophobicContact CB-CB 4.5Å; L17-Y62 HydrophobicContact CD2-CD1 3.6Å; L17-Y62 HydrophobicContact CD2-CE1 4.44Å; L17-Y62 HydrophobicContact CD2-CG 4.25Å; L17-A65 HydrophobicContact CD1-CB 4.12Å; L17-A65 HydrophobicContact CD2-CB 4.14Å; L17-P110 HydrophobicContact CD2-CB 4.23Å; L17-P110 HydrophobicContact CG-CB 4.44Å; L17-V111 HydrophobicContact CD2-CG2 3.94Å; L17-I114 HydrophobicContact CD1-CD1 3.78Å; L17-I114 HydrophobicContact CG-CD1 4.26Å |
| 18 | K | 85.2 | Confident | 87.5 | Confident | 116 Ų | 116 | 66.3 Ų | 66.3 | 50% | 0.504 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66 | -33.1 | 174.8 | -73.2 | 175.8 | -179.5 | -177.9 | 0 | 112.6 | C14 E15 S16 Q20 P110 | C14-K18 WeakPolarHBondContact O-CG 3.24Å; C14-K18 PolarHBondContact O-N 2.81Å; C14-K18 VanDerWaalsContact O-N 3.07Å; E15-K18 PolarHBondContact O-N 2.77Å; S16-K18 PolarHBondContact O-N 3.37Å; K18-Q20 PolarHBondContact O-N 2.83Å; K18-P110 HydrophobicContact CG-CG 4.02Å |
| 19 | R | 87.3 | Confident | 87.6 | Confident | 177 Ų | 177 | 60.2 Ų | 60.2 | 67% | 0.668 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | 0.4 | 175.1 | -66.8 | -179.1 | -168.9 | 139.9 | 15.4 | 113.7 | E15 S16 L17 D21 | E15-R19 WeakPolarHBondContact O-CG 3.27Å; E15-R19 PolarHBondContact O-N 2.83Å; E15-R19 IonicContact OE2-CZ 2.7Å; E15-R19 IonicContact OE2-NH1 3.3Å; E15-R19 IonicContact OE2-NH2 3.47Å; E15-R19 PolarHBondContact OE2-NH2 2.58Å; S16-R19 CarbonylContact O-C 3.51Å; S16-R19 PolarHBondContact O-N 2.84Å; L17-R19 VanDerWaalsContact C-N 3.32Å; L17-R19 PolarHBondContact O-N 3.09Å; R19-D21 PolarHBondContact O-N 3.29Å |
| 20 | Q | 85.6 | Confident | 87.7 | Confident | 140 Ų | 140 | 62.9 Ų | 62.9 | 65% | 0.654 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 23 | -176.5 | -52.3 | 179.7 | 18.1 | 0 | 0 | 114.1 | S16 L17 K18 Y22 | S16-Q20 PolarHBondContact O-N 2.83Å; S16-Q20 VanDerWaalsContact O-N 3.13Å; L17-Q20 PolarHBondContact O-N 2.87Å; K18-Q20 PolarHBondContact O-N 2.83Å; Q20-Y22 HydrophobicContact CB-CE2 4.16Å; Q20-Y22 WeakPolarHBondContact O-CD2 3.13Å; Q20-Y22 WeakPolarHBondContact O-CE2 3.11Å; Q20-Y22 PolarHBondContact O-N 2.9Å |
| 21 | D | 89.1 | Confident | 87.7 | Confident | 71 Ų | 71 | 66.6 Ų | 66.6 | 38% | 0.38 | 31% | 0.308 | S | S | . | . | trans | -93.7 | 81.4 | 173.3 | -170.6 | -17 | 0 | 0 | 0 | 109.6 | S16 R19 M24 A25 | S16-D21 PolarHBondContact O-N 2.85Å; R19-D21 PolarHBondContact O-N 3.29Å; D21-M24 HydrophobicContact CB-CB 4.27Å; D21-M24 VanDerWaalsContact OD1-CB 3.25Å; D21-M24 WeakPolarHBondContact OD1-CB 3.45Å; D21-M24 PolarHBondContact OD1-N 2.74Å; D21-M24 VanDerWaalsContact OD1-N 3.14Å; D21-M24 WeakPolarHBondContact OD2-CB 3.49Å; D21-A25 WeakPolarHBondContact O-CB 3.47Å; D21-A25 PolarHBondContact O-N 3.29Å | ||
| 22 | Y | 89.3 | Confident | 87.6 | Confident | 40 Ų | 40 | 62.3 Ų | 62.3 | 16% | 0.157 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -72 | -30.5 | -171.2 | -52.3 | -63.1 | 0 | 0 | 0 | 113.2 | L17 Q20 L26 Q69 I114 | L17-Y22 HydrophobicContact CD1-CD1 3.88Å; L17-Y22 HydrophobicContact CD1-CE1 4Å; Q20-Y22 HydrophobicContact CB-CE2 4.16Å; Q20-Y22 WeakPolarHBondContact O-CD2 3.13Å; Q20-Y22 WeakPolarHBondContact O-CE2 3.11Å; Q20-Y22 PolarHBondContact O-N 2.9Å; Y22-L26 WeakPolarHBondContact O-CG 3.5Å; Y22-L26 PolarHBondContact O-N 2.65Å; Y22-Q69 HydrophobicContact CD1-CB 3.94Å; Y22-Q69 HydrophobicContact CD1-CG 4.11Å; Y22-Q69 HydrophobicContact CD2-CB 3.74Å; Y22-Q69 HydrophobicContact CD2-CG 4.45Å; Y22-Q69 HydrophobicContact CE1-CB 3.97Å; Y22-Q69 HydrophobicContact CE1-CG 3.69Å; Y22-Q69 HydrophobicContact CE2-CB 3.75Å; Y22-Q69 HydrophobicContact CE2-CG 4.05Å; Y22-Q69 HydrophobicContact CG-CB 3.83Å; Y22-Q69 HydrophobicContact CG-CG 4.47Å; Y22-I114 HydrophobicContact CE1-CD1 3.99Å |
| 23 | E | 88.6 | Confident | 87.5 | Confident | 146 Ų | 146 | 60.5 Ų | 60.5 | 68% | 0.682 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -69.6 | -42 | 176.3 | -67.6 | -173.8 | 177.3 | 0 | 0 | 111.1 | L26 K27 L70 | E23-L26 PolarHBondContact O-N 3.17Å; E23-K27 PolarHBondContact O-N 2.69Å; E23-K27 VanDerWaalsContact O-N 3.13Å; E23-L70 HydrophobicContact CG-CD1 4.33Å; E23-L70 HydrophobicContact CG-CD2 4.26Å |
| 24 | M | 86.8 | Confident | 87.4 | Confident | 89 Ų | 89 | 66 Ų | 66 | 44% | 0.438 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -69.5 | -37.4 | 175.5 | -161.3 | 170.3 | -155.8 | 0 | 0 | 111.7 | D21 L26 K27 H28 | D21-M24 HydrophobicContact CB-CB 4.27Å; D21-M24 VanDerWaalsContact OD1-CB 3.25Å; D21-M24 WeakPolarHBondContact OD1-CB 3.45Å; D21-M24 PolarHBondContact OD1-N 2.74Å; D21-M24 VanDerWaalsContact OD1-N 3.14Å; D21-M24 WeakPolarHBondContact OD2-CB 3.49Å; M24-L26 PolarHBondContact O-N 3.22Å; M24-K27 PolarHBondContact O-N 2.67Å; M24-H28 PolarHBondContact O-CD2 2.88Å; M24-H28 PolarHBondContact O-N 2.78Å |
| 25 | A | 88.1 | Confident | 87.1 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.7 | -43.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | L17 D21 K27 H28 C29 S66 | L17-A25 HydrophobicContact CB-CB 4.5Å; D21-A25 WeakPolarHBondContact O-CB 3.47Å; D21-A25 PolarHBondContact O-N 3.29Å; A25-K27 PolarHBondContact O-N 2.68Å; A25-H28 PolarHBondContact O-N 2.85Å; A25-C29 WeakPolarHBondContact O-CB 3.28Å; A25-C29 PolarHBondContact O-N 2.59Å; A25-C29 PolarHBondContact O-SG 2.77Å; A25-S66 WeakPolarHBondContact CB-OG 3.47Å |
| 26 | L | 89.1 | Confident | 86.6 | Confident | 26 Ų | 26 | 62.9 Ų | 62.9 | 14% | 0.136 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.1 | -42.1 | 174.8 | -76.6 | -177.4 | 0 | 0 | 0 | 112.7 | Y22 E23 M24 C29 T30 R63 F67 L70 | Y22-L26 WeakPolarHBondContact O-CG 3.5Å; Y22-L26 PolarHBondContact O-N 2.65Å; E23-L26 PolarHBondContact O-N 3.17Å; M24-L26 PolarHBondContact O-N 3.22Å; L26-C29 PolarHBondContact O-N 3.25Å; L26-T30 WeakPolarHBondContact O-CB 3.43Å; L26-T30 PolarHBondContact O-N 3.11Å; L26-T30 PolarHBondContact O-OG1 2.79Å; L26-R63 HydrophobicContact CD2-CB 4.45Å; L26-R63 HydrophobicContact CD2-CG 3.51Å; L26-F67 HydrophobicContact CD1-CD1 3.75Å; L26-F67 HydrophobicContact CD1-CE1 3.52Å; L26-F67 HydrophobicContact CD1-CZ 4.31Å; L26-F67 HydrophobicContact CD2-CD1 3.81Å; L26-F67 HydrophobicContact CD2-CD2 4.11Å; L26-F67 HydrophobicContact CD2-CE1 3.68Å; L26-F67 HydrophobicContact CD2-CE2 4Å; L26-F67 HydrophobicContact CD2-CG 4.01Å; L26-F67 HydrophobicContact CD2-CZ 3.78Å; L26-F67 HydrophobicContact CG-CD1 4.44Å; L26-F67 HydrophobicContact CG-CE1 4.27Å; L26-L70 HydrophobicContact CD1-CD1 3.4Å; L26-L70 HydrophobicContact CG-CD1 4.23Å |
| 27 | K | 89.1 | Confident | 85.4 | Confident | 153 Ų | 153 | 65.7 Ų | 65.7 | 67% | 0.665 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -61.6 | -46.7 | 178.8 | -172.3 | 179 | 179.1 | -178.7 | 0 | 110.9 | E23 M24 A25 T30 E31 | E23-K27 PolarHBondContact O-N 2.69Å; E23-K27 VanDerWaalsContact O-N 3.13Å; M24-K27 PolarHBondContact O-N 2.67Å; A25-K27 PolarHBondContact O-N 2.68Å; K27-T30 PolarHBondContact O-N 3.39Å; K27-E31 WeakPolarHBondContact O-CB 3.45Å; K27-E31 PolarHBondContact O-N 3.45Å |
| 28 | H | 88.9 | Confident | 84.2 | Confident | 24 Ų | 24 | 72.5 Ų | 72.5 | 11% | 0.111 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -67.3 | -38 | 177.7 | -71.1 | -49.5 | 0 | 0 | 0 | 113 | Q12 A13 M24 A25 T30 E31 A32 | Q12-H28 HydrophobicContact CB-CB 4.47Å; A13-H28 HydrophobicContact CB-CB 3.8Å; M24-H28 PolarHBondContact O-CD2 2.88Å; M24-H28 PolarHBondContact O-N 2.78Å; A25-H28 PolarHBondContact O-N 2.85Å; H28-T30 VanDerWaalsContact C-N 3.35Å; H28-T30 PolarHBondContact O-N 2.9Å; H28-E31 IonicContact ND1-OE2 3.2Å; H28-E31 PolarHBondContact O-N 2.79Å; H28-A32 WeakPolarHBondContact O-CB 3.39Å; H28-A32 PolarHBondContact O-N 3.25Å |
| 29 | C | 88.5 | Confident | 82.8 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.9 | -41.7 | 173.2 | -66.7 | 0 | 0 | 0 | 0 | 112 | A13 A25 L26 A32 L33 S59 R63 | A13-C29 VanDerWaalsContact CB-SG 3.53Å; A25-C29 WeakPolarHBondContact O-CB 3.28Å; A25-C29 PolarHBondContact O-N 2.59Å; A25-C29 PolarHBondContact O-SG 2.77Å; L26-C29 PolarHBondContact O-N 3.25Å; C29-A32 PolarHBondContact O-N 3.24Å; C29-L33 WeakPolarHBondContact O-CB 3.06Å; C29-L33 VanDerWaalsContact O-CG 3.31Å; C29-L33 WeakPolarHBondContact O-CG 3.41Å; C29-L33 PolarHBondContact O-N 3.17Å; C29-S59 PolarHBondContact SG-O 3.22Å; C29-R63 HydrophobicContact CB-CB 3.91Å; C29-R63 HydrophobicContact CB-CG 4.09Å |
| 30 | T | 87.4 | Confident | 80.7 | Confident | 59 Ų | 59 | 68.5 Ų | 68.5 | 36% | 0.362 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -68.5 | -40.9 | 179.9 | -54 | 0 | 0 | 0 | 0 | 111.1 | L26 K27 H28 L33 L34 | L26-T30 WeakPolarHBondContact O-CB 3.43Å; L26-T30 PolarHBondContact O-N 3.11Å; L26-T30 PolarHBondContact O-OG1 2.79Å; K27-T30 PolarHBondContact O-N 3.39Å; H28-T30 VanDerWaalsContact C-N 3.35Å; H28-T30 PolarHBondContact O-N 2.9Å; T30-L33 PolarHBondContact O-N 2.73Å; T30-L34 HydrophobicContact CG2-CD1 4.03Å; T30-L34 HydrophobicContact CG2-CG 4.38Å; T30-L34 WeakPolarHBondContact O-CB 3.22Å; T30-L34 VanDerWaalsContact O-CG 3.26Å; T30-L34 WeakPolarHBondContact O-CG 3.36Å; T30-L34 PolarHBondContact O-N 3.24Å |
| 31 | E | 87.3 | Confident | 78.8 | Confident | 80 Ų | 80 | 69.9 Ų | 69.9 | 37% | 0.374 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.3 | -41.8 | 173.9 | -173.3 | 179.5 | -163 | 0 | 0 | 112.2 | S9 K27 H28 S35 | S9-E31 PolarHBondContact OG-OE2 2.79Å; K27-E31 WeakPolarHBondContact O-CB 3.45Å; K27-E31 PolarHBondContact O-N 3.45Å; H28-E31 IonicContact ND1-OE2 3.2Å; H28-E31 PolarHBondContact O-N 2.79Å; E31-S35 WeakPolarHBondContact O-CB 3.43Å; E31-S35 PolarHBondContact O-N 3.07Å; E31-S35 PolarHBondContact O-OG 2.7Å |
| 32 | A | 85.9 | Confident | 76.6 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.6 | -48.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | C10 H28 C29 S35 L36 | C10-A32 HydrophobicContact CB-CB 4.45Å; H28-A32 WeakPolarHBondContact O-CB 3.39Å; H28-A32 PolarHBondContact O-N 3.25Å; C29-A32 PolarHBondContact O-N 3.24Å; A32-S35 PolarHBondContact O-N 2.82Å; A32-L36 WeakPolarHBondContact O-CG 3.19Å; A32-L36 PolarHBondContact O-N 3.24Å; A32-L36 VanDerWaalsContact O-N 3.13Å |
| 33 | L | 85.2 | Confident | 74.4 | Confident | 29 Ų | 29 | 75.1 Ų | 75.1 | 15% | 0.152 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -69 | -35.8 | -179 | -68.9 | 168 | 0 | 0 | 0 | 113.2 | C29 T30 L36 G37 K56 L60 | C29-L33 WeakPolarHBondContact O-CB 3.06Å; C29-L33 VanDerWaalsContact O-CG 3.31Å; C29-L33 WeakPolarHBondContact O-CG 3.41Å; C29-L33 PolarHBondContact O-N 3.17Å; T30-L33 PolarHBondContact O-N 2.73Å; L33-L36 PolarHBondContact O-N 2.87Å; L33-G37 PolarHBondContact O-N 2.67Å; L33-G37 VanDerWaalsContact O-N 3.08Å; L33-K56 HydrophobicContact CD2-CG 3.91Å; L33-L60 HydrophobicContact CD1-CD2 3.74Å; L33-L60 HydrophobicContact CD1-CG 4.22Å; L33-L60 HydrophobicContact CD2-CD2 4.37Å; L33-L60 HydrophobicContact CD2-CG 4.13Å |
| 34 | L | 84.2 | Confident | 72.3 | Confident | 114 Ų | 114 | 75.1 Ų | 75.1 | 60% | 0.597 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -67.1 | -39.7 | 174 | -74.6 | 172.3 | 0 | 0 | 0 | 111.9 | T30 L36 G37 | T30-L34 HydrophobicContact CG2-CD1 4.03Å; T30-L34 HydrophobicContact CG2-CG 4.38Å; T30-L34 WeakPolarHBondContact O-CB 3.22Å; T30-L34 VanDerWaalsContact O-CG 3.26Å; T30-L34 WeakPolarHBondContact O-CG 3.36Å; T30-L34 PolarHBondContact O-N 3.24Å; L34-L36 VanDerWaalsContact C-N 3.25Å; L34-L36 PolarHBondContact O-N 2.6Å; L34-G37 PolarHBondContact O-N 2.91Å |
| 35 | S | 81.4 | Confident | 70.4 | Confident | 19 Ų | 19 | 78 Ų | 78 | 13% | 0.133 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -62.8 | -34.8 | 175.7 | -58.4 | 0 | 0 | 0 | 0 | 111.4 | E31 A32 Y39 | E31-S35 WeakPolarHBondContact O-CB 3.43Å; E31-S35 PolarHBondContact O-N 3.07Å; E31-S35 PolarHBondContact O-OG 2.7Å; A32-S35 PolarHBondContact O-N 2.82Å; S35-Y39 WeakPolarHBondContact O-CD2 3.37Å; S35-Y39 VanDerWaalsContact O-CE2 3.27Å; S35-Y39 WeakPolarHBondContact O-CE2 3.41Å |
| 36 | L | 77.2 | Confident | 68.7 | Low | 26 Ų | 26 | 80 Ų | 80 | 14% | 0.136 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -74.7 | -27.1 | 175.2 | -65.5 | 175.2 | 0 | 0 | 0 | 113.6 | A6 A32 L33 L34 Q38 Y39 I52 I55 K56 | A6-L36 HydrophobicContact CB-CD2 3.81Å; A6-L36 HydrophobicContact CB-CG 4.06Å; A32-L36 WeakPolarHBondContact O-CG 3.19Å; A32-L36 PolarHBondContact O-N 3.24Å; A32-L36 VanDerWaalsContact O-N 3.13Å; L33-L36 PolarHBondContact O-N 2.87Å; L34-L36 VanDerWaalsContact C-N 3.25Å; L34-L36 PolarHBondContact O-N 2.6Å; L36-Q38 VanDerWaalsContact C-N 3.32Å; L36-Q38 PolarHBondContact O-N 3.07Å; L36-Y39 WeakPolarHBondContact O-CD2 3.09Å; L36-I52 HydrophobicContact CD2-CG2 4.26Å; L36-I55 HydrophobicContact CD1-CB 4.35Å; L36-I55 HydrophobicContact CD1-CG2 4Å; L36-K56 HydrophobicContact CD1-CB 3.96Å; L36-K56 HydrophobicContact CD1-CG 4.47Å |
| 37 | G | 63.5 | Low | 66.8 | Low | 65 Ų | 65 | 80.6 Ų | 80.6 | 67% | 0.67 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -77.8 | -10.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | L33 L34 Y39 | L33-G37 PolarHBondContact O-N 2.67Å; L33-G37 VanDerWaalsContact O-N 3.08Å; L34-G37 PolarHBondContact O-N 2.91Å; G37-Y39 VanDerWaalsContact C-N 3.31Å |
| 38 | Q | 61.3 | Low | 65.2 | Low | 149 Ų | 149 | 77 Ų | 77 | 70% | 0.696 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | 0.4 | 179.6 | -69 | 176.2 | -0.5 | 0 | 0 | 113.6 | L36 | L36-Q38 VanDerWaalsContact C-N 3.32Å; L36-Q38 PolarHBondContact O-N 3.07Å |
| 39 | Y | 55.9 | Low | 64 | Low | 104 Ų | 104 | 79.3 Ų | 79.3 | 41% | 0.408 | 46% | 0.463 | S | S | . | . | trans | -87 | 113.9 | 178.7 | -72 | -98.7 | 0 | 0 | 0 | 111.6 | D3 S35 L36 G37 | D3-Y39 VanDerWaalsContact CG-OH 3.22Å; D3-Y39 WeakPolarHBondContact OD1-CE1 3.48Å; D3-Y39 VanDerWaalsContact OD1-CZ 3.31Å; D3-Y39 PolarHBondContact OD1-OH 3.3Å; S35-Y39 WeakPolarHBondContact O-CD2 3.37Å; S35-Y39 VanDerWaalsContact O-CE2 3.27Å; S35-Y39 WeakPolarHBondContact O-CE2 3.41Å; L36-Y39 WeakPolarHBondContact O-CD2 3.09Å; G37-Y39 VanDerWaalsContact C-N 3.31Å | ||
| 40 | S | 42.1 | Very low | 62.8 | Low | 105 Ų | 105 | 85 Ų | 85 | 73% | 0.734 | 49% | 0.493 | S | S | * | . | trans | -91.8 | 141.9 | 166.3 | -178.2 | 0 | 0 | 0 | 0 | 110 | A42 | S40-A42 PolarHBondContact O-N 3.42Š| ||
| 41 | M | 45.8 | Very low | 62 | Low | 168 Ų | 168 | 86 Ų | 86 | 83% | 0.828 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | 27.8 | -176.2 | -77.4 | -78 | -76.1 | 0 | 0 | 115.4 | F44 | M41-F44 HydrophobicContact SD-CE2 4.44Š|
| 42 | A | 42.7 | Very low | 61.5 | Low | 73 Ų | 73 | 84.8 Ų | 84.8 | 60% | 0.603 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.6 | -17.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | S40 | S40-A42 PolarHBondContact O-N 3.42Š|
| 43 | D | 42.5 | Very low | 61 | Low | 148 Ų | 148 | 87 Ų | 87 | 79% | 0.791 | 50% | 0.499 | S | S | * | . | trans | -133.9 | 89.2 | -176.3 | -74.2 | -44.9 | 0 | 0 | 0 | 112.5 | T45 | D43-T45 PolarHBondContact O-N 3.21Å; D43-T45 VanDerWaalsContact O-N 3.11Å | ||
| 44 | F | 45.4 | Very low | 60.9 | Low | 147 Ų | 147 | 87 Ų | 87 | 65% | 0.645 | 50% | 0.497 | S | S | * | . | trans | -80.5 | 88.7 | 173.7 | -89.5 | -83.8 | 0 | 0 | 0 | 111.6 | M41 P49 | M41-F44 HydrophobicContact SD-CE2 4.44Å; F44-P49 HydrophobicContact CE1-CG 4.49Å | ||
| 45 | T | 47.6 | Very low | 60.9 | Low | 149 Ų | 149 | 82 Ų | 82 | 91% | 0.914 | 47% | 0.471 | S | S | * | . | trans | -134.7 | 36.9 | 152 | 48.6 | 0 | 0 | 0 | 0 | 111.2 | D43 | D43-T45 PolarHBondContact O-N 3.21Å; D43-T45 VanDerWaalsContact O-N 3.11Å | ||
| 46 | G | 52.7 | Low | 61 | Low | 41 Ų | 41 | 83.9 Ų | 83.9 | 42% | 0.423 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -124.1 | 175.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 47 | P | 47.7 | Very low | 61.4 | Low | 39 Ų | 39 | 83.6 Ų | 83.6 | 25% | 0.253 | 48% | 0.475 | S | S | . | . | trans | -59.7 | 161.2 | -168.8 | 18.6 | -26.4 | 0 | 0 | 0 | 114.8 | D3 | D3-P47 HydrophobicContact CB-CG 4.08Å; D3-P47 VanDerWaalsContact OD1-CD 3.27Å; D3-P47 WeakPolarHBondContact OD1-CD 3.4Å | ||
| 48 | C | 55.6 | Low | 62.6 | Low | 77 Ų | 77 | 80.6 Ų | 80.6 | 52% | 0.52 | 44% | 0.444 | S | S | . | . | trans | -54 | 136.5 | -177.4 | -169.9 | 0 | 0 | 0 | 0 | 111 | L50 E51 | C48-L50 PolarHBondContact O-N 2.93Å; C48-E51 PolarHBondContact O-N 2.8Å | ||
| 49 | P | 63.3 | Low | 63.9 | Low | 74 Ų | 74 | 73.5 Ų | 73.5 | 48% | 0.481 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -49.4 | -29.4 | -177.1 | -30.7 | 35.2 | 0 | 0 | 0 | 115.5 | F44 E53 | F44-P49 HydrophobicContact CE1-CG 4.49Å; P49-E53 PolarHBondContact O-N 2.85Å |
| 50 | L | 65.1 | Low | 65.5 | Low | 119 Ų | 119 | 68.8 Ų | 68.8 | 62% | 0.623 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -69.8 | -29.1 | 179.2 | -65.5 | 170.5 | 0 | 0 | 0 | 113.9 | C48 R54 | C48-L50 PolarHBondContact O-N 2.93Å; L50-R54 WeakPolarHBondContact O-CB 3.11Å; L50-R54 PolarHBondContact O-N 3.05Å |
| 51 | E | 70.8 | Confident | 67.8 | Low | 79 Ų | 79 | 63.9 Ų | 63.9 | 37% | 0.369 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -77.1 | -36.8 | -178.4 | -169.9 | 158.5 | -139 | 0 | 0 | 111.6 | C48 R54 I55 | C48-E51 PolarHBondContact O-N 2.8Å; E51-R54 PolarHBondContact O-N 3.08Å; E51-I55 HydrophobicContact CG-CD1 4.34Å; E51-I55 VanDerWaalsContact O-CG1 3.3Å; E51-I55 WeakPolarHBondContact O-CG1 3.47Å; E51-I55 PolarHBondContact O-N 2.8Å |
| 52 | I | 75.6 | Confident | 70 | Confident | 56 Ų | 56 | 55.9 Ų | 55.9 | 29% | 0.287 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.4 | -44.7 | 172.1 | -69.8 | 169.4 | 0 | 0 | 0 | 110.4 | L36 I55 K56 | L36-I52 HydrophobicContact CD2-CG2 4.26Å; I52-I55 PolarHBondContact O-N 2.79Å; I52-K56 WeakPolarHBondContact O-CB 3.47Å; I52-K56 PolarHBondContact O-N 2.72Å |
| 53 | E | 75.6 | Confident | 72.3 | Confident | 46 Ų | 46 | 54.5 Ų | 54.5 | 22% | 0.215 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.8 | -40.4 | 177.4 | -72.9 | -173.9 | 167 | 0 | 0 | 112.4 | P49 K56 I57 K90 | P49-E53 PolarHBondContact O-N 2.85Å; E53-K56 PolarHBondContact O-N 3.49Å; E53-I57 WeakPolarHBondContact O-CG1 3.49Å; E53-I57 PolarHBondContact O-N 3.22Å; E53-K90 WeakPolarHBondContact OE1-CD 3.44Å; E53-K90 WeakPolarHBondContact OE1-CE 3.25Å; E53-K90 IonicContact OE1-NZ 3.44Å; E53-K90 PolarHBondContact OE1-NZ 3.08Å |
| 54 | R | 83.3 | Confident | 74.5 | Confident | 30 Ų | 30 | 47.5 Ų | 47.5 | 11% | 0.113 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.1 | -52.6 | 173.2 | 176.3 | -170.4 | 151.8 | -125.1 | -19.2 | 111.6 | E7 L50 E51 K56 I57 E58 V98 | E7-R54 IonicContact OE1-NH1 3.47Å; L50-R54 WeakPolarHBondContact O-CB 3.11Å; L50-R54 PolarHBondContact O-N 3.05Å; E51-R54 PolarHBondContact O-N 3.08Å; R54-K56 VanDerWaalsContact C-N 3.28Å; R54-K56 PolarHBondContact O-N 3.25Å; R54-I57 PolarHBondContact O-N 3.35Å; R54-E58 HydrophobicContact CG-CG 4.43Å; R54-E58 WeakPolarHBondContact CG-OE1 3.35Å; R54-E58 IonicContact CZ-OE1 3.06Å; R54-E58 IonicContact NE-OE1 3.92Å; R54-E58 PolarHBondContact NE-OE1 2.8Å; R54-E58 IonicContact NH2-OE1 2.74Å; R54-E58 PolarHBondContact NH2-OE1 2.87Å; R54-E58 VanDerWaalsContact NH2-OE1 3.12Å; R54-E58 IonicContact NH2-OE2 3.67Å; R54-E58 WeakPolarHBondContact O-CB 3.06Å; R54-E58 WeakPolarHBondContact O-CG 3.34Å; R54-E58 PolarHBondContact O-N 3.05Å; R54-V98 HydrophobicContact CB-CG2 4.09Å; R54-V98 HydrophobicContact CG-CG1 4.19Å; R54-V98 HydrophobicContact CG-CG2 4.37Å |
| 55 | I | 83.5 | Confident | 76.6 | Confident | 9 Ų | 9 | 40.6 Ų | 40.6 | 5% | 0.046 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.2 | -37.1 | -178.2 | -63.6 | 164.6 | 0 | 0 | 0 | 110.8 | A6 E7 C10 L36 E51 I52 S59 | A6-I55 HydrophobicContact CB-CG2 4.41Å; E7-I55 HydrophobicContact CB-CD1 3.82Å; E7-I55 HydrophobicContact CG-CD1 4.25Å; C10-I55 HydrophobicContact CB-CG2 3.89Å; L36-I55 HydrophobicContact CD1-CB 4.35Å; L36-I55 HydrophobicContact CD1-CG2 4Å; E51-I55 HydrophobicContact CG-CD1 4.34Å; E51-I55 VanDerWaalsContact O-CG1 3.3Å; E51-I55 WeakPolarHBondContact O-CG1 3.47Å; E51-I55 PolarHBondContact O-N 2.8Å; I52-I55 PolarHBondContact O-N 2.79Å; I55-S59 VanDerWaalsContact O-CB 3.27Å; I55-S59 WeakPolarHBondContact O-CB 3.44Å; I55-S59 PolarHBondContact O-N 3.4Å; I55-S59 PolarHBondContact O-OG 3.43Å |
| 56 | K | 84.3 | Confident | 78.7 | Confident | 58 Ų | 58 | 33.5 Ų | 33.5 | 25% | 0.252 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62.4 | -49.3 | 175.9 | -165.7 | -177.8 | -173.9 | -170.2 | 0 | 111.6 | L33 L36 I52 E53 R54 S59 L60 E86 | L33-K56 HydrophobicContact CD2-CG 3.91Å; L36-K56 HydrophobicContact CD1-CB 3.96Å; L36-K56 HydrophobicContact CD1-CG 4.47Å; I52-K56 WeakPolarHBondContact O-CB 3.47Å; I52-K56 PolarHBondContact O-N 2.72Å; E53-K56 PolarHBondContact O-N 3.49Å; R54-K56 VanDerWaalsContact C-N 3.28Å; R54-K56 PolarHBondContact O-N 3.25Å; K56-S59 PolarHBondContact O-N 2.94Å; K56-L60 HydrophobicContact CG-CD1 4.26Å; K56-L60 VanDerWaalsContact O-CG 3.32Å; K56-L60 WeakPolarHBondContact O-CG 3.49Å; K56-L60 PolarHBondContact O-N 3.44Å; K56-E86 WeakPolarHBondContact CE-OE2 3.38Å; K56-E86 VanDerWaalsContact NZ-CD 3.28Å; K56-E86 IonicContact NZ-OE1 3.99Å; K56-E86 PolarHBondContact NZ-OE1 2.82Å; K56-E86 VanDerWaalsContact NZ-OE1 3.08Å; K56-E86 IonicContact NZ-OE2 3.27Å; K56-E86 PolarHBondContact NZ-OE2 3.42Å |
| 57 | I | 85.7 | Confident | 80.4 | Confident | 20 Ų | 20 | 33 Ų | 33 | 10% | 0.103 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.4 | -46.8 | 179.7 | -69.2 | 161.6 | 0 | 0 | 0 | 111 | E53 R54 S59 L60 L61 F95 V98 | E53-I57 WeakPolarHBondContact O-CG1 3.49Å; E53-I57 PolarHBondContact O-N 3.22Å; R54-I57 PolarHBondContact O-N 3.35Å; I57-S59 VanDerWaalsContact C-N 3.33Å; I57-S59 PolarHBondContact O-N 3.05Å; I57-L60 PolarHBondContact O-N 2.77Å; I57-L61 HydrophobicContact CG2-CD1 3.94Å; I57-L61 HydrophobicContact CG2-CG 4.44Å; I57-L61 WeakPolarHBondContact O-CG 3.27Å; I57-L61 PolarHBondContact O-N 3.13Å; I57-F95 HydrophobicContact CD1-CD2 4.05Å; I57-F95 HydrophobicContact CG1-CD2 4.37Å; I57-F95 HydrophobicContact CG2-CD2 3.95Å; I57-F95 HydrophobicContact CG2-CE2 3.76Å; I57-V98 HydrophobicContact CB-CG1 4.05Å; I57-V98 HydrophobicContact CD1-CB 4.38Å; I57-V98 HydrophobicContact CD1-CG2 4.11Å; I57-V98 HydrophobicContact CG2-CB 4.45Å; I57-V98 HydrophobicContact CG2-CG1 3.76Å |
| 58 | E | 88.2 | Confident | 82.2 | Confident | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.009 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -56.5 | -47.8 | 176.7 | -74.6 | -169 | -149.1 | 0 | 0 | 110.9 | C10 R54 L60 L61 Y62 V98 M102 | C10-E58 VanDerWaalsContact SG-CB 3.6Å; R54-E58 HydrophobicContact CG-CG 4.43Å; R54-E58 WeakPolarHBondContact CG-OE1 3.35Å; R54-E58 IonicContact CZ-OE1 3.06Å; R54-E58 IonicContact NE-OE1 3.92Å; R54-E58 PolarHBondContact NE-OE1 2.8Å; R54-E58 IonicContact NH2-OE1 2.74Å; R54-E58 PolarHBondContact NH2-OE1 2.87Å; R54-E58 VanDerWaalsContact NH2-OE1 3.12Å; R54-E58 IonicContact NH2-OE2 3.67Å; R54-E58 WeakPolarHBondContact O-CB 3.06Å; R54-E58 WeakPolarHBondContact O-CG 3.34Å; R54-E58 PolarHBondContact O-N 3.05Å; E58-L60 PolarHBondContact O-N 3.25Å; E58-L61 PolarHBondContact O-N 3.42Å; E58-Y62 HydrophobicContact CB-CE2 4.02Å; E58-Y62 WeakPolarHBondContact O-CD2 3.45Å; E58-Y62 VanDerWaalsContact O-CG 3.31Å; E58-Y62 PolarHBondContact O-N 3.08Å; E58-Y62 VanDerWaalsContact O-N 3.07Å; E58-Y62 PolarHBondContact OE2-OH 3.29Å; E58-V98 HydrophobicContact CG-CG1 4.5Å; E58-M102 HydrophobicContact CB-CE 4.35Å; E58-M102 HydrophobicContact CB-SD 4.47Å; E58-M102 HydrophobicContact CG-CE 3.97Å; E58-M102 HydrophobicContact CG-CG 3.78Å; E58-M102 HydrophobicContact CG-SD 3.67Å |
| 59 | S | 89.3 | Confident | 83.7 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.7 | -39.7 | -178.7 | -57.3 | 0 | 0 | 0 | 0 | 112.7 | C10 C29 I55 K56 I57 R63 | C10-S59 PolarHBondContact SG-OG 3.43Å; C29-S59 PolarHBondContact SG-O 3.22Å; I55-S59 VanDerWaalsContact O-CB 3.27Å; I55-S59 WeakPolarHBondContact O-CB 3.44Å; I55-S59 PolarHBondContact O-N 3.4Å; I55-S59 PolarHBondContact O-OG 3.43Å; K56-S59 PolarHBondContact O-N 2.94Å; I57-S59 VanDerWaalsContact C-N 3.33Å; I57-S59 PolarHBondContact O-N 3.05Å; S59-R63 VanDerWaalsContact O-CB 3.31Å; S59-R63 WeakPolarHBondContact O-CB 3.27Å; S59-R63 PolarHBondContact O-N 3.46Å |
| 60 | L | 89.3 | Confident | 84.8 | Confident | 5 Ų | 5 | 30.4 Ų | 30.4 | 3% | 0.026 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -67.2 | -39.6 | 176.4 | -72 | 167.5 | 0 | 0 | 0 | 111.8 | L33 K56 I57 E58 R63 I64 V83 | L33-L60 HydrophobicContact CD1-CD2 3.74Å; L33-L60 HydrophobicContact CD1-CG 4.22Å; L33-L60 HydrophobicContact CD2-CD2 4.37Å; L33-L60 HydrophobicContact CD2-CG 4.13Å; K56-L60 HydrophobicContact CG-CD1 4.26Å; K56-L60 VanDerWaalsContact O-CG 3.32Å; K56-L60 WeakPolarHBondContact O-CG 3.49Å; K56-L60 PolarHBondContact O-N 3.44Å; I57-L60 PolarHBondContact O-N 2.77Å; E58-L60 PolarHBondContact O-N 3.25Å; L60-R63 PolarHBondContact O-N 3.23Å; L60-I64 WeakPolarHBondContact O-CD1 3.25Å; L60-I64 VanDerWaalsContact O-CG1 3.23Å; L60-I64 WeakPolarHBondContact O-CG1 3.36Å; L60-I64 PolarHBondContact O-N 2.94Å; L60-V83 HydrophobicContact CB-CG2 3.33Å; L60-V83 HydrophobicContact CD1-CG2 3.64Å; L60-V83 HydrophobicContact CG-CG2 4.05Å |
| 61 | L | 90.3 | Very high | 85.7 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.9 | -41.6 | 177.4 | -70.7 | 172.8 | 0 | 0 | 0 | 112.5 | I57 E58 R63 A65 V83 L99 M102 V111 L135 | I57-L61 HydrophobicContact CG2-CD1 3.94Å; I57-L61 HydrophobicContact CG2-CG 4.44Å; I57-L61 WeakPolarHBondContact O-CG 3.27Å; I57-L61 PolarHBondContact O-N 3.13Å; E58-L61 PolarHBondContact O-N 3.42Å; L61-R63 VanDerWaalsContact C-N 3.32Å; L61-A65 PolarHBondContact O-N 3.32Å; L61-A65 VanDerWaalsContact O-N 3.08Å; L61-V83 HydrophobicContact CD2-CG1 4.37Å; L61-L99 HydrophobicContact CD1-CD2 3.62Å; L61-M102 HydrophobicContact CD1-CE 4.04Å; L61-M102 HydrophobicContact CD1-SD 3.68Å; L61-V111 HydrophobicContact CB-CG1 4.33Å; L61-L135 HydrophobicContact CD2-CD1 3.99Å; L61-L135 HydrophobicContact CD2-CD2 3.98Å |
| 62 | Y | 91.6 | Very high | 86.4 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66.6 | -35.4 | 173.8 | -58 | -37 | 0 | 0 | 0 | 112.1 | A13 C14 L17 E58 A65 S66 M102 K107 V111 | A13-Y62 HydrophobicContact CB-CD2 4.23Å; C14-Y62 HydrophobicContact CB-CD2 4.43Å; C14-Y62 HydrophobicContact CB-CE1 4.32Å; C14-Y62 HydrophobicContact CB-CE2 3.81Å; L17-Y62 HydrophobicContact CD2-CD1 3.6Å; L17-Y62 HydrophobicContact CD2-CE1 4.44Å; L17-Y62 HydrophobicContact CD2-CG 4.25Å; E58-Y62 HydrophobicContact CB-CE2 4.02Å; E58-Y62 WeakPolarHBondContact O-CD2 3.45Å; E58-Y62 VanDerWaalsContact O-CG 3.31Å; E58-Y62 PolarHBondContact O-N 3.08Å; E58-Y62 VanDerWaalsContact O-N 3.07Å; E58-Y62 PolarHBondContact OE2-OH 3.29Å; Y62-A65 PolarHBondContact O-N 2.9Å; Y62-S66 WeakPolarHBondContact O-CB 3.29Å; Y62-S66 PolarHBondContact O-N 3.43Å; Y62-S66 PolarHBondContact O-OG 2.84Å; Y62-M102 HydrophobicContact CE1-CE 3.81Å; Y62-K107 WeakPolarHBondContact OH-CB 3.42Å; Y62-V111 HydrophobicContact CD1-CG2 3.63Å; Y62-V111 HydrophobicContact CE1-CG2 3.96Å |
| 63 | R | 90.9 | Very high | 86.6 | Confident | 44 Ų | 44 | 30.8 Ų | 30.8 | 17% | 0.166 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.7 | -44 | 176.9 | -159.1 | 168.1 | 69.7 | 178.4 | -1.1 | 112 | L26 C29 S59 L60 L61 S66 F67 D79 | L26-R63 HydrophobicContact CD2-CB 4.45Å; L26-R63 HydrophobicContact CD2-CG 3.51Å; C29-R63 HydrophobicContact CB-CB 3.91Å; C29-R63 HydrophobicContact CB-CG 4.09Å; S59-R63 VanDerWaalsContact O-CB 3.31Å; S59-R63 WeakPolarHBondContact O-CB 3.27Å; S59-R63 PolarHBondContact O-N 3.46Å; L60-R63 PolarHBondContact O-N 3.23Å; L61-R63 VanDerWaalsContact C-N 3.32Å; R63-S66 PolarHBondContact O-N 3.48Å; R63-F67 HydrophobicContact CG-CD2 3.99Å; R63-F67 HydrophobicContact CG-CE2 3.59Å; R63-F67 HydrophobicContact CG-CZ 4.28Å; R63-F67 WeakPolarHBondContact O-CD2 3.42Å; R63-F67 PolarHBondContact O-N 2.95Å; R63-D79 IonicContact CZ-OD1 2.65Å; R63-D79 IonicContact CZ-OD2 3.68Å; R63-D79 IonicContact NE-OD1 3.1Å; R63-D79 IonicContact NE-OD2 3.9Å; R63-D79 PolarHBondContact NE-OD2 3.38Å; R63-D79 VanDerWaalsContact NH2-CG 3.27Å; R63-D79 IonicContact NH2-OD1 2.89Å; R63-D79 PolarHBondContact NH2-OD1 3.41Å; R63-D79 IonicContact NH2-OD2 3.14Å; R63-D79 PolarHBondContact NH2-OD2 2.74Å |
| 64 | I | 89.5 | Confident | 86.9 | Confident | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -57.6 | -50.7 | 172.9 | -68.3 | 162.5 | 0 | 0 | 0 | 110.3 | L60 S66 F67 L68 A76 D79 C80 V83 L132 L135 | L60-I64 WeakPolarHBondContact O-CD1 3.25Å; L60-I64 VanDerWaalsContact O-CG1 3.23Å; L60-I64 WeakPolarHBondContact O-CG1 3.36Å; L60-I64 PolarHBondContact O-N 2.94Å; I64-S66 VanDerWaalsContact C-N 3.29Å; I64-S66 PolarHBondContact O-N 2.77Å; I64-F67 PolarHBondContact O-N 3.49Å; I64-L68 HydrophobicContact CG2-CD1 3.89Å; I64-L68 HydrophobicContact CG2-CG 4.37Å; I64-L68 VanDerWaalsContact O-CG 3.26Å; I64-L68 WeakPolarHBondContact O-CG 3.28Å; I64-L68 PolarHBondContact O-N 2.63Å; I64-A76 HydrophobicContact CG2-CB 4.5Å; I64-D79 HydrophobicContact CD1-CB 4.03Å; I64-D79 HydrophobicContact CG1-CB 3.51Å; I64-C80 HydrophobicContact CD1-CB 4.19Å; I64-V83 HydrophobicContact CD1-CG2 4.13Å; I64-L132 HydrophobicContact CG2-CD2 4.02Å; I64-L135 HydrophobicContact CD1-CD2 4.13Å |
| 65 | A | 89 | Confident | 86.9 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.008 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58 | -42.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L17 L61 Y62 L68 Q69 V111 I114 | L17-A65 HydrophobicContact CD1-CB 4.12Å; L17-A65 HydrophobicContact CD2-CB 4.14Å; L61-A65 PolarHBondContact O-N 3.32Å; L61-A65 VanDerWaalsContact O-N 3.08Å; Y62-A65 PolarHBondContact O-N 2.9Å; A65-L68 PolarHBondContact O-N 2.73Å; A65-Q69 PolarHBondContact O-N 3.09Å; A65-V111 HydrophobicContact CB-CG1 4.29Å; A65-V111 HydrophobicContact CB-CG2 4.29Å; A65-I114 HydrophobicContact CB-CB 4.31Å; A65-I114 HydrophobicContact CB-CD1 4.13Å; A65-I114 HydrophobicContact CB-CG2 3.88Å; A65-I114 WeakPolarHBondContact O-CG2 3.3Å |
| 66 | S | 90.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.7 | -43 | 178.9 | -54.4 | 0 | 0 | 0 | 0 | 112.1 | A25 Y62 R63 I64 L68 Q69 L70 | A25-S66 WeakPolarHBondContact CB-OG 3.47Å; Y62-S66 WeakPolarHBondContact O-CB 3.29Å; Y62-S66 PolarHBondContact O-N 3.43Å; Y62-S66 PolarHBondContact O-OG 2.84Å; R63-S66 PolarHBondContact O-N 3.48Å; I64-S66 VanDerWaalsContact C-N 3.29Å; I64-S66 PolarHBondContact O-N 2.77Å; S66-L68 VanDerWaalsContact C-N 3.35Å; S66-L68 PolarHBondContact O-N 3.28Å; S66-Q69 PolarHBondContact O-N 3.29Å; S66-L70 WeakPolarHBondContact O-CG 3.39Å; S66-L70 PolarHBondContact O-N 3.37Å |
| 67 | F | 89 | Confident | 86.8 | Confident | 30 Ų | 30 | 32.7 Ų | 32.7 | 13% | 0.132 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.4 | -36.6 | 175.6 | -77.7 | -44.9 | 0 | 0 | 0 | 113.1 | L26 R63 I64 Q69 L70 K71 N72 Q75 A76 | L26-F67 HydrophobicContact CD1-CD1 3.75Å; L26-F67 HydrophobicContact CD1-CE1 3.52Å; L26-F67 HydrophobicContact CD1-CZ 4.31Å; L26-F67 HydrophobicContact CD2-CD1 3.81Å; L26-F67 HydrophobicContact CD2-CD2 4.11Å; L26-F67 HydrophobicContact CD2-CE1 3.68Å; L26-F67 HydrophobicContact CD2-CE2 4Å; L26-F67 HydrophobicContact CD2-CG 4.01Å; L26-F67 HydrophobicContact CD2-CZ 3.78Å; L26-F67 HydrophobicContact CG-CD1 4.44Å; L26-F67 HydrophobicContact CG-CE1 4.27Å; R63-F67 HydrophobicContact CG-CD2 3.99Å; R63-F67 HydrophobicContact CG-CE2 3.59Å; R63-F67 HydrophobicContact CG-CZ 4.28Å; R63-F67 WeakPolarHBondContact O-CD2 3.42Å; R63-F67 PolarHBondContact O-N 2.95Å; I64-F67 PolarHBondContact O-N 3.49Å; F67-Q69 VanDerWaalsContact C-N 3.33Å; F67-Q69 PolarHBondContact O-N 3.08Å; F67-L70 CarbonylContact O-C 3.5Å; F67-L70 PolarHBondContact O-N 3.34Å; F67-K71 PolarHBondContact O-N 2.72Å; F67-K71 VanDerWaalsContact O-N 3.11Å; F67-N72 HydrophobicContact CB-CB 4.35Å; F67-N72 HydrophobicContact CD1-CB 3.92Å; F67-N72 HydrophobicContact CG-CB 4.49Å; F67-N72 PolarHBondContact O-N 2.97Å; F67-Q75 HydrophobicContact CD1-CB 4.28Å; F67-Q75 HydrophobicContact CD2-CB 3.81Å; F67-Q75 HydrophobicContact CE1-CB 4.19Å; F67-Q75 HydrophobicContact CE2-CB 3.68Å; F67-Q75 HydrophobicContact CG-CB 4.12Å; F67-Q75 HydrophobicContact CZ-CB 3.9Å; F67-Q75 HydrophobicContact CZ-CG 4.31Å; F67-A76 HydrophobicContact CB-CB 3.83Å |
| 68 | L | 85.7 | Confident | 86.7 | Confident | 6 Ų | 6 | 36.6 Ų | 36.6 | 3% | 0.031 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.8 | -36.2 | 175.9 | -70.6 | 171.7 | 0 | 0 | 0 | 112.4 | I64 A65 S66 K71 Y73 A76 I114 L115 L132 | I64-L68 HydrophobicContact CG2-CD1 3.89Å; I64-L68 HydrophobicContact CG2-CG 4.37Å; I64-L68 VanDerWaalsContact O-CG 3.26Å; I64-L68 WeakPolarHBondContact O-CG 3.28Å; I64-L68 PolarHBondContact O-N 2.63Å; A65-L68 PolarHBondContact O-N 2.73Å; S66-L68 VanDerWaalsContact C-N 3.35Å; S66-L68 PolarHBondContact O-N 3.28Å; L68-K71 PolarHBondContact O-N 2.57Å; L68-Y73 HydrophobicContact CD2-CD1 3.92Å; L68-Y73 HydrophobicContact CD2-CE1 4.3Å; L68-A76 HydrophobicContact CD2-CB 3.87Å; L68-A76 HydrophobicContact CG-CB 4.01Å; L68-I114 HydrophobicContact CB-CG2 4.3Å; L68-L115 HydrophobicContact CD1-CD1 3.39Å; L68-L132 HydrophobicContact CD1-CD2 4.49Å; L68-L132 HydrophobicContact CD2-CD1 4.28Å |
| 69 | Q | 87.1 | Confident | 86.5 | Confident | 63 Ų | 63 | 37.1 Ų | 37.1 | 29% | 0.294 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -73.9 | -33.8 | 175.4 | -70 | -63.4 | -48.6 | 0 | 0 | 112.5 | Y22 A65 S66 F67 K71 I114 | Y22-Q69 HydrophobicContact CD1-CB 3.94Å; Y22-Q69 HydrophobicContact CD1-CG 4.11Å; Y22-Q69 HydrophobicContact CD2-CB 3.74Å; Y22-Q69 HydrophobicContact CD2-CG 4.45Å; Y22-Q69 HydrophobicContact CE1-CB 3.97Å; Y22-Q69 HydrophobicContact CE1-CG 3.69Å; Y22-Q69 HydrophobicContact CE2-CB 3.75Å; Y22-Q69 HydrophobicContact CE2-CG 4.05Å; Y22-Q69 HydrophobicContact CG-CB 3.83Å; Y22-Q69 HydrophobicContact CG-CG 4.47Å; A65-Q69 PolarHBondContact O-N 3.09Å; S66-Q69 PolarHBondContact O-N 3.29Å; F67-Q69 VanDerWaalsContact C-N 3.33Å; F67-Q69 PolarHBondContact O-N 3.08Å; Q69-K71 PolarHBondContact O-N 3.01Å; Q69-I114 HydrophobicContact CG-CD1 4.1Å; Q69-I114 HydrophobicContact CG-CG1 4.08Å; Q69-I114 HydrophobicContact CG-CG2 3.71Å |
| 70 | L | 86.8 | Confident | 86.3 | Confident | 68 Ų | 68 | 37.1 Ų | 37.1 | 36% | 0.356 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 7.5 | 174.3 | -65.5 | 170.6 | 0 | 0 | 0 | 113.5 | E23 L26 S66 F67 N72 | E23-L70 HydrophobicContact CG-CD1 4.33Å; E23-L70 HydrophobicContact CG-CD2 4.26Å; L26-L70 HydrophobicContact CD1-CD1 3.4Å; L26-L70 HydrophobicContact CG-CD1 4.23Å; S66-L70 WeakPolarHBondContact O-CG 3.39Å; S66-L70 PolarHBondContact O-N 3.37Å; F67-L70 CarbonylContact O-C 3.5Å; F67-L70 PolarHBondContact O-N 3.34Å; L70-N72 PolarHBondContact O-N 3.34Å |
| 71 | K | 84.1 | Confident | 85.9 | Confident | 152 Ų | 152 | 41.5 Ų | 41.5 | 66% | 0.661 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 24.9 | -179.3 | -55.4 | -178.6 | 178.7 | -179.8 | 0 | 114.2 | F67 L68 Q69 Y73 | F67-K71 PolarHBondContact O-N 2.72Å; F67-K71 VanDerWaalsContact O-N 3.11Å; L68-K71 PolarHBondContact O-N 2.57Å; Q69-K71 PolarHBondContact O-N 3.01Å; K71-Y73 HydrophobicContact CB-CE2 3.91Å; K71-Y73 VanDerWaalsContact O-CD2 3.25Å; K71-Y73 WeakPolarHBondContact O-CD2 3.2Å; K71-Y73 WeakPolarHBondContact O-CE2 3.31Å; K71-Y73 PolarHBondContact O-N 3.19Å |
| 72 | N | 84.1 | Confident | 85.5 | Confident | 57 Ų | 57 | 44.9 Ų | 44.9 | 31% | 0.305 | 21% | 0.209 | S | C | . | . | trans | -96.7 | 68.7 | -179.7 | -157.9 | 13.9 | 0 | 0 | 0 | 111.3 | F67 L70 V74 Q75 A76 | F67-N72 HydrophobicContact CB-CB 4.35Å; F67-N72 HydrophobicContact CD1-CB 3.92Å; F67-N72 HydrophobicContact CG-CB 4.49Å; F67-N72 PolarHBondContact O-N 2.97Å; L70-N72 PolarHBondContact O-N 3.34Å; N72-V74 VanDerWaalsContact C-N 3.33Å; N72-V74 PolarHBondContact O-N 3.08Å; N72-Q75 PolarHBondContact ND2-NE2 3.06Å; N72-Q75 PolarHBondContact ND2-OE1 3.41Å; N72-Q75 VanDerWaalsContact ND2-OE1 3.14Å; N72-Q75 PolarHBondContact OD1-OE1 3.02Å; N72-A76 PolarHBondContact O-N 3.44Å | ||
| 73 | Y | 81.5 | Confident | 85 | Confident | 52 Ų | 52 | 45 Ų | 45 | 20% | 0.204 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.3 | -26.9 | -166.6 | -55.4 | -72.4 | 0 | 0 | 0 | 114.5 | L68 K71 A76 D77 L124 | L68-Y73 HydrophobicContact CD2-CD1 3.92Å; L68-Y73 HydrophobicContact CD2-CE1 4.3Å; K71-Y73 HydrophobicContact CB-CE2 3.91Å; K71-Y73 VanDerWaalsContact O-CD2 3.25Å; K71-Y73 WeakPolarHBondContact O-CD2 3.2Å; K71-Y73 WeakPolarHBondContact O-CE2 3.31Å; K71-Y73 PolarHBondContact O-N 3.19Å; Y73-A76 PolarHBondContact O-N 3.26Å; Y73-D77 PolarHBondContact O-N 2.81Å; Y73-L124 HydrophobicContact CD1-CD2 4.24Å; Y73-L124 HydrophobicContact CE1-CD2 3.83Å |
| 74 | V | 81 | Confident | 84.4 | Confident | 84 Ų | 84 | 43.1 Ų | 43.1 | 51% | 0.509 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -69 | -47.2 | -178.5 | 177.6 | 0 | 0 | 0 | 0 | 110.8 | N72 A76 D77 E78 M127 | N72-V74 VanDerWaalsContact C-N 3.33Å; N72-V74 PolarHBondContact O-N 3.08Å; V74-A76 VanDerWaalsContact C-N 3.34Å; V74-D77 PolarHBondContact O-N 2.82Å; V74-E78 PolarHBondContact O-N 3.08Å; V74-M127 HydrophobicContact CG2-CE 3.5Å; V74-M127 VanDerWaalsContact CG2-CE 3.5Å |
| 75 | Q | 82.9 | Confident | 83.5 | Confident | 84 Ų | 84 | 45.1 Ų | 45.1 | 39% | 0.393 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -68.2 | -35.5 | 176 | -73.6 | 85.4 | -25 | 0 | 0 | 111.6 | F67 N72 D77 E78 D79 | F67-Q75 HydrophobicContact CD1-CB 4.28Å; F67-Q75 HydrophobicContact CD2-CB 3.81Å; F67-Q75 HydrophobicContact CE1-CB 4.19Å; F67-Q75 HydrophobicContact CE2-CB 3.68Å; F67-Q75 HydrophobicContact CG-CB 4.12Å; F67-Q75 HydrophobicContact CZ-CB 3.9Å; F67-Q75 HydrophobicContact CZ-CG 4.31Å; N72-Q75 PolarHBondContact ND2-NE2 3.06Å; N72-Q75 PolarHBondContact ND2-OE1 3.41Å; N72-Q75 VanDerWaalsContact ND2-OE1 3.14Å; N72-Q75 PolarHBondContact OD1-OE1 3.02Å; Q75-D77 VanDerWaalsContact C-N 3.31Å; Q75-D77 PolarHBondContact O-N 3.23Å; Q75-E78 PolarHBondContact O-N 3.48Å; Q75-D79 WeakPolarHBondContact O-CB 3.36Å; Q75-D79 PolarHBondContact O-N 3.15Å; Q75-D79 VanDerWaalsContact O-N 3.09Å |
| 76 | A | 84 | Confident | 82.1 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62 | -39 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I64 F67 L68 N72 Y73 V74 C80 | I64-A76 HydrophobicContact CG2-CB 4.5Å; F67-A76 HydrophobicContact CB-CB 3.83Å; L68-A76 HydrophobicContact CD2-CB 3.87Å; L68-A76 HydrophobicContact CG-CB 4.01Å; N72-A76 PolarHBondContact O-N 3.44Å; Y73-A76 PolarHBondContact O-N 3.26Å; V74-A76 VanDerWaalsContact C-N 3.34Å; A76-C80 VanDerWaalsContact O-CB 3.29Å; A76-C80 WeakPolarHBondContact O-CB 3.44Å; A76-C80 PolarHBondContact O-N 3.17Å |
| 77 | D | 81.4 | Confident | 80.5 | Confident | 16 Ų | 16 | 49 Ų | 49 | 9% | 0.086 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -69.3 | -45.9 | 175.9 | 175.5 | 59.6 | 0 | 0 | 0 | 113.1 | Y73 V74 Q75 D79 C80 R81 T129 | Y73-D77 PolarHBondContact O-N 2.81Å; V74-D77 PolarHBondContact O-N 2.82Å; Q75-D77 VanDerWaalsContact C-N 3.31Å; Q75-D77 PolarHBondContact O-N 3.23Å; D77-D79 VanDerWaalsContact C-N 3.28Å; D77-D79 PolarHBondContact O-N 2.82Å; D77-C80 CarbonylContact O-C 3.6Å; D77-C80 WeakPolarHBondContact O-CA 3.27Å; D77-C80 WeakPolarHBondContact O-CB 3.44Å; D77-C80 PolarHBondContact O-N 2.79Å; D77-R81 PolarHBondContact O-N 2.72Å; D77-R81 IonicContact OD2-CZ 2.7Å; D77-R81 IonicContact OD2-NE 2.66Å; D77-R81 PolarHBondContact OD2-NE 3Å; D77-R81 IonicContact OD2-NH2 3.52Å; D77-R81 PolarHBondContact OD2-NH2 3.44Å; D77-T129 HydrophobicContact CB-CG2 3.97Å; D77-T129 VanDerWaalsContact CG-OG1 3.3Å; D77-T129 WeakPolarHBondContact OD1-CB 3.33Å; D77-T129 WeakPolarHBondContact OD1-CG2 3.47Å; D77-T129 PolarHBondContact OD1-OG1 2.83Å; D77-T129 WeakPolarHBondContact OD2-CG2 3.39Å |
| 78 | E | 84 | Confident | 78.8 | Confident | 101 Ų | 101 | 50.1 Ų | 50.1 | 47% | 0.472 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -57.5 | -44.9 | 178.4 | -172.2 | 64.8 | -133.3 | 0 | 0 | 111.1 | V74 Q75 C80 R81 H82 | V74-E78 PolarHBondContact O-N 3.08Å; Q75-E78 PolarHBondContact O-N 3.48Å; E78-C80 VanDerWaalsContact C-N 3.31Å; E78-C80 PolarHBondContact O-N 3.04Å; E78-R81 VanDerWaalsContact CD-NH1 3.27Å; E78-R81 PolarHBondContact O-N 2.93Å; E78-R81 IonicContact OE1-CZ 3.54Å; E78-R81 IonicContact OE1-NH1 3.59Å; E78-R81 PolarHBondContact OE1-NH1 3.24Å; E78-R81 VanDerWaalsContact OE1-NH1 3.1Å; E78-R81 IonicContact OE2-CZ 3.12Å; E78-R81 IonicContact OE2-NH1 3.73Å; E78-R81 PolarHBondContact OE2-NH1 2.68Å; E78-R81 IonicContact OE2-NH2 2.78Å; E78-R81 PolarHBondContact OE2-NH2 2.74Å; E78-H82 PolarHBondContact O-N 3.49Å |
| 79 | D | 84.4 | Confident | 77.2 | Confident | 14 Ų | 14 | 54 Ų | 54 | 8% | 0.075 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.8 | -37.4 | 175 | -74.8 | -10.7 | 0 | 0 | 0 | 112 | R63 I64 Q75 D77 H82 V83 | R63-D79 IonicContact CZ-OD1 2.65Å; R63-D79 IonicContact CZ-OD2 3.68Å; R63-D79 IonicContact NE-OD1 3.1Å; R63-D79 IonicContact NE-OD2 3.9Å; R63-D79 PolarHBondContact NE-OD2 3.38Å; R63-D79 VanDerWaalsContact NH2-CG 3.27Å; R63-D79 IonicContact NH2-OD1 2.89Å; R63-D79 PolarHBondContact NH2-OD1 3.41Å; R63-D79 IonicContact NH2-OD2 3.14Å; R63-D79 PolarHBondContact NH2-OD2 2.74Å; I64-D79 HydrophobicContact CD1-CB 4.03Å; I64-D79 HydrophobicContact CG1-CB 3.51Å; Q75-D79 WeakPolarHBondContact O-CB 3.36Å; Q75-D79 PolarHBondContact O-N 3.15Å; Q75-D79 VanDerWaalsContact O-N 3.09Å; D77-D79 VanDerWaalsContact C-N 3.28Å; D77-D79 PolarHBondContact O-N 2.82Å; D79-H82 PolarHBondContact O-N 2.98Å; D79-V83 VanDerWaalsContact O-CG2 3.3Å; D79-V83 WeakPolarHBondContact O-CG2 3.32Å; D79-V83 PolarHBondContact O-N 3.13Å |
| 80 | C | 84.3 | Confident | 75.7 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.5 | -43.9 | 176.7 | -170.1 | 0 | 0 | 0 | 0 | 111.8 | I64 A76 D77 E78 H82 V83 L84 D131 L132 | I64-C80 HydrophobicContact CD1-CB 4.19Å; A76-C80 VanDerWaalsContact O-CB 3.29Å; A76-C80 WeakPolarHBondContact O-CB 3.44Å; A76-C80 PolarHBondContact O-N 3.17Å; D77-C80 CarbonylContact O-C 3.6Å; D77-C80 WeakPolarHBondContact O-CA 3.27Å; D77-C80 WeakPolarHBondContact O-CB 3.44Å; D77-C80 PolarHBondContact O-N 2.79Å; E78-C80 VanDerWaalsContact C-N 3.31Å; E78-C80 PolarHBondContact O-N 3.04Å; C80-H82 VanDerWaalsContact C-N 3.3Å; C80-H82 PolarHBondContact O-N 2.86Å; C80-V83 PolarHBondContact O-N 3.33Å; C80-L84 WeakPolarHBondContact O-CB 3.48Å; C80-L84 WeakPolarHBondContact O-CG 3.36Å; C80-L84 PolarHBondContact O-N 3.3Å; C80-D131 PolarHBondContact SG-O 3.27Å; C80-D131 VanDerWaalsContact SG-O 3.35Å; C80-L132 HydrophobicContact CB-CD2 3.85Å; C80-L132 HydrophobicContact CB-CG 4.27Å |
| 81 | R | 82.4 | Confident | 74.1 | Confident | 97 Ų | 97 | 55.5 Ų | 55.5 | 37% | 0.366 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.7 | -38.6 | 173.6 | -81.5 | -172.7 | -78.2 | 113 | -3.5 | 112.1 | D77 E78 G85 D131 | D77-R81 PolarHBondContact O-N 2.72Å; D77-R81 IonicContact OD2-CZ 2.7Å; D77-R81 IonicContact OD2-NE 2.66Å; D77-R81 PolarHBondContact OD2-NE 3Å; D77-R81 IonicContact OD2-NH2 3.52Å; D77-R81 PolarHBondContact OD2-NH2 3.44Å; E78-R81 VanDerWaalsContact CD-NH1 3.27Å; E78-R81 PolarHBondContact O-N 2.93Å; E78-R81 IonicContact OE1-CZ 3.54Å; E78-R81 IonicContact OE1-NH1 3.59Å; E78-R81 PolarHBondContact OE1-NH1 3.24Å; E78-R81 VanDerWaalsContact OE1-NH1 3.1Å; E78-R81 IonicContact OE2-CZ 3.12Å; E78-R81 IonicContact OE2-NH1 3.73Å; E78-R81 PolarHBondContact OE2-NH1 2.68Å; E78-R81 IonicContact OE2-NH2 2.78Å; E78-R81 PolarHBondContact OE2-NH2 2.74Å; R81-G85 WeakPolarHBondContact O-CA 3.47Å; R81-G85 PolarHBondContact O-N 3.29Å; R81-D131 HydrophobicContact CG-CB 4.15Å; R81-D131 WeakPolarHBondContact CG-OD2 3.41Å |
| 82 | H | 81.1 | Confident | 72.9 | Confident | 71 Ų | 71 | 52.8 Ų | 52.8 | 33% | 0.329 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -66.6 | -43.9 | 176.7 | -171.3 | -77 | 0 | 0 | 0 | 112.2 | E78 D79 C80 E86 | E78-H82 PolarHBondContact O-N 3.49Å; D79-H82 PolarHBondContact O-N 2.98Å; C80-H82 VanDerWaalsContact C-N 3.3Å; C80-H82 PolarHBondContact O-N 2.86Å; H82-E86 IonicContact CE1-OE1 3.44Å; H82-E86 PolarHBondContact CE1-OE1 2.84Å; H82-E86 IonicContact CE1-OE2 2.94Å; H82-E86 PolarHBondContact CE1-OE2 2.95Å; H82-E86 IonicContact ND1-OE2 3.36Å; H82-E86 IonicContact NE2-OE1 3.35Å; H82-E86 PolarHBondContact NE2-OE1 2.83Å; H82-E86 IonicContact NE2-OE2 3.01Å; H82-E86 WeakPolarHBondContact O-CB 3.44Å; H82-E86 PolarHBondContact O-N 3.45Å |
| 83 | V | 82 | Confident | 71.8 | Confident | 4 Ų | 4 | 56.3 Ų | 56.3 | 2% | 0.024 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.1 | -47 | 176.7 | 171.6 | 0 | 0 | 0 | 0 | 111.6 | L60 L61 I64 D79 C80 G87 F95 | L60-V83 HydrophobicContact CB-CG2 3.33Å; L60-V83 HydrophobicContact CD1-CG2 3.64Å; L60-V83 HydrophobicContact CG-CG2 4.05Å; L61-V83 HydrophobicContact CD2-CG1 4.37Å; I64-V83 HydrophobicContact CD1-CG2 4.13Å; D79-V83 VanDerWaalsContact O-CG2 3.3Å; D79-V83 WeakPolarHBondContact O-CG2 3.32Å; D79-V83 PolarHBondContact O-N 3.13Å; C80-V83 PolarHBondContact O-N 3.33Å; V83-G87 WeakPolarHBondContact O-CA 3.1Å; V83-G87 PolarHBondContact O-N 3.07Å; V83-F95 HydrophobicContact CG1-CD2 4.26Å; V83-F95 HydrophobicContact CG1-CE2 3.29Å; V83-F95 HydrophobicContact CG1-CZ 3.6Å |
| 84 | L | 78.4 | Confident | 71.1 | Confident | 4 Ų | 4 | 55.4 Ų | 55.4 | 2% | 0.021 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -72.8 | -37.8 | -179.7 | -66.6 | 173.1 | 0 | 0 | 0 | 111.9 | C80 L88 F95 D131 R134 L135 L138 | C80-L84 WeakPolarHBondContact O-CB 3.48Å; C80-L84 WeakPolarHBondContact O-CG 3.36Å; C80-L84 PolarHBondContact O-N 3.3Å; L84-L88 WeakPolarHBondContact O-CB 3.33Å; L84-L88 WeakPolarHBondContact O-CD1 3.42Å; L84-L88 WeakPolarHBondContact O-CG 3.45Å; L84-L88 PolarHBondContact O-N 3.27Å; L84-F95 HydrophobicContact CD2-CE1 4.35Å; L84-D131 HydrophobicContact CD1-CB 3.87Å; L84-D131 WeakPolarHBondContact CD1-O 3.35Å; L84-R134 HydrophobicContact CD1-CB 4.32Å; L84-R134 HydrophobicContact CD1-CG 4.46Å; L84-L135 HydrophobicContact CD2-CD1 4.42Å; L84-L138 HydrophobicContact CD2-CD1 3.73Å |
| 85 | G | 69.6 | Low | 70.8 | Confident | 44 Ų | 44 | 51.6 Ų | 51.6 | 45% | 0.454 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -69.6 | -53 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | R81 A89 | R81-G85 WeakPolarHBondContact O-CA 3.47Å; R81-G85 PolarHBondContact O-N 3.29Å; G85-A89 WeakPolarHBondContact O-CB 3.37Å; G85-A89 PolarHBondContact O-N 2.81Å |
| 86 | E | 60.8 | Low | 70.5 | Confident | 73 Ų | 73 | 51.3 Ų | 51.3 | 34% | 0.341 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -71.6 | -36.6 | 178 | -71.7 | -166.9 | 157.1 | 0 | 0 | 112.4 | K56 H82 L88 A89 K90 | K56-E86 WeakPolarHBondContact CE-OE2 3.38Å; K56-E86 VanDerWaalsContact NZ-CD 3.28Å; K56-E86 IonicContact NZ-OE1 3.99Å; K56-E86 PolarHBondContact NZ-OE1 2.82Å; K56-E86 VanDerWaalsContact NZ-OE1 3.08Å; K56-E86 IonicContact NZ-OE2 3.27Å; K56-E86 PolarHBondContact NZ-OE2 3.42Å; H82-E86 IonicContact CE1-OE1 3.44Å; H82-E86 PolarHBondContact CE1-OE1 2.84Å; H82-E86 IonicContact CE1-OE2 2.94Å; H82-E86 PolarHBondContact CE1-OE2 2.95Å; H82-E86 IonicContact ND1-OE2 3.36Å; H82-E86 IonicContact NE2-OE1 3.35Å; H82-E86 PolarHBondContact NE2-OE1 2.83Å; H82-E86 IonicContact NE2-OE2 3.01Å; H82-E86 WeakPolarHBondContact O-CB 3.44Å; H82-E86 PolarHBondContact O-N 3.45Å; E86-L88 VanDerWaalsContact C-N 3.31Å; E86-L88 PolarHBondContact O-N 3.43Å; E86-A89 PolarHBondContact O-N 3.2Å; E86-K90 PolarHBondContact O-N 2.77Å |
| 87 | G | 56.9 | Low | 70.1 | Confident | 9 Ų | 9 | 54.1 Ų | 54.1 | 9% | 0.093 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67 | -28.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | V83 | V83-G87 WeakPolarHBondContact O-CA 3.1Å; V83-G87 PolarHBondContact O-N 3.07Å |
| 88 | L | 53 | Low | 70 | Confident | 54 Ų | 54 | 54.1 Ų | 54.1 | 28% | 0.283 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -88.3 | -28.5 | 175.7 | -69.2 | 167.7 | 0 | 0 | 0 | 113.1 | L84 E86 E92 | L84-L88 WeakPolarHBondContact O-CB 3.33Å; L84-L88 WeakPolarHBondContact O-CD1 3.42Å; L84-L88 WeakPolarHBondContact O-CG 3.45Å; L84-L88 PolarHBondContact O-N 3.27Å; E86-L88 VanDerWaalsContact C-N 3.31Å; E86-L88 PolarHBondContact O-N 3.43Å; L88-E92 HydrophobicContact CD2-CB 4.1Å; L88-E92 HydrophobicContact CD2-CG 3.75Å |
| 89 | A | 51.5 | Low | 70 | Confident | 87 Ų | 87 | 49.4 Ų | 49.4 | 72% | 0.719 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -74.2 | -27.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | G85 E86 | G85-A89 WeakPolarHBondContact O-CB 3.37Å; G85-A89 PolarHBondContact O-N 2.81Å; E86-A89 PolarHBondContact O-N 3.2Å |
| 90 | K | 54.7 | Low | 69.8 | Low | 132 Ų | 132 | 51 Ų | 51 | 57% | 0.574 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | 6.1 | 179 | -67.7 | -173.7 | 173.5 | -177.3 | 0 | 114.4 | E53 E86 | E53-K90 WeakPolarHBondContact OE1-CD 3.44Å; E53-K90 WeakPolarHBondContact OE1-CE 3.25Å; E53-K90 IonicContact OE1-NZ 3.44Å; E53-K90 PolarHBondContact OE1-NZ 3.08Å; E86-K90 PolarHBondContact O-N 2.77Å |
| 91 | G | 54.8 | Low | 69.5 | Low | 31 Ų | 31 | 52.9 Ų | 52.9 | 32% | 0.32 | 31% | 0.306 | S | S | . | . | trans | 110.6 | 118 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111 | D93 A94 | G91-D93 PolarHBondContact O-N 3Å; G91-A94 PolarHBondContact O-N 2.83Å; G91-A94 VanDerWaalsContact O-N 3.07Å | ||
| 92 | E | 58.4 | Low | 69.5 | Low | 94 Ų | 94 | 48.2 Ų | 48.2 | 44% | 0.439 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -53 | -24.9 | 179.5 | -169.6 | 170.6 | 179.6 | 0 | 0 | 112.7 | L88 R96 | L88-E92 HydrophobicContact CD2-CB 4.1Å; L88-E92 HydrophobicContact CD2-CG 3.75Å; E92-R96 WeakPolarHBondContact O-CG 3.42Å; E92-R96 PolarHBondContact O-N 2.83Å; E92-R96 IonicContact OE1-NE 3.93Å; E92-R96 IonicContact OE1-NH2 3.08Å |
| 93 | D | 59.9 | Low | 69.6 | Low | 132 Ų | 132 | 46.1 Ų | 46.1 | 71% | 0.706 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -71.3 | -34.7 | -179.8 | -57.1 | -36.1 | 0 | 0 | 0 | 113.8 | G91 A97 | G91-D93 PolarHBondContact O-N 3Å; D93-A97 VanDerWaalsContact O-CB 3.29Å; D93-A97 WeakPolarHBondContact O-CB 3.49Å; D93-A97 PolarHBondContact O-N 3.39Å |
| 94 | A | 67.1 | Low | 69.3 | Low | 32 Ų | 32 | 52.3 Ų | 52.3 | 26% | 0.264 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -71.8 | -41.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | G91 A97 V98 | G91-A94 PolarHBondContact O-N 2.83Å; G91-A94 VanDerWaalsContact O-N 3.07Å; A94-A97 PolarHBondContact O-N 3.01Å; A94-V98 WeakPolarHBondContact O-CG2 3.33Å; A94-V98 PolarHBondContact O-N 3.11Å; A94-V98 VanDerWaalsContact O-N 3.12Å |
| 95 | F | 75.4 | Confident | 69.3 | Low | 4 Ų | 4 | 57 Ų | 57 | 2% | 0.018 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.8 | -45.3 | 175.3 | -179.6 | -115.7 | 0 | 0 | 0 | 111.4 | I57 V83 L84 A97 V98 L99 L135 L138 | I57-F95 HydrophobicContact CD1-CD2 4.05Å; I57-F95 HydrophobicContact CG1-CD2 4.37Å; I57-F95 HydrophobicContact CG2-CD2 3.95Å; I57-F95 HydrophobicContact CG2-CE2 3.76Å; V83-F95 HydrophobicContact CG1-CD2 4.26Å; V83-F95 HydrophobicContact CG1-CE2 3.29Å; V83-F95 HydrophobicContact CG1-CZ 3.6Å; L84-F95 HydrophobicContact CD2-CE1 4.35Å; F95-A97 PolarHBondContact O-N 3.36Å; F95-V98 PolarHBondContact O-N 3.47Å; F95-L99 HydrophobicContact CD1-CD1 4.15Å; F95-L99 HydrophobicContact CE1-CD1 3.66Å; F95-L99 HydrophobicContact CE1-CG 4.42Å; F95-L99 HydrophobicContact CE2-CD1 4.45Å; F95-L99 HydrophobicContact CE2-CD2 4.44Å; F95-L99 HydrophobicContact CE2-CG 4.4Å; F95-L99 HydrophobicContact CZ-CD1 3.83Å; F95-L99 HydrophobicContact CZ-CD2 4.32Å; F95-L99 HydrophobicContact CZ-CG 4.24Å; F95-L99 WeakPolarHBondContact O-CG 3.3Å; F95-L99 PolarHBondContact O-N 2.89Å; F95-L99 VanDerWaalsContact O-N 3.13Å; F95-L135 HydrophobicContact CZ-CD1 4.11Å; F95-L138 HydrophobicContact CE1-CD1 4.06Å |
| 96 | R | 77.4 | Confident | 69.7 | Low | 79 Ų | 79 | 56.6 Ų | 56.6 | 30% | 0.298 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.7 | -40.5 | 175.6 | -74.2 | -176 | 179.3 | -88.2 | 3.8 | 112.3 | E92 V98 L99 C100 E141 | E92-R96 WeakPolarHBondContact O-CG 3.42Å; E92-R96 PolarHBondContact O-N 2.83Å; E92-R96 IonicContact OE1-NE 3.93Å; E92-R96 IonicContact OE1-NH2 3.08Å; R96-V98 VanDerWaalsContact C-N 3.34Å; R96-V98 PolarHBondContact O-N 2.89Å; R96-L99 PolarHBondContact O-N 3.38Å; R96-C100 PolarHBondContact O-N 3.15Å; R96-C100 PolarHBondContact O-SG 3.17Å; R96-C100 VanDerWaalsContact O-SG 3.34Å; R96-E141 IonicContact CZ-OE2 3.08Å; R96-E141 IonicContact NH1-OE2 2.69Å; R96-E141 PolarHBondContact NH1-OE2 2.86Å; R96-E141 IonicContact NH2-OE2 2.77Å; R96-E141 PolarHBondContact NH2-OE2 3.32Å |
| 97 | A | 75.6 | Confident | 70.8 | Confident | 59 Ų | 59 | 54.4 Ų | 54.4 | 49% | 0.488 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.3 | -39.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | D93 A94 F95 C100 C101 | D93-A97 VanDerWaalsContact O-CB 3.29Å; D93-A97 WeakPolarHBondContact O-CB 3.49Å; D93-A97 PolarHBondContact O-N 3.39Å; A94-A97 PolarHBondContact O-N 3.01Å; F95-A97 PolarHBondContact O-N 3.36Å; A97-C100 PolarHBondContact O-N 3.1Å; A97-C101 WeakPolarHBondContact O-CB 3.19Å; A97-C101 PolarHBondContact O-N 2.85Å |
| 98 | V | 79.1 | Confident | 72.1 | Confident | 16 Ų | 16 | 54 Ų | 54 | 10% | 0.097 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.4 | -43.9 | 175.6 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | R54 I57 E58 A94 F95 R96 C100 C101 M102 | R54-V98 HydrophobicContact CB-CG2 4.09Å; R54-V98 HydrophobicContact CG-CG1 4.19Å; R54-V98 HydrophobicContact CG-CG2 4.37Å; I57-V98 HydrophobicContact CB-CG1 4.05Å; I57-V98 HydrophobicContact CD1-CB 4.38Å; I57-V98 HydrophobicContact CD1-CG2 4.11Å; I57-V98 HydrophobicContact CG2-CB 4.45Å; I57-V98 HydrophobicContact CG2-CG1 3.76Å; E58-V98 HydrophobicContact CG-CG1 4.5Å; A94-V98 WeakPolarHBondContact O-CG2 3.33Å; A94-V98 PolarHBondContact O-N 3.11Å; A94-V98 VanDerWaalsContact O-N 3.12Å; F95-V98 PolarHBondContact O-N 3.47Å; R96-V98 VanDerWaalsContact C-N 3.34Å; R96-V98 PolarHBondContact O-N 2.89Å; V98-C100 PolarHBondContact O-N 3.21Å; V98-C101 WeakPolarHBondContact O-CB 3.43Å; V98-C101 PolarHBondContact O-N 2.78Å; V98-M102 HydrophobicContact CG1-CG 4.43Å; V98-M102 HydrophobicContact CG1-SD 4.3Å; V98-M102 WeakPolarHBondContact O-CG 3.3Å; V98-M102 PolarHBondContact O-N 2.86Å |
| 99 | L | 83 | Confident | 73.7 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.3 | -42.7 | 176.8 | -66.1 | 179.1 | 0 | 0 | 0 | 112.1 | L61 F95 R96 C101 M102 Q103 L108 L139 T142 | L61-L99 HydrophobicContact CD1-CD2 3.62Å; F95-L99 HydrophobicContact CD1-CD1 4.15Å; F95-L99 HydrophobicContact CE1-CD1 3.66Å; F95-L99 HydrophobicContact CE1-CG 4.42Å; F95-L99 HydrophobicContact CE2-CD1 4.45Å; F95-L99 HydrophobicContact CE2-CD2 4.44Å; F95-L99 HydrophobicContact CE2-CG 4.4Å; F95-L99 HydrophobicContact CZ-CD1 3.83Å; F95-L99 HydrophobicContact CZ-CD2 4.32Å; F95-L99 HydrophobicContact CZ-CG 4.24Å; F95-L99 WeakPolarHBondContact O-CG 3.3Å; F95-L99 PolarHBondContact O-N 2.89Å; F95-L99 VanDerWaalsContact O-N 3.13Å; R96-L99 PolarHBondContact O-N 3.38Å; L99-C101 PolarHBondContact O-N 3.24Å; L99-M102 HydrophobicContact CD2-SD 4.5Å; L99-M102 PolarHBondContact O-N 3.4Å; L99-Q103 PolarHBondContact O-N 2.91Å; L99-L108 HydrophobicContact CD2-CD1 3.9Å; L99-L139 HydrophobicContact CD1-CD2 4.06Å; L99-L139 HydrophobicContact CD2-CD2 3.56Å; L99-L139 HydrophobicContact CG-CD2 4.41Å; L99-T142 HydrophobicContact CB-CG2 3.89Å |
| 100 | C | 79.7 | Confident | 75.2 | Confident | 49 Ų | 49 | 52.6 Ų | 52.6 | 33% | 0.331 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.9 | -43.7 | 174.4 | -69.6 | 0 | 0 | 0 | 0 | 111.8 | R96 A97 V98 M102 Q103 L104 | R96-C100 PolarHBondContact O-N 3.15Å; R96-C100 PolarHBondContact O-SG 3.17Å; R96-C100 VanDerWaalsContact O-SG 3.34Å; A97-C100 PolarHBondContact O-N 3.1Å; V98-C100 PolarHBondContact O-N 3.21Å; C100-M102 PolarHBondContact O-N 2.74Å; C100-Q103 PolarHBondContact O-N 2.77Å; C100-L104 WeakPolarHBondContact O-CG 3.39Å; C100-L104 PolarHBondContact O-N 2.66Å |
| 101 | C | 79.7 | Confident | 76.7 | Confident | 38 Ų | 38 | 46.4 Ų | 46.4 | 26% | 0.257 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.4 | -41.1 | 176.5 | -175.5 | 0 | 0 | 0 | 0 | 112.1 | A97 V98 L99 K105 | A97-C101 WeakPolarHBondContact O-CB 3.19Å; A97-C101 PolarHBondContact O-N 2.85Å; V98-C101 WeakPolarHBondContact O-CB 3.43Å; V98-C101 PolarHBondContact O-N 2.78Å; L99-C101 PolarHBondContact O-N 3.24Å; C101-K105 WeakPolarHBondContact O-CB 3.48Å; C101-K105 WeakPolarHBondContact O-CG 3.21Å; C101-K105 PolarHBondContact O-N 3.22Å; C101-K105 VanDerWaalsContact O-N 3.11Å |
| 102 | M | 81.9 | Confident | 78.2 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.6 | -38.7 | 174.8 | -69.6 | 178.6 | 77.9 | 0 | 0 | 112.3 | E58 L61 Y62 V98 L99 C100 K105 G106 K107 L108 | E58-M102 HydrophobicContact CB-CE 4.35Å; E58-M102 HydrophobicContact CB-SD 4.47Å; E58-M102 HydrophobicContact CG-CE 3.97Å; E58-M102 HydrophobicContact CG-CG 3.78Å; E58-M102 HydrophobicContact CG-SD 3.67Å; L61-M102 HydrophobicContact CD1-CE 4.04Å; L61-M102 HydrophobicContact CD1-SD 3.68Å; Y62-M102 HydrophobicContact CE1-CE 3.81Å; V98-M102 HydrophobicContact CG1-CG 4.43Å; V98-M102 HydrophobicContact CG1-SD 4.3Å; V98-M102 WeakPolarHBondContact O-CG 3.3Å; V98-M102 PolarHBondContact O-N 2.86Å; L99-M102 HydrophobicContact CD2-SD 4.5Å; L99-M102 PolarHBondContact O-N 3.4Å; C100-M102 PolarHBondContact O-N 2.74Å; M102-K105 PolarHBondContact O-N 3.3Å; M102-G106 PolarHBondContact O-N 3.15Å; M102-K107 HydrophobicContact CB-CB 4.47Å; M102-K107 PolarHBondContact O-N 2.95Å; M102-L108 HydrophobicContact CB-CB 4.05Å; M102-L108 HydrophobicContact CB-CD1 4.07Å; M102-L108 HydrophobicContact CE-CD1 4.07Å; M102-L108 PolarHBondContact O-N 2.88Å; M102-L108 HydrophobicContact SD-CD1 4.06Å |
| 103 | Q | 81.7 | Confident | 79.6 | Confident | 26 Ų | 26 | 43.9 Ų | 43.9 | 12% | 0.121 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -67.4 | -45.9 | 178.3 | -179 | 62.4 | 0.2 | 0 | 0 | 111.4 | L99 C100 K105 G106 L108 Q109 T146 | L99-Q103 PolarHBondContact O-N 2.91Å; C100-Q103 PolarHBondContact O-N 2.77Å; Q103-K105 VanDerWaalsContact C-N 3.25Å; Q103-K105 PolarHBondContact O-N 3.49Å; Q103-G106 PolarHBondContact O-N 3.07Å; Q103-L108 HydrophobicContact CB-CB 4.33Å; Q103-L108 HydrophobicContact CB-CD2 4Å; Q103-Q109 VanDerWaalsContact NE2-NE2 3.15Å; Q103-T146 HydrophobicContact CG-CG2 3.86Å |
| 104 | L | 76.4 | Confident | 80.8 | Confident | 134 Ų | 134 | 38.2 Ų | 38.2 | 70% | 0.702 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -60.5 | -34.4 | 175.7 | -71.4 | 172.4 | 0 | 0 | 0 | 112.6 | C100 G106 T146 | C100-L104 WeakPolarHBondContact O-CG 3.39Å; C100-L104 PolarHBondContact O-N 2.66Å; L104-G106 VanDerWaalsContact C-N 3.27Å; L104-G106 PolarHBondContact O-N 2.98Å; L104-T146 HydrophobicContact CD2-CG2 3.87Å; L104-T146 HydrophobicContact CG-CG2 4.31Å |
| 105 | K | 77.9 | Confident | 81.6 | Confident | 104 Ų | 104 | 36.8 Ų | 36.8 | 45% | 0.452 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | 2.6 | 175.7 | -67 | 179.1 | -179.5 | -179.8 | 0 | 113.7 | C101 M102 Q103 K107 | C101-K105 WeakPolarHBondContact O-CB 3.48Å; C101-K105 WeakPolarHBondContact O-CG 3.21Å; C101-K105 PolarHBondContact O-N 3.22Å; C101-K105 VanDerWaalsContact O-N 3.11Å; M102-K105 PolarHBondContact O-N 3.3Å; Q103-K105 VanDerWaalsContact C-N 3.25Å; Q103-K105 PolarHBondContact O-N 3.49Å; K105-K107 HydrophobicContact CB-CD 4.31Å; K105-K107 HydrophobicContact CB-CG 4.03Å; K105-K107 PolarHBondContact O-N 3.44Å |
| 106 | G | 79.4 | Confident | 82 | Confident | 35 Ų | 35 | 38.1 Ų | 38.1 | 36% | 0.361 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | 21.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114 | M102 Q103 L104 | M102-G106 PolarHBondContact O-N 3.15Å; Q103-G106 PolarHBondContact O-N 3.07Å; L104-G106 VanDerWaalsContact C-N 3.27Å; L104-G106 PolarHBondContact O-N 2.98Å |
| 107 | K | 82.3 | Confident | 82.2 | Confident | 27 Ų | 27 | 41 Ų | 41 | 12% | 0.117 | 23% | 0.234 | C | C | . | . | trans | -91.3 | -17.2 | -178.3 | -66 | -171.3 | 178.6 | -172 | 0 | 112.8 | E11 Y62 M102 K105 P110 | E11-K107 IonicContact OE1-NZ 3.51Å; E11-K107 PolarHBondContact OE1-NZ 3.23Å; Y62-K107 WeakPolarHBondContact OH-CB 3.42Å; M102-K107 HydrophobicContact CB-CB 4.47Å; M102-K107 PolarHBondContact O-N 2.95Å; K105-K107 HydrophobicContact CB-CD 4.31Å; K105-K107 HydrophobicContact CB-CG 4.03Å; K105-K107 PolarHBondContact O-N 3.44Å; K107-P110 WeakPolarHBondContact O-CD 3.27Å | ||
| 108 | L | 85.5 | Confident | 82.3 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -83 | -30.3 | -177.7 | -161.6 | 69.9 | 0 | 0 | 0 | 114 | L99 M102 Q103 V111 S112 L139 T142 E143 | L99-L108 HydrophobicContact CD2-CD1 3.9Å; M102-L108 HydrophobicContact CB-CB 4.05Å; M102-L108 HydrophobicContact CB-CD1 4.07Å; M102-L108 HydrophobicContact CE-CD1 4.07Å; M102-L108 PolarHBondContact O-N 2.88Å; M102-L108 HydrophobicContact SD-CD1 4.06Å; Q103-L108 HydrophobicContact CB-CB 4.33Å; Q103-L108 HydrophobicContact CB-CD2 4Å; L108-V111 WeakPolarHBondContact O-CB 3.5Å; L108-V111 PolarHBondContact O-N 3Å; L108-V111 VanDerWaalsContact O-N 3.1Å; L108-S112 PolarHBondContact O-N 3.02Å; L108-L139 HydrophobicContact CD1-CD2 3.8Å; L108-L139 HydrophobicContact CD2-CD2 4.21Å; L108-L139 HydrophobicContact CG-CD2 4.29Å; L108-T142 HydrophobicContact CD2-CG2 4.43Å; L108-E143 HydrophobicContact CD2-CG 4.32Å |
| 109 | Q | 85.3 | Confident | 82 | Confident | 82 Ų | 82 | 40 Ų | 40 | 38% | 0.383 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -54.3 | -44.2 | -176.6 | -69.8 | -61.1 | -55.6 | 0 | 0 | 114.9 | Q103 V111 S112 T113 E143 | Q103-Q109 VanDerWaalsContact NE2-NE2 3.15Å; Q109-V111 VanDerWaalsContact C-N 3.31Å; Q109-V111 PolarHBondContact O-N 2.91Å; Q109-S112 PolarHBondContact O-N 2.87Å; Q109-T113 WeakPolarHBondContact O-CB 3.45Å; Q109-T113 PolarHBondContact O-N 2.88Å; Q109-T113 PolarHBondContact O-OG1 2.98Å; Q109-E143 PolarHBondContact NE2-OE1 2.67Å |
| 110 | P | 84.3 | Confident | 81.3 | Confident | 29 Ų | 29 | 44.9 Ų | 44.9 | 19% | 0.188 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.2 | -38.8 | 177.5 | -22.4 | 34.5 | 0 | 0 | 0 | 112.6 | L17 K18 K107 I114 | L17-P110 HydrophobicContact CD2-CB 4.23Å; L17-P110 HydrophobicContact CG-CB 4.44Å; K18-P110 HydrophobicContact CG-CG 4.02Å; K107-P110 WeakPolarHBondContact O-CD 3.27Å; P110-I114 WeakPolarHBondContact O-CB 3.41Å; P110-I114 WeakPolarHBondContact O-CD1 3.4Å; P110-I114 VanDerWaalsContact O-CG1 3.25Å; P110-I114 WeakPolarHBondContact O-CG1 3.25Å; P110-I114 PolarHBondContact O-N 3.38Å; P110-I114 VanDerWaalsContact O-N 3.08Å |
| 111 | V | 86.7 | Confident | 80.3 | Confident | 3 Ų | 3 | 44.5 Ų | 44.5 | 2% | 0.018 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.9 | -48.3 | 179.7 | 179.2 | 0 | 0 | 0 | 0 | 110.4 | L17 L61 Y62 A65 L108 Q109 T113 I114 L115 L139 | L17-V111 HydrophobicContact CD2-CG2 3.94Å; L61-V111 HydrophobicContact CB-CG1 4.33Å; Y62-V111 HydrophobicContact CD1-CG2 3.63Å; Y62-V111 HydrophobicContact CE1-CG2 3.96Å; A65-V111 HydrophobicContact CB-CG1 4.29Å; A65-V111 HydrophobicContact CB-CG2 4.29Å; L108-V111 WeakPolarHBondContact O-CB 3.5Å; L108-V111 PolarHBondContact O-N 3Å; L108-V111 VanDerWaalsContact O-N 3.1Å; Q109-V111 VanDerWaalsContact C-N 3.31Å; Q109-V111 PolarHBondContact O-N 2.91Å; V111-T113 PolarHBondContact O-N 3.05Å; V111-I114 PolarHBondContact O-N 3.19Å; V111-L115 VanDerWaalsContact O-CB 3.25Å; V111-L115 WeakPolarHBondContact O-CB 3.27Å; V111-L115 PolarHBondContact O-N 2.93Å; V111-L139 HydrophobicContact CG1-CD1 4Å |
| 112 | S | 86.6 | Confident | 78.9 | Confident | 11 Ų | 11 | 52.6 Ų | 52.6 | 8% | 0.077 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.7 | -43.7 | 178.4 | -173.6 | 0 | 0 | 0 | 0 | 111.7 | L108 Q109 I114 L115 A116 E143 | L108-S112 PolarHBondContact O-N 3.02Å; Q109-S112 PolarHBondContact O-N 2.87Å; S112-I114 PolarHBondContact O-N 3.3Å; S112-L115 PolarHBondContact O-N 2.84Å; S112-A116 VanDerWaalsContact O-CB 3.26Å; S112-A116 WeakPolarHBondContact O-CB 3.47Å; S112-A116 PolarHBondContact O-N 2.93Å; S112-E143 WeakPolarHBondContact CB-OE1 3.35Å; S112-E143 VanDerWaalsContact OG-CD 3.25Å; S112-E143 PolarHBondContact OG-OE1 2.75Å; S112-E143 VanDerWaalsContact OG-OE1 3.11Å; S112-E143 PolarHBondContact OG-OE2 3.19Å |
| 113 | T | 85.9 | Confident | 77.4 | Confident | 60 Ų | 60 | 56.1 Ų | 56.1 | 37% | 0.368 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63 | -45.1 | 178.5 | -58.4 | 0 | 0 | 0 | 0 | 112.1 | Q109 V111 K117 | Q109-T113 WeakPolarHBondContact O-CB 3.45Å; Q109-T113 PolarHBondContact O-N 2.88Å; Q109-T113 PolarHBondContact O-OG1 2.98Å; V111-T113 PolarHBondContact O-N 3.05Å; T113-K117 HydrophobicContact CG2-CD 4.12Å; T113-K117 WeakPolarHBondContact O-CB 3.43Å; T113-K117 VanDerWaalsContact O-CG 3.29Å; T113-K117 WeakPolarHBondContact O-CG 3.28Å; T113-K117 PolarHBondContact O-N 3.33Å |
| 114 | I | 85.1 | Confident | 76.1 | Confident | 13 Ų | 13 | 57.1 Ų | 57.1 | 7% | 0.067 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64 | -47.3 | 177.9 | -77.4 | 167.8 | 0 | 0 | 0 | 110.6 | L17 Y22 A65 L68 Q69 P110 V111 S112 A116 K117 S118 | L17-I114 HydrophobicContact CD1-CD1 3.78Å; L17-I114 HydrophobicContact CG-CD1 4.26Å; Y22-I114 HydrophobicContact CE1-CD1 3.99Å; A65-I114 HydrophobicContact CB-CB 4.31Å; A65-I114 HydrophobicContact CB-CD1 4.13Å; A65-I114 HydrophobicContact CB-CG2 3.88Å; A65-I114 WeakPolarHBondContact O-CG2 3.3Å; L68-I114 HydrophobicContact CB-CG2 4.3Å; Q69-I114 HydrophobicContact CG-CD1 4.1Å; Q69-I114 HydrophobicContact CG-CG1 4.08Å; Q69-I114 HydrophobicContact CG-CG2 3.71Å; P110-I114 WeakPolarHBondContact O-CB 3.41Å; P110-I114 WeakPolarHBondContact O-CD1 3.4Å; P110-I114 VanDerWaalsContact O-CG1 3.25Å; P110-I114 WeakPolarHBondContact O-CG1 3.25Å; P110-I114 PolarHBondContact O-N 3.38Å; P110-I114 VanDerWaalsContact O-N 3.08Å; V111-I114 PolarHBondContact O-N 3.19Å; S112-I114 PolarHBondContact O-N 3.3Å; I114-A116 PolarHBondContact O-N 3.15Å; I114-K117 PolarHBondContact O-N 3.12Å; I114-S118 WeakPolarHBondContact O-CB 3.41Å; I114-S118 PolarHBondContact O-N 2.87Å; I114-S118 PolarHBondContact O-OG 2.85Å; I114-S118 VanDerWaalsContact O-OG 3.11Å |
| 115 | L | 84.4 | Confident | 74.9 | Confident | 3 Ų | 3 | 58 Ų | 58 | 2% | 0.016 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.1 | -43.3 | 179.4 | -168.3 | 72.1 | 0 | 0 | 0 | 111.4 | L68 V111 S112 L119 L132 L135 K136 L139 | L68-L115 HydrophobicContact CD1-CD1 3.39Å; V111-L115 VanDerWaalsContact O-CB 3.25Å; V111-L115 WeakPolarHBondContact O-CB 3.27Å; V111-L115 PolarHBondContact O-N 2.93Å; S112-L115 PolarHBondContact O-N 2.84Å; L115-L119 HydrophobicContact CD1-CD1 4.25Å; L115-L119 HydrophobicContact CG-CD1 3.97Å; L115-L119 WeakPolarHBondContact O-CB 3.46Å; L115-L119 WeakPolarHBondContact O-CD1 3.38Å; L115-L119 WeakPolarHBondContact O-CG 3.41Å; L115-L119 PolarHBondContact O-N 2.84Å; L115-L119 VanDerWaalsContact O-N 3.12Å; L115-L132 HydrophobicContact CD1-CD2 4.14Å; L115-L135 HydrophobicContact CD2-CD2 4.49Å; L115-L135 HydrophobicContact CD2-CG 4.22Å; L115-K136 VanDerWaalsContact CD2-CA 3.49Å; L115-K136 HydrophobicContact CD2-CB 3.74Å; L115-K136 HydrophobicContact CD2-CG 4.39Å; L115-K136 HydrophobicContact CG-CB 4.25Å; L115-L139 HydrophobicContact CD2-CD1 3.82Å |
| 116 | A | 83.8 | Confident | 73.7 | Confident | 32 Ų | 32 | 57 Ų | 57 | 26% | 0.264 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.8 | -47.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | S112 I114 L119 T120 | S112-A116 VanDerWaalsContact O-CB 3.26Å; S112-A116 WeakPolarHBondContact O-CB 3.47Å; S112-A116 PolarHBondContact O-N 2.93Å; I114-A116 PolarHBondContact O-N 3.15Å; A116-L119 PolarHBondContact O-N 2.93Å; A116-T120 WeakPolarHBondContact O-CG2 3.44Å; A116-T120 PolarHBondContact O-N 3.5Å; A116-T120 PolarHBondContact O-OG1 2.91Å; A116-T120 VanDerWaalsContact O-OG1 3.11Å |
| 117 | K | 82.4 | Confident | 72.5 | Confident | 139 Ų | 139 | 61.2 Ų | 61.2 | 60% | 0.604 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -63.1 | -44.6 | 178.9 | -75.6 | 177 | 179.7 | -179.7 | 0 | 112.5 | T113 I114 L119 T120 G121 | T113-K117 HydrophobicContact CG2-CD 4.12Å; T113-K117 WeakPolarHBondContact O-CB 3.43Å; T113-K117 VanDerWaalsContact O-CG 3.29Å; T113-K117 WeakPolarHBondContact O-CG 3.28Å; T113-K117 PolarHBondContact O-N 3.33Å; I114-K117 PolarHBondContact O-N 3.12Å; K117-L119 PolarHBondContact O-N 3.43Å; K117-T120 PolarHBondContact O-N 2.76Å; K117-T120 PolarHBondContact O-OG1 3.16Å; K117-T120 VanDerWaalsContact O-OG1 3.07Å; K117-G121 PolarHBondContact O-N 2.74Å |
| 118 | S | 76.9 | Confident | 71.1 | Confident | 17 Ų | 17 | 61.9 Ų | 61.9 | 12% | 0.119 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.1 | -28.2 | 178.8 | -66.8 | 0 | 0 | 0 | 0 | 112.4 | I114 L124 | I114-S118 WeakPolarHBondContact O-CB 3.41Å; I114-S118 PolarHBondContact O-N 2.87Å; I114-S118 PolarHBondContact O-OG 2.85Å; I114-S118 VanDerWaalsContact O-OG 3.11Å; S118-L124 VanDerWaalsContact O-CD1 3.3Å; S118-L124 WeakPolarHBondContact O-CD1 3.39Å |
| 119 | L | 73.9 | Confident | 70.2 | Confident | 36 Ų | 36 | 63.5 Ų | 63.5 | 19% | 0.188 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -88.6 | -9.7 | 178.7 | -69.7 | 169.4 | 0 | 0 | 0 | 114.7 | L115 A116 K117 L124 V128 K136 | L115-L119 HydrophobicContact CD1-CD1 4.25Å; L115-L119 HydrophobicContact CG-CD1 3.97Å; L115-L119 WeakPolarHBondContact O-CB 3.46Å; L115-L119 WeakPolarHBondContact O-CD1 3.38Å; L115-L119 WeakPolarHBondContact O-CG 3.41Å; L115-L119 PolarHBondContact O-N 2.84Å; L115-L119 VanDerWaalsContact O-N 3.12Å; A116-L119 PolarHBondContact O-N 2.93Å; K117-L119 PolarHBondContact O-N 3.43Å; L119-L124 HydrophobicContact CD2-CD1 3.92Å; L119-V128 HydrophobicContact CD2-CG1 3.43Å; L119-V128 VanDerWaalsContact CD2-CG1 3.43Å; L119-K136 HydrophobicContact CB-CD 4.46Å; L119-K136 HydrophobicContact CD1-CB 3.86Å; L119-K136 HydrophobicContact CD1-CD 3.6Å; L119-K136 HydrophobicContact CD1-CG 4.21Å |
| 120 | T | 68.2 | Low | 69.4 | Low | 105 Ų | 105 | 68 Ų | 68 | 64% | 0.644 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -102.7 | -8.7 | 178.8 | 50.8 | 0 | 0 | 0 | 0 | 114.3 | A116 K117 | A116-T120 WeakPolarHBondContact O-CG2 3.44Å; A116-T120 PolarHBondContact O-N 3.5Å; A116-T120 PolarHBondContact O-OG1 2.91Å; A116-T120 VanDerWaalsContact O-OG1 3.11Å; K117-T120 PolarHBondContact O-N 2.76Å; K117-T120 PolarHBondContact O-OG1 3.16Å; K117-T120 VanDerWaalsContact O-OG1 3.07Å |
| 121 | G | 58.1 | Low | 69.1 | Low | 40 Ų | 40 | 68.4 Ų | 68.4 | 41% | 0.412 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -85.5 | 145.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | K117 S123 | K117-G121 PolarHBondContact O-N 2.74Å; G121-S123 PolarHBondContact O-N 3.32Å |
| 122 | E | 49.5 | Very low | 68.8 | Low | 209 Ų | 209 | 68.4 Ų | 68.4 | 98% | 0.977 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -64.5 | 10.1 | -175.8 | -68.4 | -175.6 | 147.8 | 0 | 0 | 116.4 | ||
| 123 | S | 51.7 | Low | 68.5 | Low | 73 Ų | 73 | 71.3 Ų | 71.3 | 51% | 0.51 | 41% | 0.408 | S | S | . | . | trans | -118.7 | 37.4 | -175.2 | 83.1 | 0 | 0 | 0 | 0 | 114.7 | G121 | G121-S123 PolarHBondContact O-N 3.32Š| ||
| 124 | L | 54.7 | Low | 68.4 | Low | 47 Ų | 47 | 73.6 Ų | 73.6 | 25% | 0.246 | 41% | 0.41 | C | S | . | . | trans | -101.2 | 79.3 | 168.8 | -62.1 | 177.7 | 0 | 0 | 0 | 108.6 | Y73 S118 L119 G126 V128 | Y73-L124 HydrophobicContact CD1-CD2 4.24Å; Y73-L124 HydrophobicContact CE1-CD2 3.83Å; S118-L124 VanDerWaalsContact O-CD1 3.3Å; S118-L124 WeakPolarHBondContact O-CD1 3.39Å; L119-L124 HydrophobicContact CD2-CD1 3.92Å; L124-G126 PolarHBondContact O-N 3.26Å; L124-V128 HydrophobicContact CB-CB 4.45Å; L124-V128 HydrophobicContact CB-CG2 3.81Å; L124-V128 HydrophobicContact CD1-CB 4.18Å; L124-V128 HydrophobicContact CD1-CG1 4.43Å; L124-V128 HydrophobicContact CD1-CG2 3.56Å; L124-V128 HydrophobicContact CD2-CG2 3.4Å; L124-V128 VanDerWaalsContact CD2-CG2 3.4Å; L124-V128 HydrophobicContact CG-CG2 3.73Å | ||
| 125 | N | 49.9 | Very low | 68.4 | Low | 152 Ų | 152 | 73 Ų | 73 | 81% | 0.813 | 41% | 0.407 | S | S | * | . | trans | -62.4 | 73.9 | 177 | -85.9 | -15.1 | 0 | 0 | 0 | 111.5 | M127 | N125-M127 PolarHBondContact O-N 2.83Š| ||
| 126 | G | 52.7 | Low | 68.4 | Low | 83 Ų | 83 | 75.8 Ų | 75.8 | 86% | 0.856 | 42% | 0.419 | S | S | * | . | S | Bend | trans | 61.6 | 2.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 117 | L124 | L124-G126 PolarHBondContact O-N 3.26Š|
| 127 | M | 53.8 | Low | 68.3 | Low | 125 Ų | 125 | 77.5 Ų | 77.5 | 62% | 0.616 | 43% | 0.427 | S | S | * | . | trans | -108.5 | 8.3 | -173.3 | -105 | 174.6 | 67.5 | 0 | 0 | 114 | V74 N125 T129 | V74-M127 HydrophobicContact CG2-CE 3.5Å; V74-M127 VanDerWaalsContact CG2-CE 3.5Å; N125-M127 PolarHBondContact O-N 2.83Å; M127-T129 PolarHBondContact O-N 2.79Å | ||
| 128 | V | 53.8 | Low | 68.3 | Low | 40 Ų | 40 | 71.7 Ų | 71.7 | 24% | 0.242 | 40% | 0.402 | C | S | . | . | trans | -85.8 | 115.8 | 172.5 | 172.3 | 0 | 0 | 0 | 0 | 110 | L119 L124 L132 | L119-V128 HydrophobicContact CD2-CG1 3.43Å; L119-V128 VanDerWaalsContact CD2-CG1 3.43Å; L124-V128 HydrophobicContact CB-CB 4.45Å; L124-V128 HydrophobicContact CB-CG2 3.81Å; L124-V128 HydrophobicContact CD1-CB 4.18Å; L124-V128 HydrophobicContact CD1-CG1 4.43Å; L124-V128 HydrophobicContact CD1-CG2 3.56Å; L124-V128 HydrophobicContact CD2-CG2 3.4Å; L124-V128 VanDerWaalsContact CD2-CG2 3.4Å; L124-V128 HydrophobicContact CG-CG2 3.73Å; V128-L132 HydrophobicContact CG1-CB 4.18Å; V128-L132 HydrophobicContact CG1-CD1 4.26Å | ||
| 129 | T | 66.6 | Low | 68.7 | Low | 34 Ų | 34 | 70.9 Ų | 70.9 | 21% | 0.209 | 40% | 0.397 | C | S | . | . | trans | -73.4 | 146.1 | -172.5 | 54.8 | 0 | 0 | 0 | 0 | 111.6 | D77 M127 D131 L132 T133 | D77-T129 HydrophobicContact CB-CG2 3.97Å; D77-T129 VanDerWaalsContact CG-OG1 3.3Å; D77-T129 WeakPolarHBondContact OD1-CB 3.33Å; D77-T129 WeakPolarHBondContact OD1-CG2 3.47Å; D77-T129 PolarHBondContact OD1-OG1 2.83Å; D77-T129 WeakPolarHBondContact OD2-CG2 3.39Å; M127-T129 PolarHBondContact O-N 2.79Å; T129-D131 PolarHBondContact O-N 3.08Å; T129-L132 PolarHBondContact O-N 3.44Å; T129-L132 VanDerWaalsContact O-N 3.13Å; T129-T133 PolarHBondContact O-N 3.48Å | ||
| 130 | K | 69.1 | Low | 69.1 | Low | 178 Ų | 178 | 71.4 Ų | 71.4 | 77% | 0.774 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -41.8 | -31.5 | 168.5 | -178.2 | -179.5 | 174 | -176.5 | 0 | 112.5 | R134 | K130-R134 VanDerWaalsContact O-CB 3.32Å; K130-R134 WeakPolarHBondContact O-CB 3.18Å; K130-R134 PolarHBondContact O-N 3.22Å |
| 131 | D | 77.8 | Confident | 69.8 | Low | 37 Ų | 37 | 70.1 Ų | 70.1 | 20% | 0.198 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -73.3 | -45.4 | -176.7 | -62.6 | -45.2 | 0 | 0 | 0 | 113.4 | C80 R81 L84 T129 T133 R134 L135 | C80-D131 PolarHBondContact SG-O 3.27Å; C80-D131 VanDerWaalsContact SG-O 3.35Å; R81-D131 HydrophobicContact CG-CB 4.15Å; R81-D131 WeakPolarHBondContact CG-OD2 3.41Å; L84-D131 HydrophobicContact CD1-CB 3.87Å; L84-D131 WeakPolarHBondContact CD1-O 3.35Å; T129-D131 PolarHBondContact O-N 3.08Å; D131-T133 VanDerWaalsContact C-N 3.27Å; D131-T133 PolarHBondContact O-N 2.87Å; D131-R134 WeakPolarHBondContact O-CB 3.29Å; D131-R134 PolarHBondContact O-N 2.65Å; D131-L135 PolarHBondContact O-N 3.1Å |
| 132 | L | 80.4 | Confident | 70.8 | Confident | 2 Ų | 2 | 68.5 Ų | 68.5 | 1% | 0.01 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.5 | -35 | 175.5 | -74.6 | 170.1 | 0 | 0 | 0 | 112.3 | I64 L68 C80 L115 V128 T129 K136 | I64-L132 HydrophobicContact CG2-CD2 4.02Å; L68-L132 HydrophobicContact CD1-CD2 4.49Å; L68-L132 HydrophobicContact CD2-CD1 4.28Å; C80-L132 HydrophobicContact CB-CD2 3.85Å; C80-L132 HydrophobicContact CB-CG 4.27Å; L115-L132 HydrophobicContact CD1-CD2 4.14Å; V128-L132 HydrophobicContact CG1-CB 4.18Å; V128-L132 HydrophobicContact CG1-CD1 4.26Å; T129-L132 PolarHBondContact O-N 3.44Å; T129-L132 VanDerWaalsContact O-N 3.13Å; L132-K136 PolarHBondContact O-N 2.96Å |
| 133 | T | 80.7 | Confident | 72.2 | Confident | 72 Ų | 72 | 59.9 Ų | 59.9 | 44% | 0.442 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -69.1 | -43.1 | 175.4 | -53.7 | 0 | 0 | 0 | 0 | 110.6 | T129 D131 L135 K136 T137 | T129-T133 PolarHBondContact O-N 3.48Å; D131-T133 VanDerWaalsContact C-N 3.27Å; D131-T133 PolarHBondContact O-N 2.87Å; T133-L135 PolarHBondContact O-N 2.95Å; T133-K136 WeakPolarHBondContact O-CB 3.12Å; T133-K136 PolarHBondContact O-N 2.79Å; T133-T137 PolarHBondContact O-N 2.89Å; T133-T137 PolarHBondContact O-OG1 2.85Å; T133-T137 VanDerWaalsContact O-OG1 3.12Å |
| 134 | R | 81.9 | Confident | 73.3 | Confident | 109 Ų | 109 | 60.1 Ų | 60.1 | 41% | 0.411 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.5 | -42.3 | 175.1 | -174.7 | 177.5 | -178.1 | -167.8 | 1.5 | 111.9 | L84 K130 D131 T137 L138 | L84-R134 HydrophobicContact CD1-CB 4.32Å; L84-R134 HydrophobicContact CD1-CG 4.46Å; K130-R134 VanDerWaalsContact O-CB 3.32Å; K130-R134 WeakPolarHBondContact O-CB 3.18Å; K130-R134 PolarHBondContact O-N 3.22Å; D131-R134 WeakPolarHBondContact O-CB 3.29Å; D131-R134 PolarHBondContact O-N 2.65Å; R134-T137 PolarHBondContact O-N 3.2Å; R134-L138 HydrophobicContact CG-CD1 4.43Å; R134-L138 WeakPolarHBondContact O-CG 3.34Å; R134-L138 PolarHBondContact O-N 3.04Å |
| 135 | L | 85.1 | Confident | 74 | Confident | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.5 | -43.6 | 175.3 | -177.1 | 62 | 0 | 0 | 0 | 111.1 | L61 I64 L84 F95 L115 D131 T133 T137 L138 L139 | L61-L135 HydrophobicContact CD2-CD1 3.99Å; L61-L135 HydrophobicContact CD2-CD2 3.98Å; I64-L135 HydrophobicContact CD1-CD2 4.13Å; L84-L135 HydrophobicContact CD2-CD1 4.42Å; F95-L135 HydrophobicContact CZ-CD1 4.11Å; L115-L135 HydrophobicContact CD2-CD2 4.49Å; L115-L135 HydrophobicContact CD2-CG 4.22Å; D131-L135 PolarHBondContact O-N 3.1Å; T133-L135 PolarHBondContact O-N 2.95Å; L135-T137 VanDerWaalsContact C-N 3.32Å; L135-T137 PolarHBondContact O-N 2.71Å; L135-L138 PolarHBondContact O-N 2.94Å; L135-L139 HydrophobicContact CD1-CD2 4.45Å; L135-L139 HydrophobicContact CD1-CG 4.39Å; L135-L139 HydrophobicContact CG-CG 4.46Å; L135-L139 WeakPolarHBondContact O-CG 3.49Å; L135-L139 PolarHBondContact O-N 3.33Å |
| 136 | K | 84.7 | Confident | 74.5 | Confident | 60 Ų | 60 | 54.6 Ų | 54.6 | 26% | 0.261 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -57.7 | -44.9 | 175.7 | -177.3 | -173.4 | 178.4 | 174.6 | 0 | 112 | L115 L119 L132 T133 L139 S140 | L115-K136 VanDerWaalsContact CD2-CA 3.49Å; L115-K136 HydrophobicContact CD2-CB 3.74Å; L115-K136 HydrophobicContact CD2-CG 4.39Å; L115-K136 HydrophobicContact CG-CB 4.25Å; L119-K136 HydrophobicContact CB-CD 4.46Å; L119-K136 HydrophobicContact CD1-CB 3.86Å; L119-K136 HydrophobicContact CD1-CD 3.6Å; L119-K136 HydrophobicContact CD1-CG 4.21Å; L132-K136 PolarHBondContact O-N 2.96Å; T133-K136 WeakPolarHBondContact O-CB 3.12Å; T133-K136 PolarHBondContact O-N 2.79Å; K136-L139 PolarHBondContact O-N 2.96Å; K136-S140 WeakPolarHBondContact O-CB 3.4Å; K136-S140 PolarHBondContact O-N 3.35Å; K136-S140 PolarHBondContact O-OG 2.9Å |
| 137 | T | 82.7 | Confident | 74.6 | Confident | 69 Ų | 69 | 53.8 Ų | 53.8 | 42% | 0.423 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.6 | -46.2 | 177.6 | -52.5 | 0 | 0 | 0 | 0 | 110.8 | T133 R134 L135 L139 S140 E141 | T133-T137 PolarHBondContact O-N 2.89Å; T133-T137 PolarHBondContact O-OG1 2.85Å; T133-T137 VanDerWaalsContact O-OG1 3.12Å; R134-T137 PolarHBondContact O-N 3.2Å; L135-T137 VanDerWaalsContact C-N 3.32Å; L135-T137 PolarHBondContact O-N 2.71Å; T137-L139 PolarHBondContact O-N 3.31Å; T137-S140 PolarHBondContact O-N 3.01Å; T137-E141 HydrophobicContact CG2-CG 4.47Å; T137-E141 WeakPolarHBondContact CG2-OE1 3.19Å; T137-E141 WeakPolarHBondContact O-CB 3.31Å; T137-E141 WeakPolarHBondContact O-CG 3.37Å; T137-E141 PolarHBondContact O-N 3.21Å |
| 138 | L | 82.8 | Confident | 74.2 | Confident | 17 Ų | 17 | 53.5 Ų | 53.5 | 9% | 0.089 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.7 | -39.4 | 178.7 | -70 | 171.7 | 0 | 0 | 0 | 113.2 | L84 F95 R134 L135 T142 | L84-L138 HydrophobicContact CD2-CD1 3.73Å; F95-L138 HydrophobicContact CE1-CD1 4.06Å; R134-L138 HydrophobicContact CG-CD1 4.43Å; R134-L138 WeakPolarHBondContact O-CG 3.34Å; R134-L138 PolarHBondContact O-N 3.04Å; L135-L138 PolarHBondContact O-N 2.94Å; L138-T142 WeakPolarHBondContact O-CB 3.42Å; L138-T142 PolarHBondContact O-N 2.83Å; L138-T142 PolarHBondContact O-OG1 2.78Å |
| 139 | L | 84.7 | Confident | 73.8 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.1 | -43.4 | 175.1 | -64.6 | -168 | 0 | 0 | 0 | 111.1 | L99 L108 V111 L115 L135 K136 T137 T142 E143 | L99-L139 HydrophobicContact CD1-CD2 4.06Å; L99-L139 HydrophobicContact CD2-CD2 3.56Å; L99-L139 HydrophobicContact CG-CD2 4.41Å; L108-L139 HydrophobicContact CD1-CD2 3.8Å; L108-L139 HydrophobicContact CD2-CD2 4.21Å; L108-L139 HydrophobicContact CG-CD2 4.29Å; V111-L139 HydrophobicContact CG1-CD1 4Å; L115-L139 HydrophobicContact CD2-CD1 3.82Å; L135-L139 HydrophobicContact CD1-CD2 4.45Å; L135-L139 HydrophobicContact CD1-CG 4.39Å; L135-L139 HydrophobicContact CG-CG 4.46Å; L135-L139 WeakPolarHBondContact O-CG 3.49Å; L135-L139 PolarHBondContact O-N 3.33Å; K136-L139 PolarHBondContact O-N 2.96Å; T137-L139 PolarHBondContact O-N 3.31Å; L139-T142 PolarHBondContact O-N 3.43Å; L139-E143 VanDerWaalsContact O-CG 3.29Å; L139-E143 WeakPolarHBondContact O-CG 3.35Å; L139-E143 PolarHBondContact O-N 3.34Å |
| 140 | S | 83 | Confident | 72.7 | Confident | 46 Ų | 46 | 61.6 Ų | 61.6 | 32% | 0.322 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.9 | -40.8 | 178.8 | -53 | 0 | 0 | 0 | 0 | 112 | K136 T137 T142 E143 T144 | K136-S140 WeakPolarHBondContact O-CB 3.4Å; K136-S140 PolarHBondContact O-N 3.35Å; K136-S140 PolarHBondContact O-OG 2.9Å; T137-S140 PolarHBondContact O-N 3.01Å; S140-T142 VanDerWaalsContact C-N 3.31Å; S140-T142 PolarHBondContact O-N 3.47Å; S140-E143 PolarHBondContact O-N 3.5Å; S140-T144 WeakPolarHBondContact O-CB 3.44Å; S140-T144 WeakPolarHBondContact O-CG2 3.4Å; S140-T144 PolarHBondContact O-N 3.31Å; S140-T144 PolarHBondContact O-OG1 3.5Å |
| 141 | E | 81.9 | Confident | 71 | Confident | 79 Ų | 79 | 57.6 Ų | 57.6 | 37% | 0.369 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60 | -41.2 | 172 | -76.9 | 174 | -168.1 | 0 | 0 | 111.4 | R96 T137 T144 A145 | R96-E141 IonicContact CZ-OE2 3.08Å; R96-E141 IonicContact NH1-OE2 2.69Å; R96-E141 PolarHBondContact NH1-OE2 2.86Å; R96-E141 IonicContact NH2-OE2 2.77Å; R96-E141 PolarHBondContact NH2-OE2 3.32Å; T137-E141 HydrophobicContact CG2-CG 4.47Å; T137-E141 WeakPolarHBondContact CG2-OE1 3.19Å; T137-E141 WeakPolarHBondContact O-CB 3.31Å; T137-E141 WeakPolarHBondContact O-CG 3.37Å; T137-E141 PolarHBondContact O-N 3.21Å; E141-T144 WeakPolarHBondContact CA-OG1 3.22Å; E141-T144 PolarHBondContact O-OG1 3.37Å; E141-A145 WeakPolarHBondContact O-CB 3.24Å; E141-A145 PolarHBondContact O-N 2.97Å |
| 142 | T | 80.5 | Confident | 68.8 | Low | 5 Ų | 5 | 58.7 Ų | 58.7 | 3% | 0.031 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -71 | -39.8 | -180 | -53.2 | 0 | 0 | 0 | 0 | 111.7 | L99 L108 L138 L139 S140 T146 | L99-T142 HydrophobicContact CB-CG2 3.89Å; L108-T142 HydrophobicContact CD2-CG2 4.43Å; L138-T142 WeakPolarHBondContact O-CB 3.42Å; L138-T142 PolarHBondContact O-N 2.83Å; L138-T142 PolarHBondContact O-OG1 2.78Å; L139-T142 PolarHBondContact O-N 3.43Å; S140-T142 VanDerWaalsContact C-N 3.31Å; S140-T142 PolarHBondContact O-N 3.47Å; T142-T146 WeakPolarHBondContact O-CB 3.35Å; T142-T146 PolarHBondContact O-N 3.42Å; T142-T146 PolarHBondContact O-OG1 2.78Å |
| 143 | E | 77.1 | Confident | 66.3 | Low | 28 Ų | 28 | 69.2 Ų | 69.2 | 13% | 0.131 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -64.6 | -41 | 176.1 | -72.1 | 176.6 | 147.1 | 0 | 0 | 111.7 | L108 Q109 S112 L139 S140 S147 | L108-E143 HydrophobicContact CD2-CG 4.32Å; Q109-E143 PolarHBondContact NE2-OE1 2.67Å; S112-E143 WeakPolarHBondContact CB-OE1 3.35Å; S112-E143 VanDerWaalsContact OG-CD 3.25Å; S112-E143 PolarHBondContact OG-OE1 2.75Å; S112-E143 VanDerWaalsContact OG-OE1 3.11Å; S112-E143 PolarHBondContact OG-OE2 3.19Å; L139-E143 VanDerWaalsContact O-CG 3.29Å; L139-E143 WeakPolarHBondContact O-CG 3.35Å; L139-E143 PolarHBondContact O-N 3.34Å; S140-E143 PolarHBondContact O-N 3.5Å; E143-S147 VanDerWaalsContact O-CB 3.27Å; E143-S147 WeakPolarHBondContact O-CB 3.15Å; E143-S147 PolarHBondContact O-N 3.37Å; E143-S147 PolarHBondContact O-OG 3Å |
| 144 | T | 74.7 | Confident | 63.9 | Low | 78 Ų | 78 | 73.4 Ų | 73.4 | 48% | 0.479 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -72.3 | -43.2 | 176.8 | 50.5 | 0 | 0 | 0 | 0 | 112.3 | S140 E141 T146 S147 N148 | S140-T144 WeakPolarHBondContact O-CB 3.44Å; S140-T144 WeakPolarHBondContact O-CG2 3.4Å; S140-T144 PolarHBondContact O-N 3.31Å; S140-T144 PolarHBondContact O-OG1 3.5Å; E141-T144 WeakPolarHBondContact CA-OG1 3.22Å; E141-T144 PolarHBondContact O-OG1 3.37Å; T144-T146 VanDerWaalsContact C-N 3.33Å; T144-T146 PolarHBondContact O-N 2.87Å; T144-S147 PolarHBondContact O-N 2.82Å; T144-N148 WeakPolarHBondContact O-CB 3.22Å; T144-N148 PolarHBondContact O-N 2.92Å; T144-N148 PolarHBondContact O-ND2 3.15Å |
| 145 | A | 70 | Confident | 61.6 | Low | 59 Ų | 59 | 74.9 Ų | 74.9 | 49% | 0.488 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.6 | -40.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | E141 A149 | E141-A145 WeakPolarHBondContact O-CB 3.24Å; E141-A145 PolarHBondContact O-N 2.97Å; A145-A149 PolarHBondContact O-N 3.28Å; A145-A149 VanDerWaalsContact O-N 3.17Å |
| 146 | T | 60.5 | Low | 59.4 | Low | 25 Ų | 25 | 82.1 Ų | 82.1 | 15% | 0.153 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -76.5 | -33.3 | 179.4 | -47.2 | 0 | 0 | 0 | 0 | 112.2 | Q103 L104 T142 T144 A149 L150 | Q103-T146 HydrophobicContact CG-CG2 3.86Å; L104-T146 HydrophobicContact CD2-CG2 3.87Å; L104-T146 HydrophobicContact CG-CG2 4.31Å; T142-T146 WeakPolarHBondContact O-CB 3.35Å; T142-T146 PolarHBondContact O-N 3.42Å; T142-T146 PolarHBondContact O-OG1 2.78Å; T144-T146 VanDerWaalsContact C-N 3.33Å; T144-T146 PolarHBondContact O-N 2.87Å; T146-A149 PolarHBondContact O-N 3.45Å; T146-L150 PolarHBondContact O-N 2.92Å |
| 147 | S | 55 | Low | 56.9 | Low | 65 Ų | 65 | 85.5 Ų | 85.5 | 46% | 0.455 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -71 | -36.5 | 175.7 | -58.7 | 0 | 0 | 0 | 0 | 112.2 | E143 T144 A149 L150 S151 | E143-S147 VanDerWaalsContact O-CB 3.27Å; E143-S147 WeakPolarHBondContact O-CB 3.15Å; E143-S147 PolarHBondContact O-N 3.37Å; E143-S147 PolarHBondContact O-OG 3Å; T144-S147 PolarHBondContact O-N 2.82Å; S147-A149 VanDerWaalsContact C-N 3.29Å; S147-A149 PolarHBondContact O-N 3.38Å; S147-L150 PolarHBondContact O-N 2.74Å; S147-S151 PolarHBondContact O-N 2.8Å |
| 148 | N | 45 | Very low | 54.6 | Low | 120 Ų | 120 | 90 Ų | 90 | 64% | 0.642 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -68.8 | -28.3 | 173.2 | -67.9 | -16.9 | 0 | 0 | 0 | 112 | T144 L150 | T144-N148 WeakPolarHBondContact O-CB 3.22Å; T144-N148 PolarHBondContact O-N 2.92Å; T144-N148 PolarHBondContact O-ND2 3.15Å; N148-L150 VanDerWaalsContact C-N 3.32Å |
| 149 | A | 44.8 | Very low | 52.3 | Low | 84 Ų | 84 | 96.3 Ų | 96.3 | 69% | 0.694 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -71.7 | -22.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | A145 T146 S147 | A145-A149 PolarHBondContact O-N 3.28Å; A145-A149 VanDerWaalsContact O-N 3.17Å; T146-A149 PolarHBondContact O-N 3.45Å; S147-A149 VanDerWaalsContact C-N 3.29Å; S147-A149 PolarHBondContact O-N 3.38Å |
| 150 | L | 43.6 | Very low | 50 | Low | 160 Ų | 160 | 104.4 Ų | 104.4 | 84% | 0.838 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -94.9 | -10 | 179.2 | -144.4 | 80.4 | 0 | 0 | 0 | 113.4 | T146 S147 N148 | T146-L150 PolarHBondContact O-N 2.92Å; S147-L150 PolarHBondContact O-N 2.74Å; N148-L150 VanDerWaalsContact C-N 3.32Å |
| 151 | S | 35.2 | Very low | 47.6 | Very low | 93 Ų | 93 | 105 Ų | 105 | 65% | 0.65 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -128.6 | 79.5 | -174.5 | 167.9 | 0 | 0 | 0 | 0 | 111.3 | S147 | S147-S151 PolarHBondContact O-N 2.8Š|
| 152 | G | 29.6 | Very low | 45.9 | Very low | 61 Ų | 61 | 107 Ų | 107 | 63% | 0.629 | 62% | 0.617 | S | S | * | * | S | Bend | trans | 76.7 | 101.9 | 155.1 | 0 | 0 | 0 | 0 | 0 | 118 | ||
| 153 | Y | 28.5 | Very low | 43.8 | Very low | 223 Ų | 223 | 112.4 Ų | 112.4 | 88% | 0.875 | 65% | 0.654 | S | S | * | * | trans | 39.2 | 103.6 | 148.6 | -61.8 | -83.6 | 0 | 0 | 0 | 120.4 | ||||
| 154 | H | 30.5 | Very low | 42.3 | Very low | 159 Ų | 159 | 116.7 Ų | 116.7 | 74% | 0.736 | 68% | 0.678 | S | S | * | * | -172.9 | 104.3 | 120.2 | -138.5 | -81.9 | 0 | 0 | 0 | 108.6 | E156 | H154-E156 IonicContact CE1-OE2 3.7Š| |||
| 155 | V | 32.9 | Very low | 41.4 | Very low | 141 Ų | 141 | 116.1 Ų | 116.1 | 86% | 0.855 | 69% | 0.687 | S | S | * | * | trans | -108.6 | 79.5 | 165 | -177.6 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 156 | E | 38.8 | Very low | 41.5 | Very low | 153 Ų | 153 | 117.7 Ų | 117.7 | 72% | 0.715 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -116.4 | 133.7 | 144.7 | -74.6 | -171 | 149.8 | 0 | 0 | 105.8 | H154 | H154-E156 IonicContact CE1-OE2 3.7Š|
| 157 | D | 33.6 | Very low | 42 | Very low | 130 Ų | 130 | 124 Ų | 124 | 70% | 0.695 | 71% | 0.708 | S | S | * | * | S | Bend | trans | 72.1 | 46.9 | 168.8 | -71 | -7.7 | 0 | 0 | 0 | 119.7 | ||
| 158 | L | 32.9 | Very low | 43.3 | Very low | 164 Ų | 164 | 124.5 Ų | 124.5 | 86% | 0.859 | 70% | 0.702 | S | S | * | * | trans | -122.2 | 119 | 144.2 | -75.9 | 170.6 | 0 | 0 | 0 | 110.7 | E160 | L158-E160 PolarHBondContact O-N 2.94Å; L158-E160 VanDerWaalsContact O-N 3.13Å | ||
| 159 | D | 35.9 | Very low | 44.8 | Very low | 149 Ų | 149 | 121.1 Ų | 121.1 | 80% | 0.797 | 68% | 0.68 | S | S | * | * | trans | -49.7 | 104.3 | -179.9 | -160.1 | 13.5 | 0 | 0 | 0 | 111 | G161 | D159-G161 PolarHBondContact O-N 3.21Š| ||
| 160 | E | 34.9 | Very low | 46.1 | Very low | 171 Ų | 171 | 121.6 Ų | 121.6 | 80% | 0.799 | 68% | 0.677 | S | S | * | * | trans | -74.5 | 67.5 | 166 | -159.6 | -178.6 | -146.5 | 0 | 0 | 107.9 | L158 S162 | L158-E160 PolarHBondContact O-N 2.94Å; L158-E160 VanDerWaalsContact O-N 3.13Å; E160-S162 PolarHBondContact O-N 2.96Å | ||
| 161 | G | 34.4 | Very low | 47.7 | Very low | 58 Ų | 58 | 115.5 Ų | 115.5 | 60% | 0.598 | 65% | 0.647 | S | S | * | * | trans | -75.3 | 112.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110 | D159 | D159-G161 PolarHBondContact O-N 3.21Š| ||
| 162 | S | 45.1 | Very low | 49.5 | Very low | 121 Ų | 121 | 112.4 Ų | 112.4 | 85% | 0.846 | 62% | 0.624 | S | S | * | * | S | Bend | trans | 90.9 | 82.2 | 160.7 | -154.7 | 0 | 0 | 0 | 0 | 118.2 | E160 | E160-S162 PolarHBondContact O-N 2.96Š|
| 163 | C | 36.8 | Very low | 51.1 | Low | 118 Ų | 118 | 119.8 Ų | 119.8 | 80% | 0.797 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -157.2 | 32.9 | 135.1 | -155.4 | 0 | 0 | 0 | 0 | 114.1 | ||
| 164 | N | 46 | Very low | 52.5 | Low | 118 Ų | 118 | 112.8 Ų | 112.8 | 63% | 0.631 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -141.5 | 123.1 | 169.8 | -79.8 | -48.3 | 0 | 0 | 0 | 108.4 | W166 | N164-W166 PolarHBondContact O-N 3.31Š|
| 165 | G | 54.8 | Low | 54.1 | Low | 66 Ų | 66 | 107 Ų | 107 | 68% | 0.68 | 60% | 0.603 | S | S | * | * | trans | -59.4 | 71.7 | -172 | 0 | 0 | 0 | 0 | 0 | 115.3 | H167 | G165-H167 PolarHBondContact O-CE1 3.34Å; G165-H167 PolarHBondContact O-ND1 3.35Å | ||
| 166 | W | 72.6 | Confident | 55.6 | Low | 93 Ų | 93 | 105.6 Ų | 105.6 | 35% | 0.352 | 60% | 0.595 | S | S | . | * | trans | -92.6 | 129.6 | 170 | -55.7 | 119.8 | 0 | 0 | 0 | 109.4 | N164 E210 K213 R214 | N164-W166 PolarHBondContact O-N 3.31Å; W166-E210 WeakPolarHBondContact CA-OE2 3.43Å; W166-E210 HydrophobicContact CD2-CG 4.43Å; W166-E210 HydrophobicContact CE3-CG 3.53Å; W166-E210 HydrophobicContact CZ3-CG 4.01Å; W166-K213 HydrophobicContact CH2-CD 3.99Å; W166-K213 HydrophobicContact CH2-CG 3.96Å; W166-K213 HydrophobicContact CZ3-CD 3.85Å; W166-K213 HydrophobicContact CZ3-CG 4.15Å; W166-R214 HydrophobicContact CD2-CG 4.11Å; W166-R214 HydrophobicContact CE3-CG 4.31Å; W166-R214 HydrophobicContact CH2-CG 4.4Å; W166-R214 HydrophobicContact CZ2-CG 4.22Å; W166-R214 HydrophobicContact CZ3-CG 4.44Å | ||
| 167 | H | 71.6 | Confident | 57.1 | Low | 157 Ų | 157 | 100.1 Ų | 100.1 | 73% | 0.727 | 57% | 0.573 | S | S | * | * | trans | -103.1 | -12.4 | -166.2 | -60.5 | 82.5 | 0 | 0 | 0 | 112.8 | G165 E210 | G165-H167 PolarHBondContact O-CE1 3.34Å; G165-H167 PolarHBondContact O-ND1 3.35Å; H167-E210 PolarHBondContact N-OE1 3.25Å; H167-E210 PolarHBondContact N-OE2 2.92Å | ||
| 168 | F | 80.8 | Confident | 58.8 | Low | 76 Ų | 76 | 95.6 Ų | 95.6 | 33% | 0.333 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -112.9 | 169 | -176.2 | -59.8 | -83 | 0 | 0 | 0 | 112.6 | E206 E207 E210 R214 | F168-E206 HydrophobicContact CE1-CB 4.34Å; F168-E206 HydrophobicContact CE2-CB 3.72Å; F168-E206 HydrophobicContact CZ-CB 3.46Å; F168-E206 VanDerWaalsContact CZ-CB 3.46Å; F168-E207 HydrophobicContact CB-CB 4.17Å; F168-E207 HydrophobicContact CB-CG 3.94Å; F168-E207 HydrophobicContact CD1-CB 3.7Å; F168-E207 HydrophobicContact CD1-CG 4.24Å; F168-E207 HydrophobicContact CE1-CB 4.22Å; F168-E207 HydrophobicContact CG-CB 3.87Å; F168-E207 HydrophobicContact CG-CG 4.21Å; F168-E210 WeakPolarHBondContact CB-OE1 3.33Å; F168-E210 HydrophobicContact CD2-CB 4.01Å; F168-E210 HydrophobicContact CD2-CG 4.43Å; F168-E210 PolarHBondContact N-OE1 3.41Å; F168-R214 PolarHBondContact O-NH2 3.17Å |
| 169 | R | 77.4 | Confident | 60.8 | Low | 48 Ų | 48 | 96.2 Ų | 96.2 | 18% | 0.181 | 55% | 0.55 | C | S | . | * | P | Polyproline II helix | trans | -64.3 | 156.4 | 178.6 | 57.2 | 173.9 | 177.8 | 126 | 14.1 | 111.3 | A197 C199 S201 E207 W211 | R169-A197 PolarHBondContact NH1-O 2.76Å; R169-C199 PolarHBondContact NH1-O 3.12Å; R169-C199 PolarHBondContact NH2-O 3.3Å; R169-S201 PolarHBondContact NH2-O 3.07Å; R169-E207 WeakPolarHBondContact CD-OE1 3.39Å; R169-E207 WeakPolarHBondContact CG-OE1 3.39Å; R169-E207 IonicContact CZ-OE1 3.34Å; R169-E207 VanDerWaalsContact CZ-OE1 3.3Å; R169-E207 IonicContact NE-OE1 3.63Å; R169-E207 PolarHBondContact NE-OE1 3.4Å; R169-E207 IonicContact NH2-OE1 3.35Å; R169-E207 PolarHBondContact NH2-OE1 3.48Å; R169-W211 HydrophobicContact CG-CZ2 4.05Å; R169-W211 PolarHBondContact O-NE1 3.2Å |
| 170 | P | 72.6 | Confident | 62.7 | Low | 95 Ų | 95 | 93.5 Ų | 93.5 | 62% | 0.617 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -64 | 147.3 | 178.8 | 25 | -34.3 | 0 | 0 | 0 | 112.2 | ||
| 171 | P | 77.6 | Confident | 65 | Low | 32 Ų | 32 | 86.2 Ų | 86.2 | 21% | 0.208 | 50% | 0.498 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 151.8 | 175.7 | 25 | -32.2 | 0 | 0 | 0 | 111.9 | Y181 W211 | P171-Y181 HydrophobicContact CB-CE1 3.7Å; P171-W211 HydrophobicContact CB-CB 3.99Å; P171-W211 HydrophobicContact CB-CD2 3.85Å; P171-W211 HydrophobicContact CB-CE3 4.32Å; P171-W211 HydrophobicContact CB-CG 3.69Å; P171-W211 HydrophobicContact CG-CG 4.47Å |
| 172 | P | 72.8 | Confident | 67.5 | Low | 28 Ų | 28 | 87.1 Ų | 87.1 | 18% | 0.182 | 49% | 0.492 | C | S | . | . | P | Polyproline II helix | trans | -57.6 | 141.4 | 176 | -21.9 | 29.3 | 0 | 0 | 0 | 112.5 | I175 T200 W211 | P172-I175 HydrophobicContact CB-CD1 3.95Å; P172-I175 HydrophobicContact CG-CD1 4.16Å; P172-T200 HydrophobicContact CB-CG2 4.4Å; P172-T200 WeakPolarHBondContact CG-O 3.1Å; P172-W211 HydrophobicContact CG-CH2 4Å; P172-W211 HydrophobicContact CG-CZ3 3.93Å |
| 173 | R | 62.1 | Low | 69.5 | Low | 215 Ų | 215 | 83.8 Ų | 83.8 | 81% | 0.811 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | 146 | 176.6 | -62.3 | -174.7 | 178.7 | -135.2 | 0.9 | 110.2 | ||
| 174 | G | 58.3 | Low | 71.9 | Confident | 76 Ų | 76 | 78.6 Ų | 78.6 | 78% | 0.784 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.2 | 1.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 175 | I | 64.6 | Low | 73.7 | Confident | 39 Ų | 39 | 80.6 Ų | 80.6 | 20% | 0.2 | 43% | 0.433 | C | S | . | . | trans | -81.2 | 123.3 | 173.2 | -71.5 | 170.3 | 0 | 0 | 0 | 109.4 | P172 S177 E180 Y181 | P172-I175 HydrophobicContact CB-CD1 3.95Å; P172-I175 HydrophobicContact CG-CD1 4.16Å; I175-S177 WeakPolarHBondContact CG2-O 3.25Å; I175-E180 HydrophobicContact CG2-CB 3.8Å; I175-Y181 HydrophobicContact CB-CE1 4.07Å; I175-Y181 HydrophobicContact CD1-CD1 3.54Å; I175-Y181 HydrophobicContact CD1-CE1 3.32Å; I175-Y181 HydrophobicContact CG1-CE1 4.27Å; I175-Y181 HydrophobicContact CG2-CD1 4.32Å; I175-Y181 HydrophobicContact CG2-CD2 4.47Å; I175-Y181 HydrophobicContact CG2-CE1 3.89Å; I175-Y181 HydrophobicContact CG2-CE2 4.06Å | ||
| 176 | T | 64.8 | Low | 74.9 | Confident | 110 Ų | 110 | 83.1 Ų | 83.1 | 68% | 0.675 | 42% | 0.422 | S | S | * | . | trans | -98.5 | -10.3 | -173.6 | 46.5 | 0 | 0 | 0 | 0 | 113.9 | E180 Y215 | T176-E180 PolarHBondContact N-OE2 3.14Å; T176-E180 PolarHBondContact OG1-OE1 2.79Å; T176-Y215 PolarHBondContact O-OH 2.85Å | ||
| 177 | S | 69 | Low | 75.5 | Confident | 38 Ų | 38 | 81.9 Ų | 81.9 | 27% | 0.266 | 42% | 0.419 | S | S | . | . | trans | -134.3 | 147 | 179.4 | 175.7 | 0 | 0 | 0 | 0 | 112.6 | I175 E179 E180 | I175-S177 WeakPolarHBondContact CG2-O 3.25Å; S177-E179 PolarHBondContact O-N 2.86Å; S177-E179 PolarHBondContact OG-N 3.45Å; S177-E180 WeakPolarHBondContact CB-OE1 3.28Å; S177-E180 PolarHBondContact O-N 2.69Å | ||
| 178 | S | 69.1 | Low | 76 | Confident | 36 Ų | 36 | 79 Ų | 79 | 25% | 0.252 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -21.8 | 174 | -174.4 | 0 | 0 | 0 | 0 | 113.5 | Q212 | S178-Q212 PolarHBondContact O-NE2 3.5Å; S178-Q212 WeakPolarHBondContact OG-CG 3.3Å |
| 179 | E | 74.7 | Confident | 76 | Confident | 176 Ų | 176 | 82.4 Ų | 82.4 | 82% | 0.822 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -14.8 | -177.2 | -63.2 | 179.3 | 179 | 0 | 0 | 112.8 | S177 Y181 | S177-E179 PolarHBondContact O-N 2.86Å; S177-E179 PolarHBondContact OG-N 3.45Å; E179-Y181 VanDerWaalsContact C-N 3.31Å |
| 180 | E | 77.4 | Confident | 76.1 | Confident | 93 Ų | 93 | 86.4 Ų | 86.4 | 44% | 0.435 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -78.5 | -15 | 178.6 | -72.3 | 167.2 | -146.8 | 0 | 0 | 112.6 | I175 T176 S177 T182 | I175-E180 HydrophobicContact CG2-CB 3.8Å; T176-E180 PolarHBondContact N-OE2 3.14Å; T176-E180 PolarHBondContact OG1-OE1 2.79Å; S177-E180 WeakPolarHBondContact CB-OE1 3.28Å; S177-E180 PolarHBondContact O-N 2.69Å; E180-T182 PolarHBondContact O-N 3.06Å |
| 181 | Y | 81.9 | Confident | 76.3 | Confident | 18 Ų | 18 | 84.1 Ų | 84.1 | 7% | 0.071 | 44% | 0.44 | C | S | . | . | trans | -73.1 | 125.1 | 174.8 | -64.1 | -63.5 | 0 | 0 | 0 | 111 | P171 I175 E179 L208 W211 Q212 Y215 | P171-Y181 HydrophobicContact CB-CE1 3.7Å; I175-Y181 HydrophobicContact CB-CE1 4.07Å; I175-Y181 HydrophobicContact CD1-CD1 3.54Å; I175-Y181 HydrophobicContact CD1-CE1 3.32Å; I175-Y181 HydrophobicContact CG1-CE1 4.27Å; I175-Y181 HydrophobicContact CG2-CD1 4.32Å; I175-Y181 HydrophobicContact CG2-CD2 4.47Å; I175-Y181 HydrophobicContact CG2-CE1 3.89Å; I175-Y181 HydrophobicContact CG2-CE2 4.06Å; E179-Y181 VanDerWaalsContact C-N 3.31Å; Y181-L208 HydrophobicContact CG-CD1 4.46Å; Y181-W211 AromaticContact CD1-CE3 3.62Å; Y181-W211 HydrophobicContact CD1-CE3 3.62Å; Y181-W211 HydrophobicContact CD1-CZ3 4.26Å; Y181-W211 HydrophobicContact CE1-CE3 4.07Å; Y181-W211 HydrophobicContact CG-CE3 4.33Å; Y181-Q212 HydrophobicContact CD2-CG 4.13Å; Y181-Y215 HydrophobicContact CE2-CD2 4.45Å; Y181-Y215 HydrophobicContact CE2-CG 4.42Å | ||
| 182 | T | 86.9 | Confident | 76.3 | Confident | 76 Ų | 76 | 88.7 Ų | 88.7 | 47% | 0.466 | 46% | 0.461 | S | S | . | . | trans | -130.8 | 158.1 | -175.4 | 53.6 | 0 | 0 | 0 | 0 | 112 | E180 S201 A202 | E180-T182 PolarHBondContact O-N 3.06Å; T182-S201 CarbonylContact O-C 3.53Å; T182-S201 VanDerWaalsContact O-CA 3.24Å; T182-S201 WeakPolarHBondContact O-CA 3.38Å; T182-S201 VanDerWaalsContact O-CB 3.27Å; T182-S201 WeakPolarHBondContact O-CB 3.31Å; T182-S201 PolarHBondContact OG1-OG 3.35Å; T182-A202 PolarHBondContact O-N 2.91Å | ||
| 183 | L | 88 | Confident | 76.7 | Confident | 51 Ų | 51 | 88.1 Ų | 88.1 | 27% | 0.267 | 46% | 0.458 | S | S | . | . | B | Isolated β-bridge | trans | -79.4 | 142.1 | 175.9 | -64.5 | 172.1 | 0 | 0 | 0 | 112.5 | K185 L188 A202 S204 L208 | L183-K185 PolarHBondContact O-N 2.97Å; L183-L188 HydrophobicContact CB-CD1 3.83Å; L183-L188 HydrophobicContact CD1-CD1 3.94Å; L183-L188 HydrophobicContact CG-CD1 4.4Å; L183-A202 CarbonylContact C-O 3.51Å; L183-A202 WeakPolarHBondContact CA-O 3.36Å; L183-A202 HydrophobicContact CD2-CB 4.21Å; L183-S204 VanDerWaalsContact CD2-O 3.3Å; L183-S204 WeakPolarHBondContact CD2-O 3.35Å; L183-L208 HydrophobicContact CD2-CB 3.94Å; L183-L208 HydrophobicContact CD2-CD2 3.83Å; L183-L208 HydrophobicContact CG-CD2 3.88Å |
| 184 | C | 85.9 | Confident | 77.2 | Confident | 10 Ų | 10 | 88.5 Ų | 88.5 | 7% | 0.068 | 46% | 0.459 | C | S | . | . | trans | -77.6 | 99 | 175.5 | -177.3 | 0 | 0 | 0 | 0 | 110 | R186 F187 L188 A202 | C184-R186 VanDerWaalsContact C-N 3.28Å; C184-R186 PolarHBondContact O-N 2.94Å; C184-F187 HydrophobicContact CB-CB 4.03Å; C184-F187 PolarHBondContact O-N 2.93Å; C184-F187 VanDerWaalsContact O-N 3.14Å; C184-L188 WeakPolarHBondContact O-CG 3.31Å; C184-L188 PolarHBondContact O-N 3.49Å; C184-L188 VanDerWaalsContact O-N 3.1Å; C184-A202 WeakPolarHBondContact CB-O 3.45Å; C184-A202 PolarHBondContact N-O 2.87Å | ||
| 185 | K | 84.9 | Confident | 77.5 | Confident | 160 Ų | 160 | 91.6 Ų | 91.6 | 70% | 0.696 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -53.4 | -42.5 | 179.7 | -63.2 | -175 | 178 | -177.6 | 0 | 113.2 | L183 F187 L188 E189 | L183-K185 PolarHBondContact O-N 2.97Å; K185-F187 PolarHBondContact O-N 3.47Å; K185-L188 PolarHBondContact O-N 3.24Å; K185-E189 WeakPolarHBondContact O-CB 3.43Å; K185-E189 VanDerWaalsContact O-CG 3.28Å; K185-E189 WeakPolarHBondContact O-CG 3.39Å; K185-E189 PolarHBondContact O-N 3.24Å |
| 186 | R | 80.3 | Confident | 78.1 | Confident | 119 Ų | 119 | 91.3 Ų | 91.3 | 45% | 0.449 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64.3 | -38.7 | 179.9 | -102.7 | -176.1 | -96.2 | 167.6 | -6.1 | 113.2 | C184 Q190 | C184-R186 VanDerWaalsContact C-N 3.28Å; C184-R186 PolarHBondContact O-N 2.94Å; R186-Q190 WeakPolarHBondContact O-CB 3.31Å; R186-Q190 PolarHBondContact O-N 2.97Å |
| 187 | F | 85.1 | Confident | 78.4 | Confident | 67 Ų | 67 | 90.2 Ų | 90.2 | 29% | 0.294 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -70.5 | -40.5 | 177.1 | -167.4 | -86.4 | 0 | 0 | 0 | 111.1 | C184 K185 E189 G191 C193 H203 | C184-F187 HydrophobicContact CB-CB 4.03Å; C184-F187 PolarHBondContact O-N 2.93Å; C184-F187 VanDerWaalsContact O-N 3.14Å; K185-F187 PolarHBondContact O-N 3.47Å; F187-E189 VanDerWaalsContact C-N 3.35Å; F187-E189 PolarHBondContact O-N 3.34Å; F187-G191 WeakPolarHBondContact CE2-O 3.2Å; F187-G191 WeakPolarHBondContact O-CA 3.11Å; F187-G191 PolarHBondContact O-N 3.36Å; F187-C193 HydrophobicContact CB-CB 4.14Å; F187-C193 HydrophobicContact CD2-CB 3.72Å; F187-C193 HydrophobicContact CG-CB 4.41Å; F187-H203 HydrophobicContact CB-CB 4.26Å; F187-H203 HydrophobicContact CD1-CB 3.49Å; F187-H203 VanDerWaalsContact CD1-CB 3.49Å; F187-H203 AromaticContact CD1-CG 3.96Å; F187-H203 WeakPolarHBondContact CD1-O 3.46Å; F187-H203 HydrophobicContact CD2-CB 4.06Å; F187-H203 AromaticContact CD2-CE1 3.86Å; F187-H203 AromaticContact CD2-CG 3.63Å; F187-H203 AromaticContact CD2-ND1 3.51Å; F187-H203 HydrophobicContact CE1-CB 3.71Å; F187-H203 HydrophobicContact CE2-CB 4.27Å; F187-H203 AromaticContact CE2-ND1 3.66Å; F187-H203 HydrophobicContact CG-CB 3.66Å; F187-H203 AromaticContact CG-CD2 3.88Å; F187-H203 AromaticContact CG-CG 3.56Å; F187-H203 AromaticContact CG-ND1 3.96Å; F187-H203 HydrophobicContact CZ-CB 4.1Å |
| 188 | L | 82.8 | Confident | 78.4 | Confident | 95 Ų | 95 | 96.6 Ų | 96.6 | 50% | 0.497 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.2 | -38.7 | 177.2 | -67.4 | 177.5 | 0 | 0 | 0 | 112.6 | L183 C184 K185 | L183-L188 HydrophobicContact CB-CD1 3.83Å; L183-L188 HydrophobicContact CD1-CD1 3.94Å; L183-L188 HydrophobicContact CG-CD1 4.4Å; C184-L188 WeakPolarHBondContact O-CG 3.31Å; C184-L188 PolarHBondContact O-N 3.49Å; C184-L188 VanDerWaalsContact O-N 3.1Å; K185-L188 PolarHBondContact O-N 3.24Å |
| 189 | E | 80.6 | Confident | 78.8 | Confident | 148 Ų | 148 | 95.3 Ų | 95.3 | 69% | 0.692 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -81.4 | -33.7 | -177.4 | -71.1 | 167.5 | -172.3 | 0 | 0 | 113.4 | K185 F187 | K185-E189 WeakPolarHBondContact O-CB 3.43Å; K185-E189 VanDerWaalsContact O-CG 3.28Å; K185-E189 WeakPolarHBondContact O-CG 3.39Å; K185-E189 PolarHBondContact O-N 3.24Å; F187-E189 VanDerWaalsContact C-N 3.35Å; F187-E189 PolarHBondContact O-N 3.34Å |
| 190 | Q | 79.4 | Confident | 79 | Confident | 132 Ų | 132 | 91.7 Ų | 91.7 | 62% | 0.617 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -120.4 | -5.2 | -169.4 | -57.1 | -178.3 | -13 | 0 | 0 | 113.9 | R186 I192 | R186-Q190 WeakPolarHBondContact O-CB 3.31Å; R186-Q190 PolarHBondContact O-N 2.97Å; Q190-I192 PolarHBondContact O-N 3.5Å; Q190-I192 VanDerWaalsContact O-N 3.08Å |
| 191 | G | 77 | Confident | 79.3 | Confident | 48 Ų | 48 | 88.5 Ų | 88.5 | 50% | 0.495 | 45% | 0.451 | S | S | . | . | S | Bend | trans | 67.1 | 0.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | F187 | F187-G191 WeakPolarHBondContact CE2-O 3.2Å; F187-G191 WeakPolarHBondContact O-CA 3.11Å; F187-G191 PolarHBondContact O-N 3.36Å |
| 192 | I | 76.2 | Confident | 79.6 | Confident | 127 Ų | 127 | 87.6 Ų | 87.6 | 65% | 0.651 | 45% | 0.448 | S | S | * | . | trans | -137.9 | 126.6 | -173.3 | -57 | 176.8 | 0 | 0 | 0 | 109.6 | Q190 | Q190-I192 PolarHBondContact O-N 3.5Å; Q190-I192 VanDerWaalsContact O-N 3.08Å | ||
| 193 | C | 81.1 | Confident | 79.5 | Confident | 16 Ų | 16 | 85.1 Ų | 85.1 | 11% | 0.108 | 43% | 0.431 | C | S | . | . | trans | -113.5 | 125.7 | 174.1 | 179.9 | 0 | 0 | 0 | 0 | 110.1 | F187 Y195 G196 C199 H203 | F187-C193 HydrophobicContact CB-CB 4.14Å; F187-C193 HydrophobicContact CD2-CB 3.72Å; F187-C193 HydrophobicContact CG-CB 4.41Å; C193-Y195 PolarHBondContact O-N 2.97Å; C193-Y195 VanDerWaalsContact O-N 3.15Å; C193-Y195 PolarHBondContact SG-N 3.03Å; C193-Y195 VanDerWaalsContact SG-N 3.43Å; C193-G196 PolarHBondContact O-N 3.37Å; C193-G196 VanDerWaalsContact O-N 3.11Å; C193-C199 VanDerWaalsContact SG-SG 3.68Å; C193-H203 WeakPolarHBondContact CB-NE2 3.42Å; C193-H203 PolarHBondContact SG-NE2 3.2Å | ||
| 194 | R | 73.1 | Confident | 79.4 | Confident | 224 Ų | 224 | 83.9 Ų | 83.9 | 85% | 0.845 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -22.7 | 177.6 | -64.9 | -174.9 | -177.2 | 177.5 | -0.5 | 113.6 | ||
| 195 | Y | 65.9 | Low | 79.4 | Confident | 141 Ų | 141 | 88.5 Ų | 88.5 | 55% | 0.553 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -8.1 | -179.5 | -55.2 | -73.5 | 0 | 0 | 0 | 113.2 | C193 A197 Q198 C199 | C193-Y195 PolarHBondContact O-N 2.97Å; C193-Y195 VanDerWaalsContact O-N 3.15Å; C193-Y195 PolarHBondContact SG-N 3.03Å; C193-Y195 VanDerWaalsContact SG-N 3.43Å; Y195-A197 PolarHBondContact O-N 3.26Å; Y195-Q198 WeakPolarHBondContact O-CA 3.43Å; Y195-Q198 WeakPolarHBondContact O-CB 3.36Å; Y195-Q198 PolarHBondContact O-N 3.3Å; Y195-C199 PolarHBondContact O-N 2.93Å |
| 196 | G | 76.5 | Confident | 79.5 | Confident | 32 Ų | 32 | 86.3 Ų | 86.3 | 33% | 0.33 | 44% | 0.439 | S | S | . | . | G | 310 helix | trans | 46.1 | -128.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | C193 Q198 C199 H203 | C193-G196 PolarHBondContact O-N 3.37Å; C193-G196 VanDerWaalsContact O-N 3.11Å; G196-Q198 PolarHBondContact O-N 3.27Å; G196-C199 WeakPolarHBondContact O-CB 3.42Å; G196-C199 PolarHBondContact O-N 3.27Å; G196-H203 PolarHBondContact O-CE1 2.88Å; G196-H203 VanDerWaalsContact O-CE1 3.27Å |
| 197 | A | 70.1 | Confident | 79.7 | Confident | 87 Ų | 87 | 81.1 Ų | 81.1 | 72% | 0.719 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -62.7 | -19.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | R169 Y195 | R169-A197 PolarHBondContact NH1-O 2.76Å; Y195-A197 PolarHBondContact O-N 3.26Å |
| 198 | Q | 68.9 | Low | 79.7 | Confident | 173 Ų | 173 | 78.6 Ų | 78.6 | 81% | 0.808 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | -91.1 | 1.9 | -179.8 | -60 | 179.6 | -6.9 | 0 | 0 | 113.2 | Y195 G196 T200 | Y195-Q198 WeakPolarHBondContact O-CA 3.43Å; Y195-Q198 WeakPolarHBondContact O-CB 3.36Å; Y195-Q198 PolarHBondContact O-N 3.3Å; G196-Q198 PolarHBondContact O-N 3.27Å; Q198-T200 PolarHBondContact O-N 3.36Å |
| 199 | C | 77.3 | Confident | 79.8 | Confident | 9 Ų | 9 | 76.3 Ų | 76.3 | 6% | 0.061 | 41% | 0.405 | C | S | . | . | trans | -65 | 129.8 | 179.1 | -170 | 0 | 0 | 0 | 0 | 111.3 | R169 C193 Y195 G196 S201 H203 | R169-C199 PolarHBondContact NH1-O 3.12Å; R169-C199 PolarHBondContact NH2-O 3.3Å; C193-C199 VanDerWaalsContact SG-SG 3.68Å; Y195-C199 PolarHBondContact O-N 2.93Å; G196-C199 WeakPolarHBondContact O-CB 3.42Å; G196-C199 PolarHBondContact O-N 3.27Å; C199-S201 PolarHBondContact O-N 3.31Å; C199-S201 PolarHBondContact SG-O 3.38Å; C199-H203 VanDerWaalsContact CB-NE2 3.27Å; C199-H203 WeakPolarHBondContact CB-NE2 3.31Å | ||
| 200 | T | 79.4 | Confident | 80 | Confident | 100 Ų | 100 | 70.1 Ų | 70.1 | 61% | 0.613 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -77.3 | -6 | 179.1 | 50.5 | 0 | 0 | 0 | 0 | 113.9 | P172 Q198 | P172-T200 HydrophobicContact CB-CG2 4.4Å; P172-T200 WeakPolarHBondContact CG-O 3.1Å; Q198-T200 PolarHBondContact O-N 3.36Å |
| 201 | S | 85.1 | Confident | 80.3 | Confident | 25 Ų | 25 | 63.9 Ų | 63.9 | 18% | 0.175 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -111 | 147.1 | 176 | -59.4 | 0 | 0 | 0 | 0 | 110.8 | R169 T182 C199 | R169-S201 PolarHBondContact NH2-O 3.07Å; T182-S201 CarbonylContact O-C 3.53Å; T182-S201 VanDerWaalsContact O-CA 3.24Å; T182-S201 WeakPolarHBondContact O-CA 3.38Å; T182-S201 VanDerWaalsContact O-CB 3.27Å; T182-S201 WeakPolarHBondContact O-CB 3.31Å; T182-S201 PolarHBondContact OG1-OG 3.35Å; C199-S201 PolarHBondContact O-N 3.31Å; C199-S201 PolarHBondContact SG-O 3.38Å |
| 202 | A | 86.4 | Confident | 80.6 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 34% | 0.337 | C | S | . | . | B | Isolated β-bridge | trans | -71.7 | 137.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | T182 L183 C184 E207 L208 W211 | T182-A202 PolarHBondContact O-N 2.91Å; L183-A202 CarbonylContact C-O 3.51Å; L183-A202 WeakPolarHBondContact CA-O 3.36Å; L183-A202 HydrophobicContact CD2-CB 4.21Å; C184-A202 WeakPolarHBondContact CB-O 3.45Å; C184-A202 PolarHBondContact N-O 2.87Å; A202-E207 HydrophobicContact CB-CB 4.29Å; A202-E207 HydrophobicContact CB-CG 3.99Å; A202-L208 HydrophobicContact CB-CB 3.72Å; A202-L208 HydrophobicContact CB-CD1 4.29Å; A202-W211 HydrophobicContact CB-CE3 4.15Å; A202-W211 HydrophobicContact CB-CH2 4.37Å; A202-W211 HydrophobicContact CB-CZ3 4.01Å |
| 203 | H | 85.9 | Confident | 80.9 | Confident | 23 Ų | 23 | 64.8 Ų | 64.8 | 11% | 0.106 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -85.6 | -12.7 | -178.4 | -70.3 | 176.7 | 0 | 0 | 0 | 113.2 | F187 C193 G196 C199 E207 | F187-H203 HydrophobicContact CB-CB 4.26Å; F187-H203 HydrophobicContact CD1-CB 3.49Å; F187-H203 VanDerWaalsContact CD1-CB 3.49Å; F187-H203 AromaticContact CD1-CG 3.96Å; F187-H203 WeakPolarHBondContact CD1-O 3.46Å; F187-H203 HydrophobicContact CD2-CB 4.06Å; F187-H203 AromaticContact CD2-CE1 3.86Å; F187-H203 AromaticContact CD2-CG 3.63Å; F187-H203 AromaticContact CD2-ND1 3.51Å; F187-H203 HydrophobicContact CE1-CB 3.71Å; F187-H203 HydrophobicContact CE2-CB 4.27Å; F187-H203 AromaticContact CE2-ND1 3.66Å; F187-H203 HydrophobicContact CG-CB 3.66Å; F187-H203 AromaticContact CG-CD2 3.88Å; F187-H203 AromaticContact CG-CG 3.56Å; F187-H203 AromaticContact CG-ND1 3.96Å; F187-H203 HydrophobicContact CZ-CB 4.1Å; C193-H203 WeakPolarHBondContact CB-NE2 3.42Å; C193-H203 PolarHBondContact SG-NE2 3.2Å; G196-H203 PolarHBondContact O-CE1 2.88Å; G196-H203 VanDerWaalsContact O-CE1 3.27Å; C199-H203 VanDerWaalsContact CB-NE2 3.27Å; C199-H203 WeakPolarHBondContact CB-NE2 3.31Å; H203-E207 WeakPolarHBondContact CA-OE2 3.34Å; H203-E207 VanDerWaalsContact CB-OE2 3.27Å; H203-E207 WeakPolarHBondContact CB-OE2 3.39Å; H203-E207 PolarHBondContact N-OE2 3.36Å |
| 204 | S | 85.2 | Confident | 80.8 | Confident | 26 Ų | 26 | 66.6 Ų | 66.6 | 18% | 0.182 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -144.6 | 167.2 | 170.8 | 89.7 | 0 | 0 | 0 | 0 | 112.3 | L183 E206 E207 L208 | L183-S204 VanDerWaalsContact CD2-O 3.3Å; L183-S204 WeakPolarHBondContact CD2-O 3.35Å; S204-E206 VanDerWaalsContact C-N 3.29Å; S204-E206 WeakPolarHBondContact CB-OE2 3.47Å; S204-E206 PolarHBondContact OG-N 2.94Å; S204-E206 PolarHBondContact OG-OE2 3.43Å; S204-E207 PolarHBondContact N-OE2 2.9Å; S204-E207 PolarHBondContact O-N 2.87Å; S204-E207 PolarHBondContact OG-N 3.48Å; S204-E207 VanDerWaalsContact OG-N 3.14Å; S204-L208 PolarHBondContact O-N 2.99Å; S204-L208 VanDerWaalsContact O-N 3.12Å |
| 205 | Q | 87 | Confident | 81.1 | Confident | 107 Ų | 107 | 58.2 Ų | 58.2 | 50% | 0.5 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -67.5 | -34.3 | 177.2 | -172 | 61 | 42.4 | 0 | 0 | 111.5 | L208 A209 | Q205-L208 PolarHBondContact O-N 3.3Å; Q205-A209 WeakPolarHBondContact O-CB 3.28Å; Q205-A209 PolarHBondContact O-N 3.38Å |
| 206 | E | 86.3 | Confident | 81.7 | Confident | 114 Ų | 114 | 53.6 Ų | 53.6 | 53% | 0.533 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -68.4 | -40.6 | 177.8 | -55.8 | 72.3 | -153.8 | 0 | 0 | 110.9 | F168 S204 A209 E210 | F168-E206 HydrophobicContact CE1-CB 4.34Å; F168-E206 HydrophobicContact CE2-CB 3.72Å; F168-E206 HydrophobicContact CZ-CB 3.46Å; F168-E206 VanDerWaalsContact CZ-CB 3.46Å; S204-E206 VanDerWaalsContact C-N 3.29Å; S204-E206 WeakPolarHBondContact CB-OE2 3.47Å; S204-E206 PolarHBondContact OG-N 2.94Å; S204-E206 PolarHBondContact OG-OE2 3.43Å; E206-A209 PolarHBondContact O-N 3.49Å; E206-E210 WeakPolarHBondContact O-CB 3.36Å; E206-E210 PolarHBondContact O-N 3.23Å |
| 207 | E | 84 | Confident | 81.7 | Confident | 9 Ų | 9 | 54.2 Ų | 54.2 | 4% | 0.042 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.5 | -44.6 | 174.6 | 177.8 | 176.1 | -165 | 0 | 0 | 111.8 | F168 R169 A202 H203 S204 A209 E210 W211 | F168-E207 HydrophobicContact CB-CB 4.17Å; F168-E207 HydrophobicContact CB-CG 3.94Å; F168-E207 HydrophobicContact CD1-CB 3.7Å; F168-E207 HydrophobicContact CD1-CG 4.24Å; F168-E207 HydrophobicContact CE1-CB 4.22Å; F168-E207 HydrophobicContact CG-CB 3.87Å; F168-E207 HydrophobicContact CG-CG 4.21Å; R169-E207 WeakPolarHBondContact CD-OE1 3.39Å; R169-E207 WeakPolarHBondContact CG-OE1 3.39Å; R169-E207 IonicContact CZ-OE1 3.34Å; R169-E207 VanDerWaalsContact CZ-OE1 3.3Å; R169-E207 IonicContact NE-OE1 3.63Å; R169-E207 PolarHBondContact NE-OE1 3.4Å; R169-E207 IonicContact NH2-OE1 3.35Å; R169-E207 PolarHBondContact NH2-OE1 3.48Å; A202-E207 HydrophobicContact CB-CB 4.29Å; A202-E207 HydrophobicContact CB-CG 3.99Å; H203-E207 WeakPolarHBondContact CA-OE2 3.34Å; H203-E207 VanDerWaalsContact CB-OE2 3.27Å; H203-E207 WeakPolarHBondContact CB-OE2 3.39Å; H203-E207 PolarHBondContact N-OE2 3.36Å; S204-E207 PolarHBondContact N-OE2 2.9Å; S204-E207 PolarHBondContact O-N 2.87Å; S204-E207 PolarHBondContact OG-N 3.48Å; S204-E207 VanDerWaalsContact OG-N 3.14Å; E207-A209 PolarHBondContact O-N 3.37Å; E207-E210 PolarHBondContact O-N 3.28Å; E207-W211 HydrophobicContact CG-CD2 4.42Å; E207-W211 HydrophobicContact CG-CZ2 4.09Å; E207-W211 PolarHBondContact O-N 3.24Å; E207-W211 WeakPolarHBondContact OE1-CZ2 3.01Å |
| 208 | L | 86.1 | Confident | 81.8 | Confident | 14 Ų | 14 | 58.5 Ų | 58.5 | 7% | 0.073 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.8 | -46.2 | 176.8 | 179.4 | 58.3 | 0 | 0 | 0 | 111.6 | Y181 L183 A202 S204 Q205 E210 W211 Q212 | Y181-L208 HydrophobicContact CG-CD1 4.46Å; L183-L208 HydrophobicContact CD2-CB 3.94Å; L183-L208 HydrophobicContact CD2-CD2 3.83Å; L183-L208 HydrophobicContact CG-CD2 3.88Å; A202-L208 HydrophobicContact CB-CB 3.72Å; A202-L208 HydrophobicContact CB-CD1 4.29Å; S204-L208 PolarHBondContact O-N 2.99Å; S204-L208 VanDerWaalsContact O-N 3.12Å; Q205-L208 PolarHBondContact O-N 3.3Å; L208-E210 VanDerWaalsContact C-N 3.29Å; L208-E210 PolarHBondContact O-N 2.67Å; L208-W211 PolarHBondContact O-N 3.44Å; L208-Q212 HydrophobicContact CD1-CG 4.49Å; L208-Q212 WeakPolarHBondContact O-CG 3.27Å; L208-Q212 PolarHBondContact O-N 2.96Å |
| 209 | A | 84.9 | Confident | 82 | Confident | 48 Ų | 48 | 54.3 Ų | 54.3 | 40% | 0.397 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.5 | -37.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q205 E206 E207 K213 | Q205-A209 WeakPolarHBondContact O-CB 3.28Å; Q205-A209 PolarHBondContact O-N 3.38Å; E206-A209 PolarHBondContact O-N 3.49Å; E207-A209 PolarHBondContact O-N 3.37Å; A209-K213 VanDerWaalsContact O-CB 3.3Å; A209-K213 WeakPolarHBondContact O-CB 3.48Å; A209-K213 PolarHBondContact O-N 2.83Å |
| 210 | E | 85.3 | Confident | 81.9 | Confident | 18 Ų | 18 | 58.6 Ų | 58.6 | 8% | 0.084 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.7 | -41.9 | 175.9 | -166.7 | 175.4 | 96.1 | 0 | 0 | 111.8 | W166 H167 F168 E206 E207 L208 Q212 K213 R214 | W166-E210 WeakPolarHBondContact CA-OE2 3.43Å; W166-E210 HydrophobicContact CD2-CG 4.43Å; W166-E210 HydrophobicContact CE3-CG 3.53Å; W166-E210 HydrophobicContact CZ3-CG 4.01Å; H167-E210 PolarHBondContact N-OE1 3.25Å; H167-E210 PolarHBondContact N-OE2 2.92Å; F168-E210 WeakPolarHBondContact CB-OE1 3.33Å; F168-E210 HydrophobicContact CD2-CB 4.01Å; F168-E210 HydrophobicContact CD2-CG 4.43Å; F168-E210 PolarHBondContact N-OE1 3.41Å; E206-E210 WeakPolarHBondContact O-CB 3.36Å; E206-E210 PolarHBondContact O-N 3.23Å; E207-E210 PolarHBondContact O-N 3.28Å; L208-E210 VanDerWaalsContact C-N 3.29Å; L208-E210 PolarHBondContact O-N 2.67Å; E210-Q212 PolarHBondContact O-N 2.78Å; E210-K213 PolarHBondContact O-N 3.49Å; E210-R214 WeakPolarHBondContact O-CB 3.19Å; E210-R214 WeakPolarHBondContact O-CG 3.42Å; E210-R214 PolarHBondContact O-N 2.85Å; E210-R214 IonicContact OE1-CZ 3.85Å; E210-R214 IonicContact OE1-NE 3.27Å; E210-R214 PolarHBondContact OE1-NE 3.5Å; E210-R214 IonicContact OE1-NH2 2.71Å; E210-R214 PolarHBondContact OE1-NH2 3.33Å |
| 211 | W | 85.2 | Confident | 81.3 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.1 | -45.6 | 175.6 | -71.8 | 5 | 0 | 0 | 0 | 112.2 | R169 P171 P172 Y181 A202 E207 L208 K213 R214 Y215 | R169-W211 HydrophobicContact CG-CZ2 4.05Å; R169-W211 PolarHBondContact O-NE1 3.2Å; P171-W211 HydrophobicContact CB-CB 3.99Å; P171-W211 HydrophobicContact CB-CD2 3.85Å; P171-W211 HydrophobicContact CB-CE3 4.32Å; P171-W211 HydrophobicContact CB-CG 3.69Å; P171-W211 HydrophobicContact CG-CG 4.47Å; P172-W211 HydrophobicContact CG-CH2 4Å; P172-W211 HydrophobicContact CG-CZ3 3.93Å; Y181-W211 AromaticContact CD1-CE3 3.62Å; Y181-W211 HydrophobicContact CD1-CE3 3.62Å; Y181-W211 HydrophobicContact CD1-CZ3 4.26Å; Y181-W211 HydrophobicContact CE1-CE3 4.07Å; Y181-W211 HydrophobicContact CG-CE3 4.33Å; A202-W211 HydrophobicContact CB-CE3 4.15Å; A202-W211 HydrophobicContact CB-CH2 4.37Å; A202-W211 HydrophobicContact CB-CZ3 4.01Å; E207-W211 HydrophobicContact CG-CD2 4.42Å; E207-W211 HydrophobicContact CG-CZ2 4.09Å; E207-W211 PolarHBondContact O-N 3.24Å; E207-W211 WeakPolarHBondContact OE1-CZ2 3.01Å; L208-W211 PolarHBondContact O-N 3.44Å; W211-K213 PolarHBondContact O-N 3.3Å; W211-R214 PolarHBondContact O-N 3.27Å; W211-Y215 PolarHBondContact O-N 2.95Å |
| 212 | Q | 83.1 | Confident | 80.3 | Confident | 65 Ų | 65 | 62.8 Ų | 62.8 | 30% | 0.304 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.1 | -41.6 | 176 | -68.6 | 178.5 | -29.8 | 0 | 0 | 111.6 | S178 Y181 L208 E210 Y215 A216 | S178-Q212 PolarHBondContact O-NE2 3.5Å; S178-Q212 WeakPolarHBondContact OG-CG 3.3Å; Y181-Q212 HydrophobicContact CD2-CG 4.13Å; L208-Q212 HydrophobicContact CD1-CG 4.49Å; L208-Q212 WeakPolarHBondContact O-CG 3.27Å; L208-Q212 PolarHBondContact O-N 2.96Å; E210-Q212 PolarHBondContact O-N 2.78Å; Q212-Y215 PolarHBondContact O-N 3.27Å; Q212-A216 PolarHBondContact O-N 2.83Å |
| 213 | K | 81.8 | Confident | 79.4 | Confident | 129 Ų | 129 | 69.3 Ų | 69.3 | 56% | 0.561 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -65.1 | -38.8 | 176.4 | -173.4 | 175.4 | 172.3 | -172.3 | 0 | 112.4 | W166 A209 E210 W211 S217 | W166-K213 HydrophobicContact CH2-CD 3.99Å; W166-K213 HydrophobicContact CH2-CG 3.96Å; W166-K213 HydrophobicContact CZ3-CD 3.85Å; W166-K213 HydrophobicContact CZ3-CG 4.15Å; A209-K213 VanDerWaalsContact O-CB 3.3Å; A209-K213 WeakPolarHBondContact O-CB 3.48Å; A209-K213 PolarHBondContact O-N 2.83Å; E210-K213 PolarHBondContact O-N 3.49Å; W211-K213 PolarHBondContact O-N 3.3Å; K213-S217 WeakPolarHBondContact O-CB 3.25Å; K213-S217 PolarHBondContact O-N 2.92Å; K213-S217 PolarHBondContact O-OG 2.56Å |
| 214 | R | 80.5 | Confident | 78.4 | Confident | 55 Ų | 55 | 73.1 Ų | 73.1 | 21% | 0.208 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.1 | -42.1 | 173.3 | -72.9 | -175.7 | -165.7 | -160.9 | 17.6 | 111.3 | W166 F168 E210 W211 S217 R218 | W166-R214 HydrophobicContact CD2-CG 4.11Å; W166-R214 HydrophobicContact CE3-CG 4.31Å; W166-R214 HydrophobicContact CH2-CG 4.4Å; W166-R214 HydrophobicContact CZ2-CG 4.22Å; W166-R214 HydrophobicContact CZ3-CG 4.44Å; F168-R214 PolarHBondContact O-NH2 3.17Å; E210-R214 WeakPolarHBondContact O-CB 3.19Å; E210-R214 WeakPolarHBondContact O-CG 3.42Å; E210-R214 PolarHBondContact O-N 2.85Å; E210-R214 IonicContact OE1-CZ 3.85Å; E210-R214 IonicContact OE1-NE 3.27Å; E210-R214 PolarHBondContact OE1-NE 3.5Å; E210-R214 IonicContact OE1-NH2 2.71Å; E210-R214 PolarHBondContact OE1-NH2 3.33Å; W211-R214 PolarHBondContact O-N 3.27Å; R214-S217 PolarHBondContact O-N 2.91Å; R214-R218 PolarHBondContact O-N 3.05Å |
| 215 | Y | 77.9 | Confident | 76.7 | Confident | 47 Ų | 47 | 77.8 Ų | 77.8 | 18% | 0.184 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.5 | -47.5 | 176.1 | 179.5 | -89.9 | 0 | 0 | 0 | 112 | T176 Y181 W211 Q212 S217 R218 L219 | T176-Y215 PolarHBondContact O-OH 2.85Å; Y181-Y215 HydrophobicContact CE2-CD2 4.45Å; Y181-Y215 HydrophobicContact CE2-CG 4.42Å; W211-Y215 PolarHBondContact O-N 2.95Å; Q212-Y215 PolarHBondContact O-N 3.27Å; Y215-S217 VanDerWaalsContact C-N 3.33Å; Y215-S217 PolarHBondContact O-N 3Å; Y215-R218 WeakPolarHBondContact O-CB 3.28Å; Y215-R218 PolarHBondContact O-N 3.13Å; Y215-R218 VanDerWaalsContact O-N 3.14Å; Y215-L219 HydrophobicContact CD1-CD1 3.95Å; Y215-L219 HydrophobicContact CD1-CG 4.4Å; Y215-L219 HydrophobicContact CE1-CD1 3.28Å; Y215-L219 HydrophobicContact CE1-CG 3.94Å; Y215-L219 PolarHBondContact O-N 2.52Å |
| 216 | A | 79.3 | Confident | 75.2 | Confident | 45 Ų | 45 | 78.2 Ų | 78.2 | 37% | 0.372 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.1 | -42.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q212 R218 L219 I220 | Q212-A216 PolarHBondContact O-N 2.83Å; A216-R218 VanDerWaalsContact C-N 3.31Å; A216-R218 PolarHBondContact O-N 2.77Å; A216-L219 PolarHBondContact O-N 3.05Å; A216-I220 VanDerWaalsContact O-CG1 3.31Å; A216-I220 WeakPolarHBondContact O-CG1 3.27Å; A216-I220 PolarHBondContact O-N 3.21Å |
| 217 | S | 75.7 | Confident | 73.7 | Confident | 45 Ų | 45 | 77 Ų | 77 | 32% | 0.315 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.5 | -38.2 | 176 | -57.2 | 0 | 0 | 0 | 0 | 112 | K213 R214 Y215 K221 | K213-S217 WeakPolarHBondContact O-CB 3.25Å; K213-S217 PolarHBondContact O-N 2.92Å; K213-S217 PolarHBondContact O-OG 2.56Å; R214-S217 PolarHBondContact O-N 2.91Å; Y215-S217 VanDerWaalsContact C-N 3.33Å; Y215-S217 PolarHBondContact O-N 3Å; S217-K221 WeakPolarHBondContact O-CG 3.3Å; S217-K221 PolarHBondContact O-N 2.74Å |
| 218 | R | 72.2 | Confident | 71.8 | Confident | 177 Ų | 177 | 81.9 Ų | 81.9 | 67% | 0.668 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -63.5 | -46 | 174.7 | -172.9 | -179.4 | -171.1 | 158.2 | 4.6 | 111.5 | R214 Y215 A216 K221 L222 | R214-R218 PolarHBondContact O-N 3.05Å; Y215-R218 WeakPolarHBondContact O-CB 3.28Å; Y215-R218 PolarHBondContact O-N 3.13Å; Y215-R218 VanDerWaalsContact O-N 3.14Å; A216-R218 VanDerWaalsContact C-N 3.31Å; A216-R218 PolarHBondContact O-N 2.77Å; R218-K221 PolarHBondContact O-N 3.45Å; R218-L222 WeakPolarHBondContact O-CB 3.25Å; R218-L222 PolarHBondContact O-N 3.23Å |
| 219 | L | 73.9 | Confident | 70 | Confident | 85 Ų | 85 | 87.9 Ų | 87.9 | 45% | 0.445 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63 | -41.6 | 177.9 | -73.8 | 179.9 | 0 | 0 | 0 | 112.6 | Y215 A216 L222 K223 | Y215-L219 HydrophobicContact CD1-CD1 3.95Å; Y215-L219 HydrophobicContact CD1-CG 4.4Å; Y215-L219 HydrophobicContact CE1-CD1 3.28Å; Y215-L219 HydrophobicContact CE1-CG 3.94Å; Y215-L219 PolarHBondContact O-N 2.52Å; A216-L219 PolarHBondContact O-N 3.05Å; L219-L222 PolarHBondContact O-N 3.2Å; L219-K223 WeakPolarHBondContact O-CB 3.49Å; L219-K223 PolarHBondContact O-N 2.9Å |
| 220 | I | 74.6 | Confident | 68.2 | Low | 98 Ų | 98 | 92.9 Ų | 92.9 | 50% | 0.503 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.4 | -45.2 | 176.7 | -66.9 | 166.1 | 0 | 0 | 0 | 110.5 | A216 L222 K223 Q224 | A216-I220 VanDerWaalsContact O-CG1 3.31Å; A216-I220 WeakPolarHBondContact O-CG1 3.27Å; A216-I220 PolarHBondContact O-N 3.21Å; I220-L222 VanDerWaalsContact C-N 3.34Å; I220-L222 PolarHBondContact O-N 3.35Å; I220-K223 PolarHBondContact O-N 3.49Å; I220-Q224 HydrophobicContact CG2-CG 4.43Å; I220-Q224 WeakPolarHBondContact O-CB 3.02Å; I220-Q224 VanDerWaalsContact O-CG 3.3Å; I220-Q224 WeakPolarHBondContact O-CG 3.31Å; I220-Q224 PolarHBondContact O-N 2.92Å |
| 221 | K | 66.4 | Low | 66.1 | Low | 110 Ų | 110 | 99.2 Ų | 99.2 | 48% | 0.478 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62 | -40.4 | 174.6 | -76.6 | -175.7 | 177 | -170.4 | 0 | 112.2 | S217 R218 Q224 Q225 | S217-K221 WeakPolarHBondContact O-CG 3.3Å; S217-K221 PolarHBondContact O-N 2.74Å; R218-K221 PolarHBondContact O-N 3.45Å; K221-Q224 PolarHBondContact O-N 2.95Å; K221-Q225 WeakPolarHBondContact O-CB 3.24Å; K221-Q225 PolarHBondContact O-N 3.37Å |
| 222 | L | 64.9 | Low | 64.1 | Low | 103 Ų | 103 | 103.7 Ų | 103.7 | 54% | 0.539 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.8 | -44.4 | 178 | -148.2 | 89.8 | 0 | 0 | 0 | 110.8 | R218 L219 I220 Q225 N226 | R218-L222 WeakPolarHBondContact O-CB 3.25Å; R218-L222 PolarHBondContact O-N 3.23Å; L219-L222 PolarHBondContact O-N 3.2Å; I220-L222 VanDerWaalsContact C-N 3.34Å; I220-L222 PolarHBondContact O-N 3.35Å; L222-Q225 PolarHBondContact O-N 3.09Å; L222-N226 WeakPolarHBondContact O-CB 3.4Å; L222-N226 PolarHBondContact O-N 3.27Å |
| 223 | K | 68.1 | Low | 62.7 | Low | 137 Ų | 137 | 102 Ų | 102 | 60% | 0.596 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.7 | -45.8 | 176.1 | -172.4 | 174.9 | 176.6 | 179.5 | 0 | 111.5 | L219 I220 Q225 N226 E227 | L219-K223 WeakPolarHBondContact O-CB 3.49Å; L219-K223 PolarHBondContact O-N 2.9Å; I220-K223 PolarHBondContact O-N 3.49Å; K223-Q225 PolarHBondContact O-N 3.22Å; K223-N226 PolarHBondContact O-N 3.41Å; K223-E227 WeakPolarHBondContact CE-OE1 3.24Å; K223-E227 WeakPolarHBondContact CG-OE1 3.49Å; K223-E227 WeakPolarHBondContact O-CB 3.11Å; K223-E227 VanDerWaalsContact O-CG 3.31Å; K223-E227 WeakPolarHBondContact O-CG 3.28Å; K223-E227 PolarHBondContact O-N 2.74Å |
| 224 | Q | 63.2 | Low | 62.2 | Low | 104 Ų | 104 | 97.5 Ų | 97.5 | 49% | 0.486 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.9 | -36.1 | 176.2 | -74.6 | 175.1 | -1 | 0 | 0 | 112.9 | I220 K221 N228 | I220-Q224 HydrophobicContact CG2-CG 4.43Å; I220-Q224 WeakPolarHBondContact O-CB 3.02Å; I220-Q224 VanDerWaalsContact O-CG 3.3Å; I220-Q224 WeakPolarHBondContact O-CG 3.31Å; I220-Q224 PolarHBondContact O-N 2.92Å; K221-Q224 PolarHBondContact O-N 2.95Å; Q224-N228 WeakPolarHBondContact O-CB 3.28Å; Q224-N228 PolarHBondContact O-N 3.02Å; Q224-N228 PolarHBondContact O-ND2 3.43Å |
| 225 | Q | 51.3 | Low | 62.3 | Low | 123 Ų | 123 | 97.3 Ų | 97.3 | 58% | 0.575 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -67.5 | -37.9 | 172.4 | -87.2 | -171.6 | -9 | 0 | 0 | 112.1 | K221 L222 K223 K229 | K221-Q225 WeakPolarHBondContact O-CB 3.24Å; K221-Q225 PolarHBondContact O-N 3.37Å; L222-Q225 PolarHBondContact O-N 3.09Å; K223-Q225 PolarHBondContact O-N 3.22Å; Q225-K229 WeakPolarHBondContact O-CB 3.29Å; Q225-K229 WeakPolarHBondContact O-CG 3.39Å; Q225-K229 PolarHBondContact O-N 3.11Å |
| 226 | N | 54.9 | Low | 62.5 | Low | 116 Ų | 116 | 95.6 Ų | 95.6 | 62% | 0.62 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -68.7 | -42.2 | 177.7 | -144.5 | 30.5 | 0 | 0 | 0 | 111.2 | L222 K223 K229 Q230 | L222-N226 WeakPolarHBondContact O-CB 3.4Å; L222-N226 PolarHBondContact O-N 3.27Å; K223-N226 PolarHBondContact O-N 3.41Å; N226-K229 PolarHBondContact O-N 3.32Å; N226-Q230 PolarHBondContact O-N 2.82Å; N226-Q230 VanDerWaalsContact O-N 3.07Å |
| 227 | E | 53.5 | Low | 62.4 | Low | 90 Ų | 90 | 98.4 Ų | 98.4 | 42% | 0.421 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.7 | -41.6 | 174.1 | -71.5 | 169.4 | 177 | 0 | 0 | 111.5 | K223 Q230 L231 | K223-E227 WeakPolarHBondContact CE-OE1 3.24Å; K223-E227 WeakPolarHBondContact CG-OE1 3.49Å; K223-E227 WeakPolarHBondContact O-CB 3.11Å; K223-E227 VanDerWaalsContact O-CG 3.31Å; K223-E227 WeakPolarHBondContact O-CG 3.28Å; K223-E227 PolarHBondContact O-N 2.74Å; E227-Q230 PolarHBondContact O-N 3.47Å; E227-L231 WeakPolarHBondContact O-CD1 3.46Å; E227-L231 PolarHBondContact O-N 3.02Å |
| 228 | N | 45.4 | Very low | 62.7 | Low | 111 Ų | 111 | 99.6 Ų | 99.6 | 59% | 0.594 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -70.7 | -28.8 | 176.1 | -76.6 | -12.1 | 0 | 0 | 0 | 113.6 | Q224 | Q224-N228 WeakPolarHBondContact O-CB 3.28Å; Q224-N228 PolarHBondContact O-N 3.02Å; Q224-N228 PolarHBondContact O-ND2 3.43Å |
| 229 | K | 48.7 | Very low | 63.2 | Low | 139 Ų | 139 | 91.6 Ų | 91.6 | 60% | 0.604 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -70.5 | -38.6 | 171.3 | -81.7 | 179.9 | 179.2 | -178.9 | 0 | 111.8 | Q225 N226 L231 S232 G233 | Q225-K229 WeakPolarHBondContact O-CB 3.29Å; Q225-K229 WeakPolarHBondContact O-CG 3.39Å; Q225-K229 PolarHBondContact O-N 3.11Å; N226-K229 PolarHBondContact O-N 3.32Å; K229-L231 PolarHBondContact O-N 2.98Å; K229-S232 PolarHBondContact O-N 3.35Å; K229-S232 VanDerWaalsContact O-N 3.12Å; K229-G233 PolarHBondContact O-N 2.87Å |
| 230 | Q | 45.6 | Very low | 63.5 | Low | 154 Ų | 154 | 89.6 Ų | 89.6 | 72% | 0.72 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -62.6 | -27.9 | 175 | -108.3 | -173.6 | -1.4 | 0 | 0 | 113.5 | N226 E227 | N226-Q230 PolarHBondContact O-N 2.82Å; N226-Q230 VanDerWaalsContact O-N 3.07Å; E227-Q230 PolarHBondContact O-N 3.47Å |
| 231 | L | 42.3 | Very low | 63.5 | Low | 150 Ų | 150 | 89.6 Ų | 89.6 | 79% | 0.785 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -8.3 | 176.5 | -79.6 | 149.8 | 0 | 0 | 0 | 114.1 | E227 K229 | E227-L231 WeakPolarHBondContact O-CD1 3.46Å; E227-L231 PolarHBondContact O-N 3.02Å; K229-L231 PolarHBondContact O-N 2.98Å |
| 232 | S | 42.2 | Very low | 64.1 | Low | 94 Ų | 94 | 88.9 Ų | 88.9 | 66% | 0.657 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -126.1 | 10.8 | -172.8 | -176 | 0 | 0 | 0 | 0 | 114.1 | K229 | K229-S232 PolarHBondContact O-N 3.35Å; K229-S232 VanDerWaalsContact O-N 3.12Å |
| 233 | G | 54.5 | Low | 64.8 | Low | 30 Ų | 30 | 85.6 Ų | 85.6 | 31% | 0.309 | 43% | 0.431 | S | S | . | . | trans | -74.2 | 135.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | K229 E237 | K229-G233 PolarHBondContact O-N 2.87Å; G233-E237 WeakPolarHBondContact CA-OE2 3.33Å | ||
| 234 | S | 70.6 | Confident | 64.9 | Low | 35 Ų | 35 | 84 Ų | 84 | 25% | 0.245 | 43% | 0.427 | C | S | . | . | trans | -60.6 | 150.7 | 166.7 | 67.3 | 0 | 0 | 0 | 0 | 109.8 | M236 E237 T238 | S234-M236 PolarHBondContact O-N 3.42Å; S234-E237 PolarHBondContact N-OE2 3.37Å; S234-E237 WeakPolarHBondContact O-CB 3.45Å; S234-E237 PolarHBondContact O-N 3.4Å; S234-E237 VanDerWaalsContact OG-CG 3.27Å; S234-E237 WeakPolarHBondContact OG-CG 3.26Å; S234-E237 PolarHBondContact OG-N 3.27Å; S234-E237 PolarHBondContact OG-OE1 3.01Å; S234-T238 PolarHBondContact O-N 2.98Å; S234-T238 PolarHBondContact O-OG1 2.93Å | ||
| 235 | Y | 82.3 | Confident | 65.3 | Low | 50 Ų | 50 | 84.5 Ų | 84.5 | 20% | 0.196 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -49.8 | -37.3 | 178 | 164.4 | -104.6 | 0 | 0 | 0 | 111.8 | L239 R295 A297 D368 | Y235-L239 HydrophobicContact CE1-CD2 4.14Å; Y235-L239 VanDerWaalsContact O-CB 3.27Å; Y235-L239 WeakPolarHBondContact O-CB 3.48Å; Y235-L239 PolarHBondContact O-N 2.77Å; Y235-R295 HydrophobicContact CE1-CB 4.48Å; Y235-A297 HydrophobicContact CD1-CB 4.34Å; Y235-A297 HydrophobicContact CE1-CB 4.28Å; Y235-D368 WeakPolarHBondContact OH-CB 3.2Å; Y235-D368 PolarHBondContact OH-OD2 3.34Å |
| 236 | M | 82.8 | Confident | 66.3 | Low | 12 Ų | 12 | 79.8 Ų | 79.8 | 6% | 0.059 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -65.3 | -45.9 | 177 | -57.7 | 179.3 | -62.1 | 0 | 0 | 112.1 | S234 L239 I240 A297 | S234-M236 PolarHBondContact O-N 3.42Å; M236-L239 PolarHBondContact O-N 3.14Å; M236-I240 WeakPolarHBondContact O-CB 3.44Å; M236-I240 WeakPolarHBondContact O-CD1 3.44Å; M236-I240 WeakPolarHBondContact O-CG1 3.29Å; M236-I240 PolarHBondContact O-N 2.95Å; M236-A297 HydrophobicContact CG-CB 4.05Å; M236-A297 HydrophobicContact SD-CB 4.22Å |
| 237 | E | 77.5 | Confident | 66.8 | Low | 103 Ų | 103 | 80 Ų | 80 | 48% | 0.481 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.1 | -45.7 | 175.8 | -75.8 | 154.6 | -135.4 | 0 | 0 | 111.7 | G233 S234 L239 I240 E241 | G233-E237 WeakPolarHBondContact CA-OE2 3.33Å; S234-E237 PolarHBondContact N-OE2 3.37Å; S234-E237 WeakPolarHBondContact O-CB 3.45Å; S234-E237 PolarHBondContact O-N 3.4Å; S234-E237 VanDerWaalsContact OG-CG 3.27Å; S234-E237 WeakPolarHBondContact OG-CG 3.26Å; S234-E237 PolarHBondContact OG-N 3.27Å; S234-E237 PolarHBondContact OG-OE1 3.01Å; E237-L239 VanDerWaalsContact C-N 3.31Å; E237-L239 PolarHBondContact O-N 3.27Å; E237-I240 PolarHBondContact O-N 2.96Å; E237-E241 VanDerWaalsContact O-CB 3.28Å; E237-E241 WeakPolarHBondContact O-CB 3.48Å; E237-E241 PolarHBondContact O-N 3.27Å |
| 238 | T | 82.8 | Confident | 67.6 | Low | 70 Ų | 70 | 77.1 Ų | 77.1 | 43% | 0.429 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63 | -40.1 | 177.6 | -51 | 0 | 0 | 0 | 0 | 111.4 | S234 K242 | S234-T238 PolarHBondContact O-N 2.98Å; S234-T238 PolarHBondContact O-OG1 2.93Å; T238-K242 WeakPolarHBondContact O-CB 3.1Å; T238-K242 PolarHBondContact O-N 3.04Å |
| 239 | L | 81.6 | Confident | 68.8 | Low | 10 Ų | 10 | 71.9 Ų | 71.9 | 5% | 0.052 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -68.5 | -41 | 178 | -173.2 | 62.3 | 0 | 0 | 0 | 111.9 | Y235 M236 E237 W243 V252 L253 L299 V366 V374 | Y235-L239 HydrophobicContact CE1-CD2 4.14Å; Y235-L239 VanDerWaalsContact O-CB 3.27Å; Y235-L239 WeakPolarHBondContact O-CB 3.48Å; Y235-L239 PolarHBondContact O-N 2.77Å; M236-L239 PolarHBondContact O-N 3.14Å; E237-L239 VanDerWaalsContact C-N 3.31Å; E237-L239 PolarHBondContact O-N 3.27Å; L239-W243 VanDerWaalsContact O-CB 3.22Å; L239-W243 WeakPolarHBondContact O-CB 3.4Å; L239-W243 PolarHBondContact O-N 3.45Å; L239-V252 HydrophobicContact CD1-CG1 3.9Å; L239-L253 HydrophobicContact CD1-CD2 4.19Å; L239-L253 HydrophobicContact CD2-CD2 3.9Å; L239-L253 HydrophobicContact CG-CD2 4.12Å; L239-L299 HydrophobicContact CD2-CD1 4.18Å; L239-V366 HydrophobicContact CD2-CG1 3.75Å; L239-V374 HydrophobicContact CD1-CG2 4.17Å |
| 240 | I | 79.6 | Confident | 70 | Confident | 42 Ų | 42 | 68.7 Ų | 68.7 | 22% | 0.215 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63.4 | -48.1 | 174.5 | -70.2 | 164.8 | 0 | 0 | 0 | 110.2 | M236 E237 K242 W243 M244 L299 | M236-I240 WeakPolarHBondContact O-CB 3.44Å; M236-I240 WeakPolarHBondContact O-CD1 3.44Å; M236-I240 WeakPolarHBondContact O-CG1 3.29Å; M236-I240 PolarHBondContact O-N 2.95Å; E237-I240 PolarHBondContact O-N 2.96Å; I240-K242 PolarHBondContact O-N 3.48Å; I240-W243 PolarHBondContact O-N 3.42Å; I240-M244 HydrophobicContact CG2-CG 4.12Å; I240-M244 HydrophobicContact CG2-SD 3.66Å; I240-M244 VanDerWaalsContact O-CB 3.3Å; I240-M244 WeakPolarHBondContact O-CB 3.5Å; I240-M244 VanDerWaalsContact O-CG 3.27Å; I240-M244 WeakPolarHBondContact O-CG 3.26Å; I240-M244 PolarHBondContact O-N 3.4Å; I240-L299 HydrophobicContact CD1-CD1 4.15Å; I240-L299 HydrophobicContact CD1-CG 4.19Å; I240-L299 WeakPolarHBondContact CD1-O 3.4Å; I240-L299 HydrophobicContact CG1-CD1 3.68Å; I240-L299 HydrophobicContact CG1-CD2 4.48Å; I240-L299 HydrophobicContact CG1-CG 3.93Å |
| 241 | E | 74.9 | Confident | 71.6 | Confident | 99 Ų | 99 | 67.7 Ų | 67.7 | 46% | 0.463 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.5 | -46.7 | 179.3 | -175.4 | 179.7 | -172.2 | 0 | 0 | 110.7 | E237 W243 M244 N245 | E237-E241 VanDerWaalsContact O-CB 3.28Å; E237-E241 WeakPolarHBondContact O-CB 3.48Å; E237-E241 PolarHBondContact O-N 3.27Å; E241-W243 VanDerWaalsContact C-N 3.34Å; E241-W243 PolarHBondContact O-N 3.47Å; E241-M244 PolarHBondContact O-N 2.95Å; E241-N245 WeakPolarHBondContact CG-ND2 3.43Å; E241-N245 VanDerWaalsContact O-CB 3.25Å; E241-N245 WeakPolarHBondContact O-CB 3.21Å; E241-N245 VanDerWaalsContact O-CG 3.3Å; E241-N245 PolarHBondContact O-N 3.41Å; E241-N245 PolarHBondContact O-ND2 3.49Å |
| 242 | K | 80.2 | Confident | 73.5 | Confident | 95 Ų | 95 | 60.8 Ų | 60.8 | 41% | 0.413 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.2 | -42.5 | 176.2 | -173.1 | 173.2 | -178.7 | 175.7 | 0 | 111.8 | T238 I240 S246 V252 E372 | T238-K242 WeakPolarHBondContact O-CB 3.1Å; T238-K242 PolarHBondContact O-N 3.04Å; I240-K242 PolarHBondContact O-N 3.48Å; K242-S246 WeakPolarHBondContact O-CB 3.49Å; K242-S246 PolarHBondContact O-N 3.32Å; K242-V252 HydrophobicContact CB-CG1 4.36Å; K242-V252 HydrophobicContact CD-CG1 4.28Å; K242-V252 HydrophobicContact CG-CG1 4.03Å; K242-V252 HydrophobicContact CG-CG2 4.17Å; K242-E372 WeakPolarHBondContact CE-OE1 3.36Å; K242-E372 WeakPolarHBondContact CE-OE2 3.38Å; K242-E372 IonicContact NZ-OE1 3.9Å; K242-E372 PolarHBondContact NZ-OE1 3.2Å; K242-E372 IonicContact NZ-OE2 2.9Å; K242-E372 PolarHBondContact NZ-OE2 2.82Å |
| 243 | W | 78.3 | Confident | 75.5 | Confident | 34 Ų | 34 | 56.6 Ų | 56.6 | 13% | 0.129 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.8 | -40.5 | 177.7 | 179 | 73.4 | 0 | 0 | 0 | 112.4 | L239 I240 E241 P249 V252 L253 R431 | L239-W243 VanDerWaalsContact O-CB 3.22Å; L239-W243 WeakPolarHBondContact O-CB 3.4Å; L239-W243 PolarHBondContact O-N 3.45Å; I240-W243 PolarHBondContact O-N 3.42Å; E241-W243 VanDerWaalsContact C-N 3.34Å; E241-W243 PolarHBondContact O-N 3.47Å; W243-P249 HydrophobicContact CG-CB 4.49Å; W243-V252 HydrophobicContact CB-CB 4.41Å; W243-V252 HydrophobicContact CB-CG1 4.01Å; W243-L253 HydrophobicContact CB-CD1 4.15Å; W243-L253 HydrophobicContact CB-CG 4.43Å; W243-L253 HydrophobicContact CD2-CD1 4.04Å; W243-L253 HydrophobicContact CG-CD1 3.71Å; W243-L253 HydrophobicContact CG-CG 4.13Å; W243-R431 HydrophobicContact CH2-CG 4.27Å; W243-R431 HydrophobicContact CZ2-CB 4.47Å; W243-R431 HydrophobicContact CZ2-CG 3.87Å |
| 244 | M | 70.9 | Confident | 76.9 | Confident | 102 Ų | 102 | 56.5 Ų | 56.5 | 50% | 0.502 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -69.4 | -36.8 | 179.2 | -77.2 | -176.4 | 54.6 | 0 | 0 | 113 | I240 E241 R431 | I240-M244 HydrophobicContact CG2-CG 4.12Å; I240-M244 HydrophobicContact CG2-SD 3.66Å; I240-M244 VanDerWaalsContact O-CB 3.3Å; I240-M244 WeakPolarHBondContact O-CB 3.5Å; I240-M244 VanDerWaalsContact O-CG 3.27Å; I240-M244 WeakPolarHBondContact O-CG 3.26Å; I240-M244 PolarHBondContact O-N 3.4Å; E241-M244 PolarHBondContact O-N 2.95Å; M244-R431 PolarHBondContact O-NH1 3.12Å |
| 245 | N | 71.4 | Confident | 77.4 | Confident | 115 Ų | 115 | 59 Ų | 59 | 62% | 0.615 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -92.3 | -11.1 | -176.4 | -65.5 | -30.5 | 0 | 0 | 0 | 113.4 | E241 | E241-N245 WeakPolarHBondContact CG-ND2 3.43Å; E241-N245 VanDerWaalsContact O-CB 3.25Å; E241-N245 WeakPolarHBondContact O-CB 3.21Å; E241-N245 VanDerWaalsContact O-CG 3.3Å; E241-N245 PolarHBondContact O-N 3.41Å; E241-N245 PolarHBondContact O-ND2 3.49Å |
| 246 | S | 73.3 | Confident | 77.4 | Confident | 24 Ų | 24 | 61.1 Ų | 61.1 | 17% | 0.168 | 31% | 0.314 | C | S | . | . | trans | -72.6 | 136 | 176.6 | -179.7 | 0 | 0 | 0 | 0 | 111.6 | K242 S248 | K242-S246 WeakPolarHBondContact O-CB 3.49Å; K242-S246 PolarHBondContact O-N 3.32Å; S246-S248 PolarHBondContact O-N 3.48Å; S246-S248 VanDerWaalsContact OG-C 3.23Å; S246-S248 PolarHBondContact OG-N 2.9Å; S246-S248 VanDerWaalsContact OG-N 3.08Å; S246-S248 PolarHBondContact OG-O 3.43Å | ||
| 247 | L | 64.8 | Low | 77.6 | Confident | 120 Ų | 120 | 61.3 Ų | 61.3 | 63% | 0.628 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -73.5 | -13.4 | 169.9 | -63.1 | 175.4 | 0 | 0 | 0 | 112.7 | S427 | L247-S427 WeakPolarHBondContact O-CB 3.3Š|
| 248 | S | 69.8 | Low | 77.9 | Confident | 31 Ų | 31 | 64.7 Ų | 64.7 | 22% | 0.217 | 33% | 0.331 | C | S | . | . | trans | -130.4 | 77.4 | 174.3 | 48.8 | 0 | 0 | 0 | 0 | 109.7 | S246 E250 K251 | S246-S248 PolarHBondContact O-N 3.48Å; S246-S248 VanDerWaalsContact OG-C 3.23Å; S246-S248 PolarHBondContact OG-N 2.9Å; S246-S248 VanDerWaalsContact OG-N 3.08Å; S246-S248 PolarHBondContact OG-O 3.43Å; S248-E250 PolarHBondContact O-N 2.84Å; S248-K251 WeakPolarHBondContact O-CB 3.45Å; S248-K251 PolarHBondContact O-N 3.37Å; S248-K251 VanDerWaalsContact O-N 3.09Å; S248-K251 WeakPolarHBondContact OG-CD 3.49Å | ||
| 249 | P | 70.8 | Confident | 77.8 | Confident | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.006 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -60.2 | -30.9 | -175.6 | -24 | 35.6 | 0 | 0 | 0 | 113.4 | W243 K251 V252 L253 R431 | W243-P249 HydrophobicContact CG-CB 4.49Å; P249-K251 PolarHBondContact O-N 3.37Å; P249-V252 PolarHBondContact O-N 3.16Å; P249-L253 PolarHBondContact O-N 3.37Å; P249-R431 HydrophobicContact CB-CG 4.03Å; P249-R431 HydrophobicContact CG-CG 3.85Å |
| 250 | E | 73.2 | Confident | 78.1 | Confident | 72 Ų | 72 | 62.7 Ų | 62.7 | 34% | 0.336 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -64.8 | -21.3 | 176.1 | 69.9 | -74.6 | 173.5 | 0 | 0 | 113.7 | S248 V252 L253 P373 I430 | S248-E250 PolarHBondContact O-N 2.84Å; E250-V252 VanDerWaalsContact C-N 3.32Å; E250-L253 WeakPolarHBondContact CA-O 3.41Å; E250-P373 WeakPolarHBondContact O-CB 3.27Å; E250-I430 HydrophobicContact CB-CG2 4.06Å; E250-I430 WeakPolarHBondContact OE2-CD1 3.44Å; E250-I430 WeakPolarHBondContact OE2-CG2 3.27Å |
| 251 | K | 79.4 | Confident | 78.6 | Confident | 133 Ų | 133 | 66.6 Ų | 66.6 | 58% | 0.578 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -83.1 | -11.1 | 172.9 | -61.8 | -172.9 | -170.8 | 167.9 | 0 | 112.8 | S248 P249 P373 | S248-K251 WeakPolarHBondContact O-CB 3.45Å; S248-K251 PolarHBondContact O-N 3.37Å; S248-K251 VanDerWaalsContact O-N 3.09Å; S248-K251 WeakPolarHBondContact OG-CD 3.49Å; P249-K251 PolarHBondContact O-N 3.37Å; K251-P373 VanDerWaalsContact O-CA 3.3Å; K251-P373 WeakPolarHBondContact O-CA 2.99Å; K251-P373 WeakPolarHBondContact O-CB 3.36Å |
| 252 | V | 82.5 | Confident | 79.3 | Confident | 4 Ų | 4 | 63.7 Ų | 63.7 | 2% | 0.024 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -49.8 | 175.8 | -175.6 | 0 | 0 | 0 | 0 | 110.3 | L239 K242 W243 P249 E250 V374 | L239-V252 HydrophobicContact CD1-CG1 3.9Å; K242-V252 HydrophobicContact CB-CG1 4.36Å; K242-V252 HydrophobicContact CD-CG1 4.28Å; K242-V252 HydrophobicContact CG-CG1 4.03Å; K242-V252 HydrophobicContact CG-CG2 4.17Å; W243-V252 HydrophobicContact CB-CB 4.41Å; W243-V252 HydrophobicContact CB-CG1 4.01Å; P249-V252 PolarHBondContact O-N 3.16Å; E250-V252 VanDerWaalsContact C-N 3.32Å; V252-V374 PolarHBondContact O-N 3.22Å |
| 253 | L | 84.6 | Confident | 79.7 | Confident | 6 Ų | 6 | 63.8 Ų | 63.8 | 3% | 0.031 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 130 | 176.7 | -67.3 | 178.4 | 0 | 0 | 0 | 110.2 | L239 W243 P249 E250 L299 V366 V374 M376 | L239-L253 HydrophobicContact CD1-CD2 4.19Å; L239-L253 HydrophobicContact CD2-CD2 3.9Å; L239-L253 HydrophobicContact CG-CD2 4.12Å; W243-L253 HydrophobicContact CB-CD1 4.15Å; W243-L253 HydrophobicContact CB-CG 4.43Å; W243-L253 HydrophobicContact CD2-CD1 4.04Å; W243-L253 HydrophobicContact CG-CD1 3.71Å; W243-L253 HydrophobicContact CG-CG 4.13Å; P249-L253 PolarHBondContact O-N 3.37Å; E250-L253 WeakPolarHBondContact CA-O 3.41Å; L253-L299 HydrophobicContact CD1-CD2 3.95Å; L253-V366 HydrophobicContact CD2-CG1 4.39Å; L253-V366 HydrophobicContact CD2-CG2 4.48Å; L253-V374 WeakPolarHBondContact CA-O 3.13Å; L253-V374 HydrophobicContact CD2-CB 4.02Å; L253-M376 HydrophobicContact CB-CG 4.44Å; L253-M376 HydrophobicContact CB-SD 3.92Å; L253-M376 HydrophobicContact CD1-SD 4.38Å |
| 254 | S | 83 | Confident | 80.2 | Confident | 28 Ų | 28 | 65.5 Ų | 65.5 | 20% | 0.196 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 144.5 | 177.7 | -177.1 | 0 | 0 | 0 | 0 | 112 | C256 V374 L375 M376 | S254-C256 WeakPolarHBondContact CB-O 3.44Å; S254-C256 PolarHBondContact O-N 3.23Å; S254-C256 PolarHBondContact OG-N 3.16Å; S254-C256 PolarHBondContact OG-O 3.49Å; S254-V374 PolarHBondContact N-O 2.97Å; S254-L375 CarbonylContact O-C 3.53Å; S254-L375 WeakPolarHBondContact O-CA 3.36Å; S254-M376 PolarHBondContact O-N 3.44Å |
| 255 | E | 81.1 | Confident | 80.8 | Confident | 87 Ų | 87 | 66.3 Ų | 66.3 | 41% | 0.407 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -73.5 | -19.1 | 174.9 | -61.8 | -173.6 | 170.7 | 0 | 0 | 112.9 | L375 M376 Q377 R378 | E255-L375 WeakPolarHBondContact O-CD1 3.42Å; E255-M376 WeakPolarHBondContact CA-O 3.36Å; E255-M376 HydrophobicContact CG-CE 3.58Å; E255-M376 HydrophobicContact CG-CG 4.26Å; E255-Q377 PolarHBondContact O-NE2 2.81Å; E255-Q377 VanDerWaalsContact O-NE2 3.13Å; E255-R378 IonicContact OE1-NH1 3.78Å |
| 256 | C | 83.5 | Confident | 81.5 | Confident | 96 Ų | 96 | 62.4 Ų | 62.4 | 65% | 0.649 | 33% | 0.327 | S | S | * | . | trans | -140.3 | 135.9 | 178.4 | -176.2 | 0 | 0 | 0 | 0 | 110 | S254 | S254-C256 WeakPolarHBondContact CB-O 3.44Å; S254-C256 PolarHBondContact O-N 3.23Å; S254-C256 PolarHBondContact OG-N 3.16Å; S254-C256 PolarHBondContact OG-O 3.49Å | ||
| 257 | I | 86.3 | Confident | 81.6 | Confident | 15 Ų | 15 | 66.9 Ų | 66.9 | 8% | 0.077 | 35% | 0.349 | C | S | . | . | trans | -126.6 | 143.5 | 176.5 | 65.6 | 171.5 | 0 | 0 | 0 | 109.5 | G259 V260 F369 P373 L375 | I257-G259 PolarHBondContact O-N 2.85Å; I257-V260 HydrophobicContact CD1-CB 4.02Å; I257-V260 HydrophobicContact CD1-CG2 3.58Å; I257-V260 HydrophobicContact CG1-CB 3.68Å; I257-V260 HydrophobicContact CG1-CG2 3.72Å; I257-V260 PolarHBondContact O-N 2.81Å; I257-F369 HydrophobicContact CD1-CD2 3.6Å; I257-F369 HydrophobicContact CD1-CE2 3.81Å; I257-P373 HydrophobicContact CG2-CG 4.09Å; I257-P373 WeakPolarHBondContact CG2-O 3.42Å; I257-L375 HydrophobicContact CD1-CB 3.91Å; I257-L375 HydrophobicContact CG1-CB 4.25Å; I257-L375 HydrophobicContact CG1-CD1 4.36Å; I257-L375 HydrophobicContact CG2-CB 4.17Å; I257-L375 HydrophobicContact CG2-CD1 4.37Å | ||
| 258 | E | 83.8 | Confident | 82.2 | Confident | 174 Ų | 174 | 63.4 Ų | 63.4 | 81% | 0.813 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | 132 | -178.3 | -172.8 | 178.7 | -173.6 | 0 | 0 | 110.5 | R291 | E258-R291 PolarHBondContact O-NH1 2.95Å; E258-R291 PolarHBondContact O-NH2 3.13Å |
| 259 | G | 81.7 | Confident | 82.3 | Confident | 26 Ų | 26 | 63.4 Ų | 63.4 | 27% | 0.268 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81 | 8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | I257 C287 K288 | I257-G259 PolarHBondContact O-N 2.85Å; G259-C287 CarbonylContact O-C 3.55Å; G259-C287 WeakPolarHBondContact O-CA 3.46Å; G259-K288 CarbonylContact C-O 3.56Å; G259-K288 WeakPolarHBondContact CA-O 3.45Å; G259-K288 CarbonylContact O-C 3.59Å; G259-K288 PolarHBondContact O-N 3.44Å |
| 260 | V | 88.2 | Confident | 82.4 | Confident | 12 Ų | 12 | 64.4 Ų | 64.4 | 7% | 0.073 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 121.2 | 171.7 | -175.1 | 0 | 0 | 0 | 0 | 110.4 | I257 L285 T286 C287 F369 L375 | I257-V260 HydrophobicContact CD1-CB 4.02Å; I257-V260 HydrophobicContact CD1-CG2 3.58Å; I257-V260 HydrophobicContact CG1-CB 3.68Å; I257-V260 HydrophobicContact CG1-CG2 3.72Å; I257-V260 PolarHBondContact O-N 2.81Å; V260-L285 HydrophobicContact CG1-CB 4.31Å; V260-T286 WeakPolarHBondContact CA-O 3.32Å; V260-C287 HydrophobicContact CG2-CB 4.36Å; V260-F369 HydrophobicContact CG1-CE2 4.34Å; V260-F369 HydrophobicContact CG1-CZ 4.11Å; V260-F369 HydrophobicContact CG2-CE2 4.25Å; V260-F369 HydrophobicContact CG2-CZ 4.28Å; V260-L375 HydrophobicContact CG1-CD2 4.15Å |
| 261 | K | 88 | Confident | 82.4 | Confident | 125 Ų | 125 | 63.3 Ų | 63.3 | 54% | 0.543 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 128.4 | 172.4 | -169.7 | -169.4 | -177.6 | -157.3 | 0 | 109.3 | E263 L285 T286 | K261-E263 WeakPolarHBondContact CE-OE1 3.42Å; K261-E263 IonicContact NZ-OE1 3.71Å; K261-E263 PolarHBondContact NZ-OE1 2.81Å; K261-L285 CarbonylContact O-C 3.59Å; K261-L285 WeakPolarHBondContact O-CA 3.16Å; K261-T286 PolarHBondContact N-O 3.26Å; K261-T286 PolarHBondContact O-N 2.95Å |
| 262 | V | 89.8 | Confident | 82.3 | Confident | 37 Ų | 37 | 58.1 Ų | 58.1 | 22% | 0.224 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 126.1 | 179.4 | -174.8 | 0 | 0 | 0 | 0 | 109.5 | F283 L285 L375 Q377 | V262-F283 HydrophobicContact CG1-CD1 4.36Å; V262-L285 HydrophobicContact CB-CD2 4.24Å; V262-L285 HydrophobicContact CG1-CD2 3.87Å; V262-L285 HydrophobicContact CG2-CD2 3.78Å; V262-L375 HydrophobicContact CG2-CD1 4.22Å; V262-L375 HydrophobicContact CG2-CD2 3.69Å; V262-Q377 HydrophobicContact CG1-CG 4.18Å |
| 263 | E | 89.6 | Confident | 81.8 | Confident | 97 Ų | 97 | 60.5 Ų | 60.5 | 45% | 0.453 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 151 | 167.9 | -67.4 | 178 | -177.6 | 0 | 0 | 108.5 | K261 F283 A284 | K261-E263 WeakPolarHBondContact CE-OE1 3.42Å; K261-E263 IonicContact NZ-OE1 3.71Å; K261-E263 PolarHBondContact NZ-OE1 2.81Å; E263-F283 CarbonylContact O-C 3.59Å; E263-F283 WeakPolarHBondContact O-CA 3.22Å; E263-A284 HydrophobicContact CB-CB 4.24Å; E263-A284 PolarHBondContact N-O 2.97Å; E263-A284 PolarHBondContact O-N 2.85Å |
| 264 | H | 88.9 | Confident | 81.1 | Confident | 71 Ų | 71 | 63.8 Ų | 63.8 | 33% | 0.329 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 146.5 | -171.5 | 59.3 | -40.6 | 0 | 0 | 0 | 110.1 | L268 T282 F283 | H264-L268 VanDerWaalsContact CD2-CD2 3.41Å; H264-L268 WeakPolarHBondContact CD2-CD2 3.38Å; H264-L268 WeakPolarHBondContact CD2-CG 3.3Å; H264-L268 WeakPolarHBondContact NE2-CG 3.4Å; H264-T282 VanDerWaalsContact CA-O 3.27Å; H264-T282 WeakPolarHBondContact CA-O 3.48Å; H264-F283 HydrophobicContact CB-CD1 3.83Å; H264-F283 HydrophobicContact CB-CE1 3.96Å |
| 265 | N | 83.4 | Confident | 80.2 | Confident | 119 Ų | 119 | 68.4 Ų | 68.4 | 64% | 0.636 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 128.9 | 176 | 178.6 | 43.5 | 0 | 0 | 0 | 109.3 | T282 | N265-T282 PolarHBondContact N-O 3.34Å; N265-T282 PolarHBondContact O-N 3.44Å |
| 266 | P | 85.2 | Confident | 79.6 | Confident | 32 Ų | 32 | 71.4 Ų | 71.4 | 21% | 0.208 | 38% | 0.38 | C | S | . | . | S | Bend | cis | -71.9 | -170.6 | -5.3 | 36.2 | -39.6 | 0 | 0 | 0 | 112.2 | V270 T280 W281 | P266-V270 HydrophobicContact CB-CG2 4.38Å; P266-V270 HydrophobicContact CG-CG2 3.9Å; P266-T280 WeakPolarHBondContact CD-O 3.31Å; P266-W281 HydrophobicContact CG-CG 4.47Å |
| 267 | D | 75.9 | Confident | 79.1 | Confident | 119 Ų | 119 | 67.2 Ų | 67.2 | 64% | 0.636 | 35% | 0.352 | S | S | * | . | trans | -54.7 | 152.5 | 174.2 | -65.9 | -35.4 | 0 | 0 | 0 | 111.9 | S269 V270 W281 | D267-S269 PolarHBondContact O-N 3.24Å; D267-S269 VanDerWaalsContact O-N 3.15Å; D267-V270 VanDerWaalsContact O-CG2 3.31Å; D267-V270 WeakPolarHBondContact O-CG2 3.36Å; D267-W281 PolarHBondContact O-NE1 3.36Å | ||
| 268 | L | 76.7 | Confident | 79.1 | Confident | 46 Ų | 46 | 72.4 Ų | 72.4 | 24% | 0.241 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -60 | -25.3 | -179.3 | -68 | 176 | 0 | 0 | 0 | 113.8 | H264 F283 R378 V379 M380 | H264-L268 VanDerWaalsContact CD2-CD2 3.41Å; H264-L268 WeakPolarHBondContact CD2-CD2 3.38Å; H264-L268 WeakPolarHBondContact CD2-CG 3.3Å; H264-L268 WeakPolarHBondContact NE2-CG 3.4Å; L268-F283 HydrophobicContact CD2-CE1 3.75Å; L268-F283 HydrophobicContact CD2-CZ 3.99Å; L268-R378 WeakPolarHBondContact CB-O 3.45Å; L268-V379 HydrophobicContact CD2-CG1 3.83Å; L268-V379 CarbonylContact O-C 3.5Å; L268-V379 WeakPolarHBondContact O-CA 3.27Å; L268-M380 PolarHBondContact O-N 3.19Å |
| 269 | S | 72.7 | Confident | 79.3 | Confident | 32 Ų | 32 | 66.5 Ų | 66.5 | 22% | 0.224 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 120.7 | 177.4 | 179.4 | 0 | 0 | 0 | 0 | 109.3 | D267 M380 | D267-S269 PolarHBondContact O-N 3.24Å; D267-S269 VanDerWaalsContact O-N 3.15Å; S269-M380 VanDerWaalsContact CA-O 3.31Å; S269-M380 WeakPolarHBondContact CA-O 3.49Å; S269-M380 WeakPolarHBondContact OG-CE 3.37Å |
| 270 | V | 73.3 | Confident | 79.8 | Confident | 22 Ų | 22 | 67.3 Ų | 67.3 | 13% | 0.133 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 139.6 | -177.3 | -177.5 | 0 | 0 | 0 | 0 | 109.7 | P266 D267 V272 Q279 W281 M380 I381 D382 | P266-V270 HydrophobicContact CB-CG2 4.38Å; P266-V270 HydrophobicContact CG-CG2 3.9Å; D267-V270 VanDerWaalsContact O-CG2 3.31Å; D267-V270 WeakPolarHBondContact O-CG2 3.36Å; V270-V272 HydrophobicContact CG1-CG1 4.19Å; V270-Q279 HydrophobicContact CG1-CG 4.4Å; V270-W281 HydrophobicContact CB-CZ2 4.24Å; V270-W281 HydrophobicContact CG2-CZ2 3.82Å; V270-M380 PolarHBondContact N-O 3.48Å; V270-I381 HydrophobicContact CB-CD1 4.41Å; V270-I381 HydrophobicContact CB-CG1 4.49Å; V270-I381 HydrophobicContact CG1-CD1 4.42Å; V270-I381 CarbonylContact O-C 3.54Å; V270-I381 VanDerWaalsContact O-CA 3.26Å; V270-I381 WeakPolarHBondContact O-CA 3.41Å; V270-D382 PolarHBondContact O-N 2.98Å |
| 271 | T | 73.6 | Confident | 80.1 | Confident | 49 Ų | 49 | 66.7 Ų | 66.7 | 30% | 0.301 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 132.7 | 173.3 | -51.4 | 0 | 0 | 0 | 0 | 110.1 | D382 L389 | T271-D382 CarbonylContact C-O 3.41Å; T271-D382 WeakPolarHBondContact CA-O 3.47Å; T271-D382 HydrophobicContact CG2-CB 4Å; T271-L389 HydrophobicContact CG2-CD1 3.39Å |
| 272 | V | 76.8 | Confident | 80.4 | Confident | 23 Ų | 23 | 63.8 Ų | 63.8 | 14% | 0.139 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 141 | -178.7 | -61.7 | 0 | 0 | 0 | 0 | 110.9 | V270 S277 I381 D382 A383 A384 | V270-V272 HydrophobicContact CG1-CG1 4.19Å; V272-S277 WeakPolarHBondContact CG2-OG 3.3Å; V272-I381 HydrophobicContact CG1-CD1 4.04Å; V272-I381 HydrophobicContact CG2-CD1 4.3Å; V272-I381 HydrophobicContact CG2-CG1 4.26Å; V272-D382 PolarHBondContact N-O 2.96Å; V272-A383 HydrophobicContact CG2-CB 3.74Å; V272-A383 WeakPolarHBondContact O-CA 3.23Å; V272-A384 PolarHBondContact O-N 2.72Å |
| 273 | S | 71.2 | Confident | 80.6 | Confident | 54 Ų | 54 | 62 Ų | 62 | 38% | 0.378 | 33% | 0.326 | S | S | . | . | trans | -97.4 | -2.3 | -173.7 | 54.9 | 0 | 0 | 0 | 0 | 114.7 | A384 | S273-A384 CarbonylContact C-O 3.48Å; S273-A384 WeakPolarHBondContact CA-O 3.3Å | ||
| 274 | T | 69.6 | Low | 80.8 | Confident | 76 Ų | 76 | 58.4 Ų | 58.4 | 47% | 0.466 | 31% | 0.313 | S | S | . | . | trans | -115 | 138.5 | -173.4 | 58.7 | 0 | 0 | 0 | 0 | 112.1 | K276 | T274-K276 VanDerWaalsContact C-N 3.35Å; T274-K276 PolarHBondContact O-N 3.31Å; T274-K276 PolarHBondContact OG1-O 3.3Å | ||
| 275 | K | 64.5 | Low | 80.9 | Confident | 125 Ų | 125 | 55 Ų | 55 | 54% | 0.543 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -58.5 | -44.6 | 177.6 | -73.2 | -170.5 | 179.3 | -179.9 | 0 | 112.7 | S277 T355 E356 F358 | K275-S277 PolarHBondContact O-N 3.28Å; K275-T355 CarbonylContact O-C 3.47Å; K275-E356 CarbonylContact O-C 3.53Å; K275-E356 VanDerWaalsContact O-C 3.23Å; K275-E356 WeakPolarHBondContact O-CA 3.44Å; K275-F358 HydrophobicContact CB-CE1 4.3Å; K275-F358 HydrophobicContact CB-CZ 4.39Å; K275-F358 HydrophobicContact CD-CD2 4.36Å; K275-F358 HydrophobicContact CD-CE2 3.97Å; K275-F358 HydrophobicContact CD-CZ 4.22Å; K275-F358 HydrophobicContact CG-CD1 3.97Å; K275-F358 HydrophobicContact CG-CD2 3.89Å; K275-F358 HydrophobicContact CG-CE1 3.54Å; K275-F358 HydrophobicContact CG-CE2 3.45Å; K275-F358 VanDerWaalsContact CG-CE2 3.45Å; K275-F358 HydrophobicContact CG-CG 4.14Å; K275-F358 HydrophobicContact CG-CZ 3.26Å |
| 276 | K | 68.3 | Low | 81.3 | Confident | 150 Ų | 150 | 51 Ų | 51 | 65% | 0.652 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -86.9 | 104.2 | 169.2 | -67.9 | -166.9 | 175.5 | -154.5 | 0 | 107.2 | T274 T355 E356 | T274-K276 VanDerWaalsContact C-N 3.35Å; T274-K276 PolarHBondContact O-N 3.31Å; T274-K276 PolarHBondContact OG1-O 3.3Å; K276-T355 WeakPolarHBondContact CA-O 3.16Å; K276-E356 WeakPolarHBondContact CE-OE1 3.3Å; K276-E356 HydrophobicContact CG-CG 4.44Å; K276-E356 IonicContact NZ-OE1 3.59Å; K276-E356 PolarHBondContact NZ-OE1 3.15Å; K276-E356 VanDerWaalsContact NZ-OE1 3.08Å |
| 277 | S | 73.4 | Confident | 81.4 | Confident | 7 Ų | 7 | 49.4 Ų | 49.4 | 5% | 0.049 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 133.3 | 176.3 | 57.9 | 0 | 0 | 0 | 0 | 109.3 | V272 K275 N354 T355 | V272-S277 WeakPolarHBondContact CG2-OG 3.3Å; K275-S277 PolarHBondContact O-N 3.28Å; S277-N354 WeakPolarHBondContact O-CA 3.32Å; S277-N354 PolarHBondContact O-OD1 2.91Å; S277-T355 PolarHBondContact N-O 3.11Å; S277-T355 PolarHBondContact O-N 3.32Å; S277-T355 VanDerWaalsContact O-N 3.16Å; S277-T355 VanDerWaalsContact OG-CG2 3.22Å; S277-T355 WeakPolarHBondContact OG-CG2 3.48Å |
| 278 | H | 86.8 | Confident | 82 | Confident | 124 Ų | 124 | 49.9 Ų | 49.9 | 57% | 0.574 | 26% | 0.263 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 121.2 | 172.2 | 177.7 | 72.2 | 0 | 0 | 0 | 107.1 | T280 F353 | H278-T280 PolarHBondContact NE2-OG1 3.12Å; H278-F353 VanDerWaalsContact CA-O 3.3Å; H278-F353 WeakPolarHBondContact CA-O 3.34Å; H278-F353 PolarHBondContact ND1-O 3.25Å |
| 279 | Q | 88 | Confident | 82.3 | Confident | 50 Ų | 50 | 51.8 Ų | 51.8 | 23% | 0.234 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 143.5 | 178 | -172.2 | 56 | 52 | 0 | 0 | 109.1 | V270 W281 A352 F353 I381 | V270-Q279 HydrophobicContact CG1-CG 4.4Å; Q279-W281 HydrophobicContact CB-CH2 4.3Å; Q279-W281 HydrophobicContact CB-CZ3 4.39Å; Q279-W281 HydrophobicContact CG-CH2 4.01Å; Q279-W281 HydrophobicContact CG-CZ2 4.06Å; Q279-W281 HydrophobicContact CG-CZ3 4.24Å; Q279-A352 CarbonylContact O-C 3.53Å; Q279-A352 WeakPolarHBondContact O-CA 3.31Å; Q279-F353 HydrophobicContact CB-CB 4.5Å; Q279-F353 HydrophobicContact CB-CD1 4.48Å; Q279-F353 PolarHBondContact N-O 2.87Å; Q279-F353 PolarHBondContact O-N 2.75Å; Q279-I381 HydrophobicContact CB-CD1 3.7Å; Q279-I381 HydrophobicContact CG-CD1 4.11Å |
| 280 | T | 91.7 | Very high | 82.8 | Confident | 43 Ų | 43 | 52.2 Ų | 52.2 | 26% | 0.264 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 134.3 | 174.2 | -63.8 | 0 | 0 | 0 | 0 | 109.5 | P266 H278 I310 I351 | P266-T280 WeakPolarHBondContact CD-O 3.31Å; H278-T280 PolarHBondContact NE2-OG1 3.12Å; T280-I310 HydrophobicContact CG2-CD1 3.67Å; T280-I351 CarbonylContact C-O 3.59Å; T280-I351 VanDerWaalsContact CA-O 3.29Å; T280-I351 WeakPolarHBondContact CA-O 3.37Å |
| 281 | W | 94.5 | Very high | 83.5 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 138.2 | 167.3 | -67.4 | -92.8 | 0 | 0 | 0 | 110.4 | P266 D267 V270 Q279 F283 F307 G350 I351 F353 V379 I381 | P266-W281 HydrophobicContact CG-CG 4.47Å; D267-W281 PolarHBondContact O-NE1 3.36Å; V270-W281 HydrophobicContact CB-CZ2 4.24Å; V270-W281 HydrophobicContact CG2-CZ2 3.82Å; Q279-W281 HydrophobicContact CB-CH2 4.3Å; Q279-W281 HydrophobicContact CB-CZ3 4.39Å; Q279-W281 HydrophobicContact CG-CH2 4.01Å; Q279-W281 HydrophobicContact CG-CZ2 4.06Å; Q279-W281 HydrophobicContact CG-CZ3 4.24Å; W281-F283 HydrophobicContact CB-CD2 4.29Å; W281-F283 HydrophobicContact CB-CE2 3.6Å; W281-F283 HydrophobicContact CB-CZ 4.19Å; W281-F283 HydrophobicContact CG-CE2 4.41Å; W281-F307 HydrophobicContact CH2-CE1 4.42Å; W281-F307 HydrophobicContact CZ3-CE1 4.09Å; W281-G350 CarbonylContact O-C 3.46Å; W281-G350 VanDerWaalsContact O-CA 3.31Å; W281-G350 WeakPolarHBondContact O-CA 3.48Å; W281-I351 PolarHBondContact N-O 3.35Å; W281-I351 PolarHBondContact O-N 3.08Å; W281-F353 HydrophobicContact CH2-CB 4.12Å; W281-F353 HydrophobicContact CZ3-CB 3.57Å; W281-F353 HydrophobicContact CZ3-CG 4.49Å; W281-V379 HydrophobicContact CD2-CG1 4.26Å; W281-V379 HydrophobicContact CG-CG1 4.35Å; W281-V379 HydrophobicContact CZ2-CB 4.43Å; W281-I381 HydrophobicContact CH2-CB 3.99Å; W281-I381 HydrophobicContact CH2-CD1 4.05Å; W281-I381 HydrophobicContact CH2-CG2 4.21Å; W281-I381 HydrophobicContact CZ2-CB 4.36Å |
| 282 | T | 94.2 | Very high | 84.2 | Confident | 63 Ų | 63 | 53.5 Ų | 53.5 | 39% | 0.387 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 116.8 | 170.4 | -56 | 0 | 0 | 0 | 0 | 109.1 | H264 N265 V349 | H264-T282 VanDerWaalsContact CA-O 3.27Å; H264-T282 WeakPolarHBondContact CA-O 3.48Å; N265-T282 PolarHBondContact N-O 3.34Å; N265-T282 PolarHBondContact O-N 3.44Å; T282-V349 CarbonylContact C-O 3.55Å; T282-V349 WeakPolarHBondContact CA-O 3.43Å |
| 283 | F | 94.6 | Very high | 84.8 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 120.6 | 174 | -64.9 | -91.5 | 0 | 0 | 0 | 109.7 | V262 E263 H264 L268 W281 K348 V349 I351 I365 F367 Q377 V379 | V262-F283 HydrophobicContact CG1-CD1 4.36Å; E263-F283 CarbonylContact O-C 3.59Å; E263-F283 WeakPolarHBondContact O-CA 3.22Å; H264-F283 HydrophobicContact CB-CD1 3.83Å; H264-F283 HydrophobicContact CB-CE1 3.96Å; L268-F283 HydrophobicContact CD2-CE1 3.75Å; L268-F283 HydrophobicContact CD2-CZ 3.99Å; W281-F283 HydrophobicContact CB-CD2 4.29Å; W281-F283 HydrophobicContact CB-CE2 3.6Å; W281-F283 HydrophobicContact CB-CZ 4.19Å; W281-F283 HydrophobicContact CG-CE2 4.41Å; F283-K348 CarbonylContact O-C 3.52Å; F283-K348 VanDerWaalsContact O-CA 3.25Å; F283-K348 WeakPolarHBondContact O-CA 3.36Å; F283-V349 HydrophobicContact CB-CB 4.39Å; F283-V349 PolarHBondContact N-O 2.99Å; F283-V349 PolarHBondContact O-N 3.35Å; F283-I351 HydrophobicContact CD2-CG1 4.12Å; F283-I351 HydrophobicContact CE2-CG1 3.96Å; F283-I365 HydrophobicContact CD2-CD1 4.37Å; F283-I365 HydrophobicContact CE1-CD1 4.45Å; F283-I365 HydrophobicContact CE2-CD1 3.4Å; F283-I365 HydrophobicContact CZ-CD1 3.45Å; F283-I365 VanDerWaalsContact CZ-CD1 3.45Å; F283-F367 HydrophobicContact CB-CZ 4.02Å; F283-F367 HydrophobicContact CD1-CZ 4.23Å; F283-F367 HydrophobicContact CD2-CZ 4.28Å; F283-F367 AromaticContact CG-CZ 3.91Å; F283-F367 HydrophobicContact CG-CZ 3.91Å; F283-Q377 HydrophobicContact CD1-CB 4.43Å; F283-Q377 HydrophobicContact CD1-CG 4.24Å; F283-Q377 HydrophobicContact CE1-CB 3.8Å; F283-Q377 HydrophobicContact CE1-CG 4.04Å; F283-Q377 HydrophobicContact CZ-CB 4.43Å; F283-V379 HydrophobicContact CE2-CG1 4.43Å; F283-V379 HydrophobicContact CZ-CG1 3.69Å |
| 284 | A | 92.8 | Very high | 85.6 | Confident | 21 Ų | 21 | 54.8 Ų | 54.8 | 17% | 0.174 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 109.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | E263 Y347 | E263-A284 HydrophobicContact CB-CB 4.24Å; E263-A284 PolarHBondContact N-O 2.97Å; E263-A284 PolarHBondContact O-N 2.85Å; A284-Y347 CarbonylContact C-O 3.54Å; A284-Y347 VanDerWaalsContact CA-O 3.3Å; A284-Y347 WeakPolarHBondContact CA-O 3.48Å |
| 285 | L | 92.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 117.2 | 179.5 | -45.6 | 171.2 | 0 | 0 | 0 | 108.7 | V260 K261 V262 L293 V346 Y347 F367 F369 L375 | V260-L285 HydrophobicContact CG1-CB 4.31Å; K261-L285 CarbonylContact O-C 3.59Å; K261-L285 WeakPolarHBondContact O-CA 3.16Å; V262-L285 HydrophobicContact CB-CD2 4.24Å; V262-L285 HydrophobicContact CG1-CD2 3.87Å; V262-L285 HydrophobicContact CG2-CD2 3.78Å; L285-L293 HydrophobicContact CD1-CD2 4.39Å; L285-V346 CarbonylContact O-C 3.55Å; L285-V346 VanDerWaalsContact O-CA 3.29Å; L285-V346 WeakPolarHBondContact O-CA 3.25Å; L285-Y347 PolarHBondContact N-O 3.26Å; L285-Y347 PolarHBondContact O-N 3.02Å; L285-F367 HydrophobicContact CD1-CB 4.21Å; L285-F367 HydrophobicContact CD1-CD1 3.54Å; L285-F367 HydrophobicContact CD1-CE1 3.96Å; L285-F367 HydrophobicContact CD1-CG 3.85Å; L285-F369 HydrophobicContact CD1-CZ 4.05Å; L285-L375 HydrophobicContact CD2-CD2 4.06Å |
| 286 | T | 90.3 | Very high | 87.9 | Confident | 34 Ų | 34 | 48.8 Ų | 48.8 | 21% | 0.209 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 111.3 | 174.8 | -57.7 | 0 | 0 | 0 | 0 | 109.7 | V260 K261 V346 | V260-T286 WeakPolarHBondContact CA-O 3.32Å; K261-T286 PolarHBondContact N-O 3.26Å; K261-T286 PolarHBondContact O-N 2.95Å; T286-V346 HydrophobicContact CG2-CG2 4.4Å |
| 287 | C | 89.1 | Confident | 89 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 113.2 | -176.6 | -55.4 | 0 | 0 | 0 | 0 | 110.8 | G259 V260 P289 R291 H344 Y345 F369 | G259-C287 CarbonylContact O-C 3.55Å; G259-C287 WeakPolarHBondContact O-CA 3.46Å; V260-C287 HydrophobicContact CG2-CB 4.36Å; C287-P289 CarbonylContact C-O 3.57Å; C287-P289 CarbonylContact O-C 3.57Å; C287-R291 HydrophobicContact CB-CB 4.16Å; C287-H344 WeakPolarHBondContact O-CA 3.44Å; C287-H344 VanDerWaalsContact O-CB 3.24Å; C287-H344 WeakPolarHBondContact O-CB 3.19Å; C287-Y345 PolarHBondContact N-O 3.43Å; C287-Y345 PolarHBondContact O-N 3.27Å; C287-Y345 VanDerWaalsContact O-N 3.11Å; C287-F369 WeakPolarHBondContact SG-CE1 3.44Å |
| 288 | K | 87 | Confident | 89.8 | Confident | 129 Ų | 129 | 41.4 Ų | 41.4 | 56% | 0.561 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -131.7 | 107.5 | 176.5 | -75.9 | -176.4 | 179.3 | -169.7 | 0 | 109.3 | G259 H344 | G259-K288 CarbonylContact C-O 3.56Å; G259-K288 WeakPolarHBondContact CA-O 3.45Å; G259-K288 CarbonylContact O-C 3.59Å; G259-K288 PolarHBondContact O-N 3.44Å; K288-H344 HydrophobicContact CD-CB 4.27Å; K288-H344 HydrophobicContact CG-CB 3.49Å; K288-H344 VanDerWaalsContact CG-CB 3.49Å |
| 289 | P | 83.9 | Confident | 89.7 | Confident | 86 Ų | 86 | 35.8 Ų | 35.8 | 56% | 0.558 | 18% | 0.184 | S | C | * | . | S | Bend | cis | -69.2 | 166.2 | 4 | 30.3 | -36.3 | 0 | 0 | 0 | 113.2 | C287 R291 | C287-P289 CarbonylContact C-O 3.57Å; C287-P289 CarbonylContact O-C 3.57Å; P289-R291 PolarHBondContact O-N 3.49Å |
| 290 | A | 83.8 | Confident | 89.2 | Confident | 40 Ų | 40 | 37.5 Ų | 37.5 | 33% | 0.331 | 19% | 0.189 | S | C | . | . | trans | -50.3 | 121.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L342 D343 Y345 | A290-L342 VanDerWaalsContact CB-O 3.27Å; A290-L342 WeakPolarHBondContact CB-O 3.2Å; A290-D343 PolarHBondContact N-O 2.78Å; A290-Y345 HydrophobicContact CB-CD2 3.66Å; A290-Y345 HydrophobicContact CB-CE2 4.04Å | ||
| 291 | R | 87.4 | Confident | 88.4 | Confident | 59 Ų | 59 | 39.3 Ų | 39.3 | 22% | 0.223 | 20% | 0.197 | C | C | . | . | trans | -129.7 | 142.4 | 176.1 | -69 | -176.2 | -177 | 169.1 | 7.9 | 110 | E258 C287 P289 Y347 F369 | E258-R291 PolarHBondContact O-NH1 2.95Å; E258-R291 PolarHBondContact O-NH2 3.13Å; C287-R291 HydrophobicContact CB-CB 4.16Å; P289-R291 PolarHBondContact O-N 3.49Å; R291-Y347 WeakPolarHBondContact O-CE2 3.24Å; R291-Y347 PolarHBondContact O-OH 3.01Å; R291-F369 HydrophobicContact CB-CD1 4.02Å | ||
| 292 | M | 87.4 | Confident | 87.2 | Confident | 40 Ų | 40 | 43.4 Ų | 43.4 | 20% | 0.197 | 23% | 0.231 | C | C | . | . | trans | -88.5 | 129.3 | 179.1 | -165.6 | 165.8 | 70.9 | 0 | 0 | 110.9 | Y294 Y347 F369 | M292-Y294 HydrophobicContact CB-CE2 4.21Å; M292-Y294 HydrophobicContact CE-CD1 3.8Å; M292-Y294 HydrophobicContact CE-CE1 3.11Å; M292-Y294 HydrophobicContact CE-CE2 4.07Å; M292-Y294 WeakPolarHBondContact CE-OH 3.44Å; M292-Y294 WeakPolarHBondContact O-CD2 3.38Å; M292-Y347 WeakPolarHBondContact CA-OH 3.42Å; M292-F369 WeakPolarHBondContact O-CA 3.43Å | ||
| 293 | L | 89.4 | Confident | 86.1 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | trans | -81.9 | 113.1 | 171.4 | -173.6 | 66.4 | 0 | 0 | 0 | 109.4 | L285 V296 W332 Y347 V349 F367 F369 | L285-L293 HydrophobicContact CD1-CD2 4.39Å; L293-V296 HydrophobicContact CD1-CG2 4.35Å; L293-V296 HydrophobicContact CD2-CG2 3.61Å; L293-V296 HydrophobicContact CG-CG2 4.12Å; L293-W332 HydrophobicContact CD2-CZ3 4.28Å; L293-W332 HydrophobicContact CG-CZ3 4.24Å; L293-Y347 HydrophobicContact CB-CD1 3.88Å; L293-Y347 HydrophobicContact CB-CD2 4.16Å; L293-Y347 HydrophobicContact CB-CE1 3.56Å; L293-Y347 HydrophobicContact CB-CE2 3.85Å; L293-Y347 HydrophobicContact CB-CG 4.18Å; L293-Y347 HydrophobicContact CD2-CD1 3.83Å; L293-Y347 HydrophobicContact CD2-CE1 4.35Å; L293-Y347 HydrophobicContact CD2-CG 3.95Å; L293-Y347 PolarHBondContact N-OH 3.48Å; L293-Y347 VanDerWaalsContact N-OH 3.08Å; L293-V349 HydrophobicContact CD2-CG2 4.42Å; L293-F367 HydrophobicContact CD1-CB 3.88Å; L293-F369 HydrophobicContact CB-CD1 4.24Å; L293-F369 HydrophobicContact CB-CE1 4.01Å; L293-F369 HydrophobicContact CD1-CD1 4.11Å; L293-F369 HydrophobicContact CD1-CD2 4.48Å; L293-F369 HydrophobicContact CD1-CE1 3.8Å; L293-F369 HydrophobicContact CD1-CE2 4.21Å; L293-F369 HydrophobicContact CD1-CG 4.45Å; L293-F369 HydrophobicContact CD1-CZ 3.87Å; L293-F369 HydrophobicContact CG-CE1 4.48Å | ||
| 294 | Y | 88.8 | Confident | 85.3 | Confident | 103 Ų | 103 | 48.1 Ų | 48.1 | 40% | 0.404 | 24% | 0.244 | S | C | . | . | trans | -90.9 | -36.5 | -178.9 | -70.5 | -89.1 | 0 | 0 | 0 | 112.6 | M292 G334 D368 F369 | M292-Y294 HydrophobicContact CB-CE2 4.21Å; M292-Y294 HydrophobicContact CE-CD1 3.8Å; M292-Y294 HydrophobicContact CE-CE1 3.11Å; M292-Y294 HydrophobicContact CE-CE2 4.07Å; M292-Y294 WeakPolarHBondContact CE-OH 3.44Å; M292-Y294 WeakPolarHBondContact O-CD2 3.38Å; Y294-G334 PolarHBondContact O-N 3.12Å; Y294-D368 PolarHBondContact N-O 3.47Å; Y294-F369 VanDerWaalsContact CD2-C 3.42Å; Y294-F369 WeakPolarHBondContact CD2-O 3.47Å; Y294-F369 WeakPolarHBondContact CE2-O 3.21Å | ||
| 295 | R | 90.6 | Very high | 84.8 | Confident | 75 Ų | 75 | 52.6 Ų | 52.6 | 28% | 0.283 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 149.2 | 179.9 | -52.5 | 179 | 178.7 | -102.3 | -5 | 112.5 | Y235 E331 W332 D368 | Y235-R295 HydrophobicContact CE1-CB 4.48Å; R295-E331 IonicContact CZ-OE1 3.62Å; R295-E331 IonicContact NH1-OE1 2.65Å; R295-E331 PolarHBondContact NH1-OE1 2.95Å; R295-W332 CarbonylContact C-O 3.57Å; R295-W332 VanDerWaalsContact CA-O 3.24Å; R295-W332 WeakPolarHBondContact CA-O 3.37Å; R295-D368 HydrophobicContact CB-CB 3.92Å; R295-D368 PolarHBondContact N-O 3.47Å; R295-D368 VanDerWaalsContact N-O 3.17Å; R295-D368 PolarHBondContact O-N 3.24Å |
| 296 | V | 92.1 | Very high | 84.4 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 126.4 | 164.3 | -177.6 | 0 | 0 | 0 | 0 | 107.5 | L293 I309 I312 E331 W332 V349 I365 V366 F367 | L293-V296 HydrophobicContact CD1-CG2 4.35Å; L293-V296 HydrophobicContact CD2-CG2 3.61Å; L293-V296 HydrophobicContact CG-CG2 4.12Å; V296-I309 HydrophobicContact CB-CD1 4.25Å; V296-I309 HydrophobicContact CG1-CD1 3.91Å; V296-I309 WeakPolarHBondContact O-CD1 3.41Å; V296-I312 HydrophobicContact CB-CD1 4.1Å; V296-I312 HydrophobicContact CG2-CD1 3.94Å; V296-E331 CarbonylContact O-C 3.56Å; V296-E331 WeakPolarHBondContact O-CA 3.41Å; V296-W332 HydrophobicContact CB-CB 4.38Å; V296-W332 HydrophobicContact CB-CE3 4.4Å; V296-W332 HydrophobicContact CG2-CE3 3.97Å; V296-W332 HydrophobicContact CG2-CZ3 4.43Å; V296-W332 PolarHBondContact N-O 3.5Å; V296-W332 PolarHBondContact O-N 3.29Å; V296-V349 HydrophobicContact CG1-CG1 4.03Å; V296-V349 HydrophobicContact CG2-CG2 4.35Å; V296-I365 HydrophobicContact CG1-CG2 4.24Å; V296-V366 CarbonylContact C-O 3.55Å; V296-V366 VanDerWaalsContact CA-O 3.28Å; V296-V366 WeakPolarHBondContact CA-O 3.41Å; V296-F367 HydrophobicContact CG1-CD1 4.08Å; V296-F367 HydrophobicContact CG1-CE1 4.06Å; V296-F367 HydrophobicContact CG2-CD1 3.96Å; V296-F367 HydrophobicContact CG2-CE1 4.49Å |
| 297 | A | 91.2 | Very high | 84.4 | Confident | 2 Ų | 2 | 53 Ų | 53 | 2% | 0.017 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 150.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y235 M236 Q330 E331 V366 | Y235-A297 HydrophobicContact CD1-CB 4.34Å; Y235-A297 HydrophobicContact CE1-CB 4.28Å; M236-A297 HydrophobicContact CG-CB 4.05Å; M236-A297 HydrophobicContact SD-CB 4.22Å; A297-Q330 WeakPolarHBondContact CA-O 3.39Å; A297-E331 HydrophobicContact CB-CG 4.38Å; A297-V366 PolarHBondContact N-O 2.97Å; A297-V366 PolarHBondContact O-N 2.85Å |
| 298 | L | 89.4 | Confident | 84.5 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 107.4 | 170.9 | -61.5 | -178 | 0 | 0 | 0 | 108.8 | Y300 F307 I309 Q330 I351 Q363 I365 | L298-Y300 PolarHBondContact O-N 2.84Å; L298-F307 HydrophobicContact CD1-CB 3.72Å; L298-I309 HydrophobicContact CD1-CG1 4.48Å; L298-I309 HydrophobicContact CG-CG1 4.27Å; L298-Q330 PolarHBondContact N-O 3.06Å; L298-I351 HydrophobicContact CD2-CD1 4.32Å; L298-I351 HydrophobicContact CD2-CG2 4.43Å; L298-Q363 HydrophobicContact CB-CG 4.28Å; L298-Q363 HydrophobicContact CD2-CG 3.96Å; L298-I365 HydrophobicContact CD2-CB 4.42Å; L298-I365 HydrophobicContact CD2-CG1 3.69Å; L298-I365 HydrophobicContact CD2-CG2 4.47Å |
| 299 | L | 84.1 | Confident | 84.8 | Confident | 5 Ų | 5 | 47.8 Ų | 47.8 | 3% | 0.026 | 25% | 0.25 | C | C | . | . | trans | -64.9 | -39.2 | -162.2 | -166.8 | 61.8 | 0 | 0 | 0 | 113.9 | L239 I240 L253 T364 V366 | L239-L299 HydrophobicContact CD2-CD1 4.18Å; I240-L299 HydrophobicContact CD1-CD1 4.15Å; I240-L299 HydrophobicContact CD1-CG 4.19Å; I240-L299 WeakPolarHBondContact CD1-O 3.4Å; I240-L299 HydrophobicContact CG1-CD1 3.68Å; I240-L299 HydrophobicContact CG1-CD2 4.48Å; I240-L299 HydrophobicContact CG1-CG 3.93Å; L253-L299 HydrophobicContact CD1-CD2 3.95Å; L299-T364 HydrophobicContact CB-CG2 4.28Å; L299-T364 WeakPolarHBondContact CB-O 3.22Å; L299-T364 HydrophobicContact CD2-CG2 3.98Å; L299-T364 PolarHBondContact N-O 2.73Å; L299-V366 HydrophobicContact CB-CG2 4.04Å; L299-V366 HydrophobicContact CD1-CG2 4.14Å; L299-V366 HydrophobicContact CD2-CG2 4.27Å; L299-V366 HydrophobicContact CG-CG2 4.39Å | ||
| 300 | Y | 78.1 | Confident | 85.3 | Confident | 87 Ų | 87 | 47.6 Ų | 47.6 | 34% | 0.341 | 24% | 0.243 | S | C | . | . | trans | -105.7 | 135.8 | -173.6 | -60.2 | -57.8 | 0 | 0 | 0 | 112.7 | L298 Q363 T364 | L298-Y300 PolarHBondContact O-N 2.84Å; Y300-Q363 VanDerWaalsContact N-OE1 3.11Å; Y300-Q363 PolarHBondContact O-NE2 2.99Å; Y300-Q363 PolarHBondContact O-OE1 3.41Å; Y300-T364 WeakPolarHBondContact CE2-OG1 3.49Å | ||
| 301 | D | 74.6 | Confident | 85.6 | Confident | 81 Ų | 81 | 47.7 Ų | 47.7 | 43% | 0.433 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -83.4 | -10.3 | 178.3 | -88.3 | -26.9 | 0 | 0 | 0 | 114.5 | H303 R304 | D301-H303 PolarHBondContact O-N 3.45Å; D301-R304 WeakPolarHBondContact O-CB 3.14Å; D301-R304 PolarHBondContact O-N 2.68Å; D301-R304 VanDerWaalsContact O-N 3.09Å; D301-R304 WeakPolarHBondContact OD1-CD 3.3Å; D301-R304 IonicContact OD1-CZ 2.68Å; D301-R304 IonicContact OD1-NE 2.75Å; D301-R304 IonicContact OD1-NH1 2.74Å; D301-R304 PolarHBondContact OD1-NH1 2.73Å; D301-R304 IonicContact OD2-NH1 3.95Å; D301-R304 PolarHBondContact OD2-NH1 3.24Å |
| 302 | A | 70.1 | Confident | 85.9 | Confident | 85 Ų | 85 | 44.9 Ų | 44.9 | 70% | 0.702 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | -55 | -31.1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 303 | H | 70.9 | Confident | 86 | Confident | 51 Ų | 51 | 44 Ų | 44 | 24% | 0.236 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -125 | 28.1 | 179.9 | -57.1 | -60 | 0 | 0 | 0 | 112.7 | D301 P305 H306 F307 F361 R362 | D301-H303 PolarHBondContact O-N 3.45Å; H303-P305 VanDerWaalsContact C-N 3.32Å; H303-P305 VanDerWaalsContact O-N 3.16Å; H303-H306 WeakPolarHBondContact O-CB 3.42Å; H303-H306 PolarHBondContact O-N 3.14Å; H303-F307 HydrophobicContact CB-CD2 3.94Å; H303-F307 HydrophobicContact CB-CE2 3.89Å; H303-F307 PolarHBondContact O-N 3.18Å; H303-F361 HydrophobicContact CB-CD1 4.25Å; H303-F361 AromaticContact CE1-CD1 3.96Å; H303-F361 AromaticContact CG-CD1 3.83Å; H303-F361 AromaticContact ND1-CD1 3.53Å; H303-R362 PolarHBondContact CD2-O 3.46Å |
| 304 | R | 77.9 | Confident | 85.9 | Confident | 111 Ų | 111 | 44 Ų | 44 | 42% | 0.419 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.3 | -39.7 | -177.4 | -168.3 | -177.7 | -174.2 | 125 | -3.9 | 115.2 | D301 H306 Q330 | D301-R304 WeakPolarHBondContact O-CB 3.14Å; D301-R304 PolarHBondContact O-N 2.68Å; D301-R304 VanDerWaalsContact O-N 3.09Å; D301-R304 WeakPolarHBondContact OD1-CD 3.3Å; D301-R304 IonicContact OD1-CZ 2.68Å; D301-R304 IonicContact OD1-NE 2.75Å; D301-R304 IonicContact OD1-NH1 2.74Å; D301-R304 PolarHBondContact OD1-NH1 2.73Å; D301-R304 IonicContact OD2-NH1 3.95Å; D301-R304 PolarHBondContact OD2-NH1 3.24Å; R304-H306 PolarHBondContact O-N 3.34Å; R304-Q330 HydrophobicContact CG-CG 4.03Å |
| 305 | P | 81.7 | Confident | 85.7 | Confident | 115 Ų | 115 | 39.6 Ų | 39.6 | 75% | 0.747 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -18.8 | 178.8 | -20.7 | 34.1 | 0 | 0 | 0 | 114 | H303 | H303-P305 VanDerWaalsContact C-N 3.32Å; H303-P305 VanDerWaalsContact O-N 3.16Å |
| 306 | H | 85.3 | Confident | 85 | Confident | 41 Ų | 41 | 37.6 Ų | 37.6 | 19% | 0.19 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96 | -28.7 | -172.4 | -61.6 | -64.3 | 0 | 0 | 0 | 113.1 | H303 R304 F353 N354 F361 | H303-H306 WeakPolarHBondContact O-CB 3.42Å; H303-H306 PolarHBondContact O-N 3.14Å; R304-H306 PolarHBondContact O-N 3.34Å; H306-F353 HydrophobicContact CB-CD2 3.84Å; H306-F353 HydrophobicContact CB-CE2 3.6Å; H306-F353 CarbonylContact O-C 3.23Å; H306-F353 WeakPolarHBondContact O-CA 3.34Å; H306-N354 WeakPolarHBondContact CA-O 3.5Å; H306-N354 WeakPolarHBondContact CB-O 3.46Å; H306-N354 PolarHBondContact ND1-O 3.19Å; H306-N354 PolarHBondContact O-N 2.91Å; H306-F361 AromaticContact CD2-CD1 3.82Å; H306-F361 AromaticContact CD2-CE1 3.47Å; H306-F361 VanDerWaalsContact CD2-CE1 3.47Å; H306-F361 WeakPolarHBondContact CD2-CE1 3.4Å; H306-F361 AromaticContact CG-CE1 3.94Å; H306-F361 AromaticContact NE2-CE1 3.59Å |
| 307 | F | 89.6 | Confident | 83.9 | Confident | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.009 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 143.3 | -177.8 | -67.2 | -87.7 | 0 | 0 | 0 | 111.4 | W281 L298 H303 Q330 I351 A352 F353 F361 Q363 V379 I381 | W281-F307 HydrophobicContact CH2-CE1 4.42Å; W281-F307 HydrophobicContact CZ3-CE1 4.09Å; L298-F307 HydrophobicContact CD1-CB 3.72Å; H303-F307 HydrophobicContact CB-CD2 3.94Å; H303-F307 HydrophobicContact CB-CE2 3.89Å; H303-F307 PolarHBondContact O-N 3.18Å; F307-Q330 PolarHBondContact O-NE2 2.88Å; F307-I351 HydrophobicContact CD1-CG2 4.47Å; F307-A352 CarbonylContact C-O 3.51Å; F307-A352 VanDerWaalsContact CA-O 3.31Å; F307-A352 WeakPolarHBondContact CA-O 3.26Å; F307-F353 HydrophobicContact CD1-CB 4.06Å; F307-F353 AromaticContact CD1-CD2 3.94Å; F307-F353 HydrophobicContact CD1-CD2 3.94Å; F307-F353 HydrophobicContact CD1-CG 4.49Å; F307-F353 HydrophobicContact CD2-CD2 4.1Å; F307-F353 HydrophobicContact CE1-CB 3.96Å; F307-F353 AromaticContact CE1-CD2 3.54Å; F307-F353 HydrophobicContact CE1-CD2 3.54Å; F307-F353 HydrophobicContact CE1-CE2 4.44Å; F307-F353 HydrophobicContact CE1-CG 4.12Å; F307-F353 AromaticContact CE2-CD2 3.73Å; F307-F353 HydrophobicContact CE2-CD2 3.73Å; F307-F353 AromaticContact CE2-CE2 3.97Å; F307-F353 HydrophobicContact CE2-CE2 3.97Å; F307-F353 HydrophobicContact CG-CD2 4.21Å; F307-F353 AromaticContact CZ-CD2 3.43Å; F307-F353 HydrophobicContact CZ-CD2 3.43Å; F307-F353 VanDerWaalsContact CZ-CD2 3.43Å; F307-F353 AromaticContact CZ-CE2 3.88Å; F307-F353 HydrophobicContact CZ-CE2 3.88Å; F307-F353 HydrophobicContact CZ-CG 4.36Å; F307-F361 HydrophobicContact CE2-CB 3.87Å; F307-F361 HydrophobicContact CZ-CB 3.94Å; F307-Q363 HydrophobicContact CB-CG 4.43Å; F307-Q363 HydrophobicContact CD1-CB 4.06Å; F307-Q363 HydrophobicContact CD1-CG 4.33Å; F307-Q363 HydrophobicContact CD2-CB 3.94Å; F307-Q363 HydrophobicContact CD2-CG 4.26Å; F307-Q363 HydrophobicContact CE1-CB 3.94Å; F307-Q363 HydrophobicContact CE2-CB 3.81Å; F307-Q363 HydrophobicContact CG-CB 4.05Å; F307-Q363 HydrophobicContact CG-CG 4.1Å; F307-Q363 HydrophobicContact CZ-CB 3.82Å; F307-V379 HydrophobicContact CE1-CG2 4.07Å; F307-I381 HydrophobicContact CZ-CG2 4.2Å |
| 308 | S | 91.9 | Very high | 82.8 | Confident | 17 Ų | 17 | 47.7 Ų | 47.7 | 12% | 0.119 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 151.3 | 171.1 | 56 | 0 | 0 | 0 | 0 | 111.7 | I351 A352 | S308-I351 CarbonylContact O-C 3.19Å; S308-I351 WeakPolarHBondContact O-CA 3.25Å; S308-A352 PolarHBondContact N-O 2.92Å; S308-A352 PolarHBondContact O-N 3.17Å |
| 309 | I | 93.3 | Very high | 82.1 | Confident | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 122.7 | 168.6 | -54.4 | 169.6 | 0 | 0 | 0 | 106.9 | V296 L298 I312 V325 C329 W332 I351 | V296-I309 HydrophobicContact CB-CD1 4.25Å; V296-I309 HydrophobicContact CG1-CD1 3.91Å; V296-I309 WeakPolarHBondContact O-CD1 3.41Å; L298-I309 HydrophobicContact CD1-CG1 4.48Å; L298-I309 HydrophobicContact CG-CG1 4.27Å; I309-I312 HydrophobicContact CG2-CD1 3.8Å; I309-I312 HydrophobicContact CG2-CG1 3.98Å; I309-V325 HydrophobicContact CB-CG1 4.43Å; I309-V325 HydrophobicContact CG2-CG1 4.06Å; I309-V325 VanDerWaalsContact O-CG1 3.29Å; I309-V325 WeakPolarHBondContact O-CG1 3.38Å; I309-C329 HydrophobicContact CB-CB 4.16Å; I309-C329 WeakPolarHBondContact CB-O 3.48Å; I309-C329 PolarHBondContact N-O 3.19Å; I309-W332 HydrophobicContact CD1-CB 4.34Å; I309-I351 HydrophobicContact CB-CD1 4.27Å; I309-I351 HydrophobicContact CG1-CD1 3.75Å; I309-I351 HydrophobicContact CG2-CD1 4.34Å |
| 310 | I | 93.1 | Very high | 82.1 | Confident | 82 Ų | 82 | 54 Ų | 54 | 42% | 0.421 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | -23.9 | -174.1 | 55.2 | 157.2 | 0 | 0 | 0 | 113.8 | T280 G350 A352 | T280-I310 HydrophobicContact CG2-CD1 3.67Å; I310-G350 VanDerWaalsContact CG1-O 3.28Å; I310-G350 WeakPolarHBondContact CG1-O 3.23Å; I310-G350 PolarHBondContact N-O 3.49Å; I310-A352 HydrophobicContact CB-CB 4.45Å; I310-A352 HydrophobicContact CD1-CB 4.16Å; I310-A352 HydrophobicContact CG1-CB 4.24Å; I310-A352 HydrophobicContact CG2-CB 3.42Å; I310-A352 VanDerWaalsContact CG2-CB 3.42Å |
| 311 | A | 91.6 | Very high | 82.3 | Confident | 42 Ų | 42 | 54.1 Ų | 54.1 | 35% | 0.347 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 137 | -176.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | V349 G350 | A311-V349 CarbonylContact O-C 3.44Å; A311-V349 WeakPolarHBondContact O-CA 3.47Å; A311-G350 PolarHBondContact N-O 3.36Å; A311-G350 PolarHBondContact O-N 3.25Å |
| 312 | I | 92.1 | Very high | 82.8 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 131.3 | 168.7 | -67.9 | 175 | 0 | 0 | 0 | 106.7 | V296 I309 Q323 V325 W332 K348 V349 | V296-I312 HydrophobicContact CB-CD1 4.1Å; V296-I312 HydrophobicContact CG2-CD1 3.94Å; I309-I312 HydrophobicContact CG2-CD1 3.8Å; I309-I312 HydrophobicContact CG2-CG1 3.98Å; I312-Q323 HydrophobicContact CB-CB 4.24Å; I312-Q323 HydrophobicContact CG2-CB 4.21Å; I312-Q323 HydrophobicContact CG2-CG 4.06Å; I312-Q323 WeakPolarHBondContact O-CB 3.44Å; I312-Q323 PolarHBondContact O-N 2.7Å; I312-V325 HydrophobicContact CB-CG2 4.04Å; I312-V325 HydrophobicContact CD1-CG2 4.46Å; I312-V325 HydrophobicContact CG1-CG2 4.15Å; I312-W332 HydrophobicContact CD1-CB 3.5Å; I312-W332 VanDerWaalsContact CD1-CB 3.5Å; I312-W332 HydrophobicContact CD1-CD2 3.26Å; I312-W332 HydrophobicContact CD1-CE3 3.6Å; I312-W332 HydrophobicContact CD1-CG 3.23Å; I312-W332 HydrophobicContact CD1-CZ3 4.37Å; I312-W332 HydrophobicContact CG1-CD2 4.48Å; I312-W332 HydrophobicContact CG2-CD2 4.42Å; I312-W332 HydrophobicContact CG2-CE3 4.5Å; I312-W332 HydrophobicContact CG2-CH2 3.96Å; I312-W332 HydrophobicContact CG2-CZ2 3.91Å; I312-W332 HydrophobicContact CG2-CZ3 4.27Å; I312-K348 CarbonylContact C-O 3.22Å; I312-K348 WeakPolarHBondContact CA-O 3.44Å; I312-V349 HydrophobicContact CG1-CG1 4.1Å; I312-V349 HydrophobicContact CG1-CG2 4.26Å |
| 313 | S | 90.5 | Very high | 83.6 | Confident | 22 Ų | 22 | 52.8 Ų | 52.8 | 15% | 0.154 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 150 | 173.1 | 54.2 | 0 | 0 | 0 | 0 | 109.9 | Q320 V321 Y347 K348 | S313-Q320 PolarHBondContact OG-OE1 3.42Å; S313-V321 VanDerWaalsContact CA-O 3.28Å; S313-V321 WeakPolarHBondContact CA-O 3.31Å; S313-Y347 CarbonylContact O-C 3.49Å; S313-Y347 VanDerWaalsContact O-CA 3.28Å; S313-Y347 WeakPolarHBondContact O-CA 3.43Å; S313-K348 PolarHBondContact N-O 3.14Å; S313-K348 PolarHBondContact O-N 3.1Å; S313-K348 WeakPolarHBondContact OG-CB 3.16Å; S313-K348 PolarHBondContact OG-O 2.95Å |
| 314 | A | 88.2 | Confident | 84.2 | Confident | 2 Ų | 2 | 59 Ų | 59 | 2% | 0.017 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 150.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | V321 M337 V346 Y347 | A314-V321 PolarHBondContact N-O 2.7Å; A314-V321 PolarHBondContact O-N 2.7Å; A314-M337 HydrophobicContact CB-CE 3.27Å; A314-M337 HydrophobicContact CB-SD 3.62Å; A314-V346 WeakPolarHBondContact CA-O 3.41Å; A314-Y347 HydrophobicContact CB-CD1 3.43Å; A314-Y347 VanDerWaalsContact CB-CD1 3.43Å; A314-Y347 HydrophobicContact CB-CE1 3.34Å; A314-Y347 HydrophobicContact CB-CG 4.45Å |
| 315 | G | 82.9 | Confident | 84.6 | Confident | 9 Ų | 9 | 55.4 Ų | 55.4 | 9% | 0.093 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 158.7 | -146.6 | 172 | 0 | 0 | 0 | 0 | 0 | 110.6 | T319 V346 | G315-T319 CarbonylContact C-O 3.57Å; G315-T319 VanDerWaalsContact CA-O 3.27Å; G315-T319 WeakPolarHBondContact CA-O 3.29Å; G315-V346 PolarHBondContact N-O 2.82Å; G315-V346 PolarHBondContact O-N 3.45Å |
| 316 | D | 77 | Confident | 84.6 | Confident | 33 Ų | 33 | 54 Ų | 54 | 18% | 0.176 | 32% | 0.319 | C | S | . | . | trans | -94.5 | -178.9 | 173.5 | 71.3 | 46.3 | 0 | 0 | 0 | 111.1 | T318 T319 Q320 L342 | D316-T318 PolarHBondContact O-N 3.07Å; D316-T318 VanDerWaalsContact O-N 3.17Å; D316-T318 VanDerWaalsContact OD1-CA 3.25Å; D316-T318 WeakPolarHBondContact OD1-CA 3.35Å; D316-T318 WeakPolarHBondContact OD1-CB 3.42Å; D316-T318 PolarHBondContact OD1-N 3.26Å; D316-T318 PolarHBondContact OD1-OG1 3.41Å; D316-T319 PolarHBondContact N-O 3.07Å; D316-T319 PolarHBondContact OD1-N 3.31Å; D316-T319 PolarHBondContact OD1-OG1 2.75Å; D316-T319 PolarHBondContact OD2-OG1 3.08Å; D316-Q320 PolarHBondContact O-NE2 3.16Å; D316-L342 HydrophobicContact CB-CD2 4.31Å | ||
| 317 | S | 69.4 | Low | 84.2 | Confident | 89 Ų | 89 | 60.9 Ų | 60.9 | 62% | 0.622 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -64 | -19.1 | -178 | -49.6 | 0 | 0 | 0 | 0 | 113.8 | H344 | S317-H344 PolarHBondContact OG-NE2 3.45Š|
| 318 | T | 67.5 | Low | 83.7 | Confident | 125 Ų | 125 | 66.9 Ų | 66.9 | 77% | 0.767 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -112.7 | -25.3 | -175 | 54.8 | 0 | 0 | 0 | 0 | 114 | D316 | D316-T318 PolarHBondContact O-N 3.07Å; D316-T318 VanDerWaalsContact O-N 3.17Å; D316-T318 VanDerWaalsContact OD1-CA 3.25Å; D316-T318 WeakPolarHBondContact OD1-CA 3.35Å; D316-T318 WeakPolarHBondContact OD1-CB 3.42Å; D316-T318 PolarHBondContact OD1-N 3.26Å; D316-T318 PolarHBondContact OD1-OG1 3.41Å |
| 319 | T | 75.6 | Confident | 83.3 | Confident | 77 Ų | 77 | 66.5 Ų | 66.5 | 47% | 0.472 | 38% | 0.381 | S | S | . | . | trans | -124.2 | 109.6 | -179.4 | 68.4 | 0 | 0 | 0 | 0 | 109 | G315 D316 | G315-T319 CarbonylContact C-O 3.57Å; G315-T319 VanDerWaalsContact CA-O 3.27Å; G315-T319 WeakPolarHBondContact CA-O 3.29Å; D316-T319 PolarHBondContact N-O 3.07Å; D316-T319 PolarHBondContact OD1-N 3.31Å; D316-T319 PolarHBondContact OD1-OG1 2.75Å; D316-T319 PolarHBondContact OD2-OG1 3.08Å | ||
| 320 | Q | 82.1 | Confident | 82.9 | Confident | 61 Ų | 61 | 67.2 Ų | 67.2 | 29% | 0.285 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 123.9 | 178.8 | -72.9 | -74.9 | -57 | 0 | 0 | 108.8 | S313 D316 V346 | S313-Q320 PolarHBondContact OG-OE1 3.42Å; D316-Q320 PolarHBondContact O-NE2 3.16Å; Q320-V346 PolarHBondContact NE2-O 3.13Å; Q320-V346 VanDerWaalsContact NE2-O 3.08Å |
| 321 | V | 83.8 | Confident | 82.8 | Confident | 90 Ų | 90 | 66.1 Ų | 66.1 | 55% | 0.545 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 117.8 | 178.7 | -176.4 | 0 | 0 | 0 | 0 | 108.9 | S313 A314 Q323 | S313-V321 VanDerWaalsContact CA-O 3.28Å; S313-V321 WeakPolarHBondContact CA-O 3.31Å; A314-V321 PolarHBondContact N-O 2.7Å; A314-V321 PolarHBondContact O-N 2.7Å; V321-Q323 PolarHBondContact O-NE2 2.73Å |
| 322 | S | 85.4 | Confident | 82.7 | Confident | 93 Ų | 93 | 64.7 Ų | 64.7 | 65% | 0.65 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 137.5 | 175 | -163.7 | 0 | 0 | 0 | 0 | 110.6 | ||
| 323 | Q | 86.3 | Confident | 82.4 | Confident | 44 Ų | 44 | 69.7 Ų | 69.7 | 21% | 0.206 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 151.7 | 173.7 | -59.4 | -58.8 | -64.2 | 0 | 0 | 109.6 | I312 V321 V325 W332 M337 | I312-Q323 HydrophobicContact CB-CB 4.24Å; I312-Q323 HydrophobicContact CG2-CB 4.21Å; I312-Q323 HydrophobicContact CG2-CG 4.06Å; I312-Q323 WeakPolarHBondContact O-CB 3.44Å; I312-Q323 PolarHBondContact O-N 2.7Å; V321-Q323 PolarHBondContact O-NE2 2.73Å; Q323-V325 PolarHBondContact O-N 3.47Å; Q323-W332 HydrophobicContact CB-CZ2 3.87Å; Q323-W332 HydrophobicContact CG-CH2 4.49Å; Q323-W332 HydrophobicContact CG-CZ2 3.79Å; Q323-M337 HydrophobicContact CG-CE 3.69Å |
| 324 | E | 83.6 | Confident | 82 | Confident | 183 Ų | 183 | 69.4 Ų | 69.4 | 86% | 0.855 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -68.9 | 127.4 | 171.5 | -68.2 | -179.3 | 173.5 | 0 | 0 | 109.3 | W332 | E324-W332 PolarHBondContact O-NE1 3.39Š|
| 325 | V | 86.4 | Confident | 81 | Confident | 35 Ų | 35 | 70.8 Ų | 70.8 | 21% | 0.212 | 40% | 0.403 | C | S | . | . | trans | -125.6 | 120.2 | 176.7 | -178 | 0 | 0 | 0 | 0 | 107.4 | I309 I312 Q323 C329 | I309-V325 HydrophobicContact CB-CG1 4.43Å; I309-V325 HydrophobicContact CG2-CG1 4.06Å; I309-V325 VanDerWaalsContact O-CG1 3.29Å; I309-V325 WeakPolarHBondContact O-CG1 3.38Å; I312-V325 HydrophobicContact CB-CG2 4.04Å; I312-V325 HydrophobicContact CD1-CG2 4.46Å; I312-V325 HydrophobicContact CG1-CG2 4.15Å; Q323-V325 PolarHBondContact O-N 3.47Å; V325-C329 HydrophobicContact CG1-CB 3.72Å | ||
| 326 | P | 81.2 | Confident | 80 | Confident | 84 Ų | 84 | 80.1 Ų | 80.1 | 55% | 0.545 | 44% | 0.441 | S | S | . | . | trans | -61 | 156 | 175.6 | -23.2 | 33.5 | 0 | 0 | 0 | 112.7 | C329 | P326-C329 HydrophobicContact CB-CB 4.39Å; P326-C329 WeakPolarHBondContact O-CB 3.22Å; P326-C329 PolarHBondContact O-N 3.32Å | ||
| 327 | E | 76.2 | Confident | 79.3 | Confident | 186 Ų | 186 | 80.6 Ų | 80.6 | 87% | 0.869 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | 139.1 | 171.2 | -69.5 | -174.7 | 173.8 | 0 | 0 | 111.1 | C329 | E327-C329 PolarHBondContact O-N 3.36Š|
| 328 | N | 79 | Confident | 78.6 | Confident | 129 Ų | 129 | 79.8 Ų | 79.8 | 69% | 0.69 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 31.1 | -177.1 | -58.9 | -40.9 | 0 | 0 | 0 | 114.4 | Q330 | N328-Q330 PolarHBondContact O-N 3.04Å; N328-Q330 PolarHBondContact O-NE2 2.69Å |
| 329 | C | 85 | Confident | 78 | Confident | 9 Ų | 9 | 82.5 Ų | 82.5 | 6% | 0.061 | 45% | 0.446 | C | S | . | . | B | Isolated β-bridge | trans | -59.3 | 125.8 | -179 | 177.9 | 0 | 0 | 0 | 0 | 111.9 | I309 V325 P326 E327 E331 | I309-C329 HydrophobicContact CB-CB 4.16Å; I309-C329 WeakPolarHBondContact CB-O 3.48Å; I309-C329 PolarHBondContact N-O 3.19Å; V325-C329 HydrophobicContact CG1-CB 3.72Å; P326-C329 HydrophobicContact CB-CB 4.39Å; P326-C329 WeakPolarHBondContact O-CB 3.22Å; P326-C329 PolarHBondContact O-N 3.32Å; E327-C329 PolarHBondContact O-N 3.36Å; C329-E331 PolarHBondContact SG-O 3.38Å |
| 330 | Q | 85.2 | Confident | 77 | Confident | 16 Ų | 16 | 84 Ų | 84 | 8% | 0.075 | 45% | 0.451 | C | S | . | . | S | Bend | trans | -104.2 | -25.9 | 173.5 | -60.3 | -62 | -54.2 | 0 | 0 | 112.2 | A297 L298 R304 F307 N328 | A297-Q330 WeakPolarHBondContact CA-O 3.39Å; L298-Q330 PolarHBondContact N-O 3.06Å; R304-Q330 HydrophobicContact CG-CG 4.03Å; F307-Q330 PolarHBondContact O-NE2 2.88Å; N328-Q330 PolarHBondContact O-N 3.04Å; N328-Q330 PolarHBondContact O-NE2 2.69Å |
| 331 | E | 89.1 | Confident | 75.9 | Confident | 59 Ų | 59 | 85.3 Ų | 85.3 | 28% | 0.276 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 122.6 | 176.8 | -177.4 | -178.1 | -174.9 | 0 | 0 | 108.3 | R295 V296 A297 C329 I333 | R295-E331 IonicContact CZ-OE1 3.62Å; R295-E331 IonicContact NH1-OE1 2.65Å; R295-E331 PolarHBondContact NH1-OE1 2.95Å; V296-E331 CarbonylContact O-C 3.56Å; V296-E331 WeakPolarHBondContact O-CA 3.41Å; A297-E331 HydrophobicContact CB-CG 4.38Å; C329-E331 PolarHBondContact SG-O 3.38Å; E331-I333 HydrophobicContact CG-CG1 4.36Å |
| 332 | W | 89.6 | Confident | 75 | Confident | 13 Ų | 13 | 83.6 Ų | 83.6 | 5% | 0.049 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 135 | 170.4 | 176.7 | 87 | 0 | 0 | 0 | 109.7 | L293 R295 V296 I309 I312 Q323 E324 G334 | L293-W332 HydrophobicContact CD2-CZ3 4.28Å; L293-W332 HydrophobicContact CG-CZ3 4.24Å; R295-W332 CarbonylContact C-O 3.57Å; R295-W332 VanDerWaalsContact CA-O 3.24Å; R295-W332 WeakPolarHBondContact CA-O 3.37Å; V296-W332 HydrophobicContact CB-CB 4.38Å; V296-W332 HydrophobicContact CB-CE3 4.4Å; V296-W332 HydrophobicContact CG2-CE3 3.97Å; V296-W332 HydrophobicContact CG2-CZ3 4.43Å; V296-W332 PolarHBondContact N-O 3.5Å; V296-W332 PolarHBondContact O-N 3.29Å; I309-W332 HydrophobicContact CD1-CB 4.34Å; I312-W332 HydrophobicContact CD1-CB 3.5Å; I312-W332 VanDerWaalsContact CD1-CB 3.5Å; I312-W332 HydrophobicContact CD1-CD2 3.26Å; I312-W332 HydrophobicContact CD1-CE3 3.6Å; I312-W332 HydrophobicContact CD1-CG 3.23Å; I312-W332 HydrophobicContact CD1-CZ3 4.37Å; I312-W332 HydrophobicContact CG1-CD2 4.48Å; I312-W332 HydrophobicContact CG2-CD2 4.42Å; I312-W332 HydrophobicContact CG2-CE3 4.5Å; I312-W332 HydrophobicContact CG2-CH2 3.96Å; I312-W332 HydrophobicContact CG2-CZ2 3.91Å; I312-W332 HydrophobicContact CG2-CZ3 4.27Å; Q323-W332 HydrophobicContact CB-CZ2 3.87Å; Q323-W332 HydrophobicContact CG-CH2 4.49Å; Q323-W332 HydrophobicContact CG-CZ2 3.79Å; E324-W332 PolarHBondContact O-NE1 3.39Å; W332-G334 VanDerWaalsContact CZ3-CA 3.49Å |
| 333 | I | 86.5 | Confident | 74.5 | Confident | 104 Ų | 104 | 86 Ų | 86 | 53% | 0.533 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 116.4 | 177.4 | -55.5 | 174.8 | 0 | 0 | 0 | 108.2 | E331 | E331-I333 HydrophobicContact CG-CG1 4.36Å |
| 334 | G | 81.6 | Confident | 74.3 | Confident | 16 Ų | 16 | 86 Ų | 86 | 17% | 0.165 | 47% | 0.474 | C | S | . | . | trans | -94.3 | -158.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114 | Y294 W332 | Y294-G334 PolarHBondContact O-N 3.12Å; W332-G334 VanDerWaalsContact CZ3-CA 3.49Å | ||
| 335 | G | 66.8 | Low | 74.3 | Confident | 31 Ų | 31 | 78.4 Ų | 78.4 | 32% | 0.32 | 44% | 0.437 | S | S | . | . | trans | 102.4 | 6.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 336 | K | 62.1 | Low | 74.4 | Confident | 206 Ų | 206 | 77.3 Ų | 77.3 | 90% | 0.896 | 43% | 0.431 | S | S | * | . | trans | -94.2 | 25.1 | 176.7 | -63.3 | -176.3 | -177.8 | 174.2 | 0 | 114.1 | ||||
| 337 | M | 62.8 | Low | 74.9 | Confident | 42 Ų | 42 | 73.4 Ų | 73.4 | 21% | 0.207 | 41% | 0.405 | C | S | . | . | trans | -96.4 | 135 | -178.9 | -66.9 | 177 | -176.1 | 0 | 0 | 110.8 | A314 Q323 Q339 | A314-M337 HydrophobicContact CB-CE 3.27Å; A314-M337 HydrophobicContact CB-SD 3.62Å; Q323-M337 HydrophobicContact CG-CE 3.69Å; M337-Q339 PolarHBondContact O-N 2.67Å | ||
| 338 | A | 55.3 | Low | 75.7 | Confident | 72 Ų | 72 | 69 Ų | 69 | 60% | 0.595 | 38% | 0.383 | S | S | * | . | trans | -63.1 | 133.5 | 169 | 0 | 0 | 0 | 0 | 0 | 108.9 | N340 | A338-N340 PolarHBondContact O-N 3.2Š| ||
| 339 | Q | 55.2 | Low | 76.4 | Confident | 182 Ų | 182 | 62.9 Ų | 62.9 | 85% | 0.85 | 35% | 0.35 | S | S | * | . | trans | -67.9 | 83.4 | 169.4 | -70.1 | -166.6 | -3.1 | 0 | 0 | 108.7 | M337 | M337-Q339 PolarHBondContact O-N 2.67Š| ||
| 340 | N | 53.9 | Low | 76.8 | Confident | 109 Ų | 109 | 62.7 Ų | 62.7 | 58% | 0.583 | 35% | 0.35 | S | S | * | . | trans | -70.2 | 134.7 | 162.5 | -65.4 | -10.1 | 0 | 0 | 0 | 105.7 | A338 L342 | A338-N340 PolarHBondContact O-N 3.2Å; N340-L342 HydrophobicContact CB-CD1 4.38Å; N340-L342 HydrophobicContact CB-CG 4.15Å; N340-L342 PolarHBondContact O-N 2.63Å | ||
| 341 | G | 58.5 | Low | 77.3 | Confident | 88 Ų | 88 | 62 Ų | 62 | 91% | 0.907 | 35% | 0.346 | S | S | * | . | trans | -66.4 | 54.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 342 | L | 65.4 | Low | 77.5 | Confident | 54 Ų | 54 | 59.4 Ų | 59.4 | 28% | 0.283 | 34% | 0.335 | S | S | . | . | trans | -79.4 | 135.3 | 176.7 | -64.9 | 171.8 | 0 | 0 | 0 | 108.9 | A290 D316 N340 H344 Y345 | A290-L342 VanDerWaalsContact CB-O 3.27Å; A290-L342 WeakPolarHBondContact CB-O 3.2Å; D316-L342 HydrophobicContact CB-CD2 4.31Å; N340-L342 HydrophobicContact CB-CD1 4.38Å; N340-L342 HydrophobicContact CB-CG 4.15Å; N340-L342 PolarHBondContact O-N 2.63Å; L342-H344 PolarHBondContact O-N 3.49Å; L342-Y345 HydrophobicContact CD1-CD1 4.31Å; L342-Y345 HydrophobicContact CD1-CE1 3.81Å | ||
| 343 | D | 74.9 | Confident | 77.6 | Confident | 145 Ų | 145 | 58.8 Ų | 58.8 | 78% | 0.775 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -69.9 | -21.9 | 174.9 | -67.8 | -25.4 | 0 | 0 | 0 | 112.3 | A290 | A290-D343 PolarHBondContact N-O 2.78Š|
| 344 | H | 80.9 | Confident | 77.7 | Confident | 43 Ų | 43 | 58.1 Ų | 58.1 | 20% | 0.199 | 33% | 0.33 | C | S | . | . | trans | -149.8 | 152.9 | -179.7 | 69.3 | -93 | 0 | 0 | 0 | 112.9 | C287 K288 S317 L342 | C287-H344 WeakPolarHBondContact O-CA 3.44Å; C287-H344 VanDerWaalsContact O-CB 3.24Å; C287-H344 WeakPolarHBondContact O-CB 3.19Å; K288-H344 HydrophobicContact CD-CB 4.27Å; K288-H344 HydrophobicContact CG-CB 3.49Å; K288-H344 VanDerWaalsContact CG-CB 3.49Å; S317-H344 PolarHBondContact OG-NE2 3.45Å; L342-H344 PolarHBondContact O-N 3.49Å | ||
| 345 | Y | 85.5 | Confident | 77.9 | Confident | 24 Ų | 24 | 57.4 Ų | 57.4 | 9% | 0.094 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 141.2 | 170.2 | -88.1 | -74.6 | 0 | 0 | 0 | 110.7 | C287 A290 L342 Y347 | C287-Y345 PolarHBondContact N-O 3.43Å; C287-Y345 PolarHBondContact O-N 3.27Å; C287-Y345 VanDerWaalsContact O-N 3.11Å; A290-Y345 HydrophobicContact CB-CD2 3.66Å; A290-Y345 HydrophobicContact CB-CE2 4.04Å; L342-Y345 HydrophobicContact CD1-CD1 4.31Å; L342-Y345 HydrophobicContact CD1-CE1 3.81Å; Y345-Y347 HydrophobicContact CG-CE2 4.28Å |
| 346 | V | 88.4 | Confident | 78.6 | Confident | 12 Ų | 12 | 61.8 Ų | 61.8 | 7% | 0.073 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 119.1 | 169.7 | -175.9 | 0 | 0 | 0 | 0 | 108.8 | L285 T286 A314 G315 Q320 | L285-V346 CarbonylContact O-C 3.55Å; L285-V346 VanDerWaalsContact O-CA 3.29Å; L285-V346 WeakPolarHBondContact O-CA 3.25Å; T286-V346 HydrophobicContact CG2-CG2 4.4Å; A314-V346 WeakPolarHBondContact CA-O 3.41Å; G315-V346 PolarHBondContact N-O 2.82Å; G315-V346 PolarHBondContact O-N 3.45Å; Q320-V346 PolarHBondContact NE2-O 3.13Å; Q320-V346 VanDerWaalsContact NE2-O 3.08Å |
| 347 | Y | 91.3 | Very high | 79.2 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 0% | 0.004 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 137.5 | 172.8 | -62.9 | -85.3 | 0 | 0 | 0 | 110.1 | A284 L285 R291 M292 L293 S313 A314 Y345 F369 | A284-Y347 CarbonylContact C-O 3.54Å; A284-Y347 VanDerWaalsContact CA-O 3.3Å; A284-Y347 WeakPolarHBondContact CA-O 3.48Å; L285-Y347 PolarHBondContact N-O 3.26Å; L285-Y347 PolarHBondContact O-N 3.02Å; R291-Y347 WeakPolarHBondContact O-CE2 3.24Å; R291-Y347 PolarHBondContact O-OH 3.01Å; M292-Y347 WeakPolarHBondContact CA-OH 3.42Å; L293-Y347 HydrophobicContact CB-CD1 3.88Å; L293-Y347 HydrophobicContact CB-CD2 4.16Å; L293-Y347 HydrophobicContact CB-CE1 3.56Å; L293-Y347 HydrophobicContact CB-CE2 3.85Å; L293-Y347 HydrophobicContact CB-CG 4.18Å; L293-Y347 HydrophobicContact CD2-CD1 3.83Å; L293-Y347 HydrophobicContact CD2-CE1 4.35Å; L293-Y347 HydrophobicContact CD2-CG 3.95Å; L293-Y347 PolarHBondContact N-OH 3.48Å; L293-Y347 VanDerWaalsContact N-OH 3.08Å; S313-Y347 CarbonylContact O-C 3.49Å; S313-Y347 VanDerWaalsContact O-CA 3.28Å; S313-Y347 WeakPolarHBondContact O-CA 3.43Å; A314-Y347 HydrophobicContact CB-CD1 3.43Å; A314-Y347 VanDerWaalsContact CB-CD1 3.43Å; A314-Y347 HydrophobicContact CB-CE1 3.34Å; A314-Y347 HydrophobicContact CB-CG 4.45Å; Y345-Y347 HydrophobicContact CG-CE2 4.28Å; Y347-F369 HydrophobicContact CD2-CE1 4.31Å; Y347-F369 HydrophobicContact CE2-CE1 4.2Å |
| 348 | K | 92.2 | Very high | 79.8 | Confident | 95 Ų | 95 | 57.6 Ų | 57.6 | 41% | 0.413 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 121.8 | 165.5 | -54.4 | 177.4 | 178.1 | 178.8 | 0 | 109.9 | F283 I312 S313 | F283-K348 CarbonylContact O-C 3.52Å; F283-K348 VanDerWaalsContact O-CA 3.25Å; F283-K348 WeakPolarHBondContact O-CA 3.36Å; I312-K348 CarbonylContact C-O 3.22Å; I312-K348 WeakPolarHBondContact CA-O 3.44Å; S313-K348 PolarHBondContact N-O 3.14Å; S313-K348 PolarHBondContact O-N 3.1Å; S313-K348 WeakPolarHBondContact OG-CB 3.16Å; S313-K348 PolarHBondContact OG-O 2.95Å |
| 349 | V | 94.2 | Very high | 80.4 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 122.1 | -178 | -178.9 | 0 | 0 | 0 | 0 | 109.4 | T282 F283 L293 V296 A311 I312 I351 F367 | T282-V349 CarbonylContact C-O 3.55Å; T282-V349 WeakPolarHBondContact CA-O 3.43Å; F283-V349 HydrophobicContact CB-CB 4.39Å; F283-V349 PolarHBondContact N-O 2.99Å; F283-V349 PolarHBondContact O-N 3.35Å; L293-V349 HydrophobicContact CD2-CG2 4.42Å; V296-V349 HydrophobicContact CG1-CG1 4.03Å; V296-V349 HydrophobicContact CG2-CG2 4.35Å; A311-V349 CarbonylContact O-C 3.44Å; A311-V349 WeakPolarHBondContact O-CA 3.47Å; I312-V349 HydrophobicContact CG1-CG1 4.1Å; I312-V349 HydrophobicContact CG1-CG2 4.26Å; V349-I351 HydrophobicContact CG1-CD1 3.92Å; V349-I351 HydrophobicContact CG1-CG1 4.42Å; V349-F367 HydrophobicContact CB-CE1 3.98Å; V349-F367 HydrophobicContact CG1-CE1 4.03Å; V349-F367 HydrophobicContact CG2-CD1 4.36Å; V349-F367 HydrophobicContact CG2-CE1 3.87Å |
| 350 | G | 93.8 | Very high | 81.2 | Confident | 5 Ų | 5 | 46.7 Ų | 46.7 | 5% | 0.052 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 124.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | W281 I310 A311 | W281-G350 CarbonylContact O-C 3.46Å; W281-G350 VanDerWaalsContact O-CA 3.31Å; W281-G350 WeakPolarHBondContact O-CA 3.48Å; I310-G350 VanDerWaalsContact CG1-O 3.28Å; I310-G350 WeakPolarHBondContact CG1-O 3.23Å; I310-G350 PolarHBondContact N-O 3.49Å; A311-G350 PolarHBondContact N-O 3.36Å; A311-G350 PolarHBondContact O-N 3.25Å |
| 351 | I | 94.6 | Very high | 82.3 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 123.9 | 175.1 | -54.1 | -59.7 | 0 | 0 | 0 | 108.3 | T280 W281 F283 L298 F307 S308 I309 V349 I365 | T280-I351 CarbonylContact C-O 3.59Å; T280-I351 VanDerWaalsContact CA-O 3.29Å; T280-I351 WeakPolarHBondContact CA-O 3.37Å; W281-I351 PolarHBondContact N-O 3.35Å; W281-I351 PolarHBondContact O-N 3.08Å; F283-I351 HydrophobicContact CD2-CG1 4.12Å; F283-I351 HydrophobicContact CE2-CG1 3.96Å; L298-I351 HydrophobicContact CD2-CD1 4.32Å; L298-I351 HydrophobicContact CD2-CG2 4.43Å; F307-I351 HydrophobicContact CD1-CG2 4.47Å; S308-I351 CarbonylContact O-C 3.19Å; S308-I351 WeakPolarHBondContact O-CA 3.25Å; I309-I351 HydrophobicContact CB-CD1 4.27Å; I309-I351 HydrophobicContact CG1-CD1 3.75Å; I309-I351 HydrophobicContact CG2-CD1 4.34Å; V349-I351 HydrophobicContact CG1-CD1 3.92Å; V349-I351 HydrophobicContact CG1-CG1 4.42Å; I351-I365 HydrophobicContact CD1-CG2 4.34Å; I351-I365 HydrophobicContact CG1-CD1 3.89Å; I351-I365 HydrophobicContact CG1-CG1 4.26Å; I351-I365 HydrophobicContact CG2-CD1 4.43Å |
| 352 | A | 93.4 | Very high | 83.3 | Confident | 5 Ų | 5 | 41.2 Ų | 41.2 | 4% | 0.041 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 146 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q279 F307 S308 I310 | Q279-A352 CarbonylContact O-C 3.53Å; Q279-A352 WeakPolarHBondContact O-CA 3.31Å; F307-A352 CarbonylContact C-O 3.51Å; F307-A352 VanDerWaalsContact CA-O 3.31Å; F307-A352 WeakPolarHBondContact CA-O 3.26Å; S308-A352 PolarHBondContact N-O 2.92Å; S308-A352 PolarHBondContact O-N 3.17Å; I310-A352 HydrophobicContact CB-CB 4.45Å; I310-A352 HydrophobicContact CD1-CB 4.16Å; I310-A352 HydrophobicContact CG1-CB 4.24Å; I310-A352 HydrophobicContact CG2-CB 3.42Å; I310-A352 VanDerWaalsContact CG2-CB 3.42Å |
| 353 | F | 92.1 | Very high | 84.2 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 0% | 0.004 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 137.9 | 166.7 | 170.9 | -94.9 | 0 | 0 | 0 | 110.5 | H278 Q279 W281 H306 F307 T355 F361 I381 | H278-F353 VanDerWaalsContact CA-O 3.3Å; H278-F353 WeakPolarHBondContact CA-O 3.34Å; H278-F353 PolarHBondContact ND1-O 3.25Å; Q279-F353 HydrophobicContact CB-CB 4.5Å; Q279-F353 HydrophobicContact CB-CD1 4.48Å; Q279-F353 PolarHBondContact N-O 2.87Å; Q279-F353 PolarHBondContact O-N 2.75Å; W281-F353 HydrophobicContact CH2-CB 4.12Å; W281-F353 HydrophobicContact CZ3-CB 3.57Å; W281-F353 HydrophobicContact CZ3-CG 4.49Å; H306-F353 HydrophobicContact CB-CD2 3.84Å; H306-F353 HydrophobicContact CB-CE2 3.6Å; H306-F353 CarbonylContact O-C 3.23Å; H306-F353 WeakPolarHBondContact O-CA 3.34Å; F307-F353 HydrophobicContact CD1-CB 4.06Å; F307-F353 AromaticContact CD1-CD2 3.94Å; F307-F353 HydrophobicContact CD1-CD2 3.94Å; F307-F353 HydrophobicContact CD1-CG 4.49Å; F307-F353 HydrophobicContact CD2-CD2 4.1Å; F307-F353 HydrophobicContact CE1-CB 3.96Å; F307-F353 AromaticContact CE1-CD2 3.54Å; F307-F353 HydrophobicContact CE1-CD2 3.54Å; F307-F353 HydrophobicContact CE1-CE2 4.44Å; F307-F353 HydrophobicContact CE1-CG 4.12Å; F307-F353 AromaticContact CE2-CD2 3.73Å; F307-F353 HydrophobicContact CE2-CD2 3.73Å; F307-F353 AromaticContact CE2-CE2 3.97Å; F307-F353 HydrophobicContact CE2-CE2 3.97Å; F307-F353 HydrophobicContact CG-CD2 4.21Å; F307-F353 AromaticContact CZ-CD2 3.43Å; F307-F353 HydrophobicContact CZ-CD2 3.43Å; F307-F353 VanDerWaalsContact CZ-CD2 3.43Å; F307-F353 AromaticContact CZ-CE2 3.88Å; F307-F353 HydrophobicContact CZ-CE2 3.88Å; F307-F353 HydrophobicContact CZ-CG 4.36Å; F353-T355 HydrophobicContact CE1-CG2 3.47Å; F353-T355 VanDerWaalsContact CE1-CG2 3.47Å; F353-T355 HydrophobicContact CZ-CG2 3.55Å; F353-F361 HydrophobicContact CE2-CB 3.63Å; F353-F361 AromaticContact CE2-CD1 3.94Å; F353-F361 HydrophobicContact CE2-CD1 3.94Å; F353-F361 AromaticContact CE2-CD2 3.78Å; F353-F361 HydrophobicContact CE2-CD2 3.78Å; F353-F361 HydrophobicContact CE2-CE2 4.4Å; F353-F361 AromaticContact CE2-CG 3.51Å; F353-F361 HydrophobicContact CE2-CG 3.51Å; F353-F361 HydrophobicContact CZ-CB 4.09Å; F353-F361 HydrophobicContact CZ-CD1 4.26Å; F353-F361 AromaticContact CZ-CD2 3.39Å; F353-F361 HydrophobicContact CZ-CD2 3.39Å; F353-F361 AromaticContact CZ-CE2 3.77Å; F353-F361 HydrophobicContact CZ-CE2 3.77Å; F353-F361 AromaticContact CZ-CG 3.66Å; F353-F361 HydrophobicContact CZ-CG 3.66Å; F353-F361 HydrophobicContact CZ-CZ 4.34Å; F353-I381 HydrophobicContact CD1-CD1 3.59Å; F353-I381 HydrophobicContact CD1-CG1 4.32Å; F353-I381 HydrophobicContact CD1-CG2 3.82Å; F353-I381 HydrophobicContact CD2-CG2 3.81Å; F353-I381 HydrophobicContact CE1-CB 4.46Å; F353-I381 HydrophobicContact CE1-CD1 3.75Å; F353-I381 HydrophobicContact CE1-CG1 4.07Å; F353-I381 HydrophobicContact CE1-CG2 3.59Å; F353-I381 HydrophobicContact CE2-CG2 3.59Å; F353-I381 HydrophobicContact CG-CD1 4.41Å; F353-I381 HydrophobicContact CG-CG2 3.9Å; F353-I381 HydrophobicContact CZ-CG2 3.47Å; F353-I381 VanDerWaalsContact CZ-CG2 3.47Å |
| 354 | N | 89.7 | Confident | 84.8 | Confident | 89 Ų | 89 | 32.1 Ų | 32.1 | 48% | 0.476 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 130 | 175.5 | -171.3 | 22.9 | 0 | 0 | 0 | 110.7 | S277 H306 | S277-N354 WeakPolarHBondContact O-CA 3.32Å; S277-N354 PolarHBondContact O-OD1 2.91Å; H306-N354 WeakPolarHBondContact CA-O 3.5Å; H306-N354 WeakPolarHBondContact CB-O 3.46Å; H306-N354 PolarHBondContact ND1-O 3.19Å; H306-N354 PolarHBondContact O-N 2.91Å |
| 355 | T | 84 | Confident | 85.3 | Confident | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.012 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 153.3 | 173.5 | -174.4 | 0 | 0 | 0 | 0 | 111.1 | K275 K276 S277 F353 I357 F361 A383 | K275-T355 CarbonylContact O-C 3.47Å; K276-T355 WeakPolarHBondContact CA-O 3.16Å; S277-T355 PolarHBondContact N-O 3.11Å; S277-T355 PolarHBondContact O-N 3.32Å; S277-T355 VanDerWaalsContact O-N 3.16Å; S277-T355 VanDerWaalsContact OG-CG2 3.22Å; S277-T355 WeakPolarHBondContact OG-CG2 3.48Å; F353-T355 HydrophobicContact CE1-CG2 3.47Å; F353-T355 VanDerWaalsContact CE1-CG2 3.47Å; F353-T355 HydrophobicContact CZ-CG2 3.55Å; T355-I357 WeakPolarHBondContact CG2-O 3.27Å; T355-I357 WeakPolarHBondContact OG1-CG1 3.24Å; T355-I357 PolarHBondContact OG1-N 3.08Å; T355-I357 PolarHBondContact OG1-O 2.68Å; T355-F361 HydrophobicContact CG2-CE2 4.22Å; T355-F361 WeakPolarHBondContact OG1-CZ 3.13Å; T355-A383 HydrophobicContact CG2-CB 4.18Å |
| 356 | E | 82.2 | Confident | 85.7 | Confident | 123 Ų | 123 | 29 Ų | 29 | 58% | 0.575 | 14% | 0.143 | S | C | * | . | S | Bend | trans | -113.2 | 1.4 | 168.4 | -58.5 | -159.8 | 137.7 | 0 | 0 | 112.5 | K275 K276 | K275-E356 CarbonylContact O-C 3.53Å; K275-E356 VanDerWaalsContact O-C 3.23Å; K275-E356 WeakPolarHBondContact O-CA 3.44Å; K276-E356 WeakPolarHBondContact CE-OE1 3.3Å; K276-E356 HydrophobicContact CG-CG 4.44Å; K276-E356 IonicContact NZ-OE1 3.59Å; K276-E356 PolarHBondContact NZ-OE1 3.15Å; K276-E356 VanDerWaalsContact NZ-OE1 3.08Å |
| 357 | I | 74.8 | Confident | 86 | Confident | 96 Ų | 96 | 28.4 Ų | 28.4 | 49% | 0.492 | 14% | 0.139 | S | C | . | . | S | Bend | trans | -120 | 150.7 | -178.9 | 67.6 | 176.2 | 0 | 0 | 0 | 110.5 | T355 F361 | T355-I357 WeakPolarHBondContact CG2-O 3.27Å; T355-I357 WeakPolarHBondContact OG1-CG1 3.24Å; T355-I357 PolarHBondContact OG1-N 3.08Å; T355-I357 PolarHBondContact OG1-O 2.68Å; I357-F361 HydrophobicContact CD1-CZ 4.17Å; I357-F361 HydrophobicContact CG1-CZ 3.82Å |
| 358 | F | 74.7 | Confident | 86.1 | Confident | 64 Ų | 64 | 29.3 Ų | 29.3 | 28% | 0.281 | 14% | 0.144 | S | C | . | . | trans | -72.7 | 148.7 | 164.4 | -64.8 | -47.8 | 0 | 0 | 0 | 110 | K275 A383 A384 Q444 | K275-F358 HydrophobicContact CB-CE1 4.3Å; K275-F358 HydrophobicContact CB-CZ 4.39Å; K275-F358 HydrophobicContact CD-CD2 4.36Å; K275-F358 HydrophobicContact CD-CE2 3.97Å; K275-F358 HydrophobicContact CD-CZ 4.22Å; K275-F358 HydrophobicContact CG-CD1 3.97Å; K275-F358 HydrophobicContact CG-CD2 3.89Å; K275-F358 HydrophobicContact CG-CE1 3.54Å; K275-F358 HydrophobicContact CG-CE2 3.45Å; K275-F358 VanDerWaalsContact CG-CE2 3.45Å; K275-F358 HydrophobicContact CG-CG 4.14Å; K275-F358 HydrophobicContact CG-CZ 3.26Å; F358-A383 CarbonylContact C-O 3.55Å; F358-A383 WeakPolarHBondContact CA-O 3.4Å; F358-A383 VanDerWaalsContact CB-O 3.25Å; F358-A383 WeakPolarHBondContact CB-O 3.35Å; F358-A383 HydrophobicContact CD1-CB 4.35Å; F358-A383 WeakPolarHBondContact CD1-O 3.4Å; F358-A384 VanDerWaalsContact CE1-C 3.42Å; F358-A384 VanDerWaalsContact CE1-O 3.23Å; F358-A384 WeakPolarHBondContact CE1-O 3.49Å; F358-Q444 HydrophobicContact CB-CG 4.42Å | ||
| 359 | G | 68.2 | Low | 85.9 | Confident | 13 Ų | 13 | 25.3 Ų | 25.3 | 13% | 0.134 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 154 | 175 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | F361 A383 | G359-F361 WeakPolarHBondContact O-CE2 3.28Å; G359-A383 PolarHBondContact N-O 2.92Å; G359-A383 PolarHBondContact O-N 3.3Å |
| 360 | T | 72.2 | Confident | 85.5 | Confident | 12 Ų | 12 | 27.6 Ų | 27.6 | 7% | 0.074 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 129.8 | 176.3 | -62.9 | 0 | 0 | 0 | 0 | 109.3 | M380 I381 D382 T443 Q444 | T360-M380 HydrophobicContact CG2-CG 4.21Å; T360-I381 WeakPolarHBondContact CA-O 3.33Å; T360-D382 WeakPolarHBondContact CB-OD1 3.29Å; T360-D382 WeakPolarHBondContact CG2-OD1 3.37Å; T360-D382 PolarHBondContact OG1-OD1 2.94Å; T360-T443 HydrophobicContact CG2-CG2 3.69Å; T360-T443 VanDerWaalsContact OG1-CB 3.22Å; T360-T443 WeakPolarHBondContact OG1-CB 3.33Å; T360-Q444 PolarHBondContact OG1-N 3.49Å |
| 361 | F | 77.4 | Confident | 85 | Confident | 7 Ų | 7 | 32.1 Ų | 32.1 | 3% | 0.031 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 124.2 | -174.7 | -55.4 | -94.9 | 0 | 0 | 0 | 109.1 | H303 H306 F307 F353 T355 I357 G359 M380 I381 A383 | H303-F361 HydrophobicContact CB-CD1 4.25Å; H303-F361 AromaticContact CE1-CD1 3.96Å; H303-F361 AromaticContact CG-CD1 3.83Å; H303-F361 AromaticContact ND1-CD1 3.53Å; H306-F361 AromaticContact CD2-CD1 3.82Å; H306-F361 AromaticContact CD2-CE1 3.47Å; H306-F361 VanDerWaalsContact CD2-CE1 3.47Å; H306-F361 WeakPolarHBondContact CD2-CE1 3.4Å; H306-F361 AromaticContact CG-CE1 3.94Å; H306-F361 AromaticContact NE2-CE1 3.59Å; F307-F361 HydrophobicContact CE2-CB 3.87Å; F307-F361 HydrophobicContact CZ-CB 3.94Å; F353-F361 HydrophobicContact CE2-CB 3.63Å; F353-F361 AromaticContact CE2-CD1 3.94Å; F353-F361 HydrophobicContact CE2-CD1 3.94Å; F353-F361 AromaticContact CE2-CD2 3.78Å; F353-F361 HydrophobicContact CE2-CD2 3.78Å; F353-F361 HydrophobicContact CE2-CE2 4.4Å; F353-F361 AromaticContact CE2-CG 3.51Å; F353-F361 HydrophobicContact CE2-CG 3.51Å; F353-F361 HydrophobicContact CZ-CB 4.09Å; F353-F361 HydrophobicContact CZ-CD1 4.26Å; F353-F361 AromaticContact CZ-CD2 3.39Å; F353-F361 HydrophobicContact CZ-CD2 3.39Å; F353-F361 AromaticContact CZ-CE2 3.77Å; F353-F361 HydrophobicContact CZ-CE2 3.77Å; F353-F361 AromaticContact CZ-CG 3.66Å; F353-F361 HydrophobicContact CZ-CG 3.66Å; F353-F361 HydrophobicContact CZ-CZ 4.34Å; T355-F361 HydrophobicContact CG2-CE2 4.22Å; T355-F361 WeakPolarHBondContact OG1-CZ 3.13Å; I357-F361 HydrophobicContact CD1-CZ 4.17Å; I357-F361 HydrophobicContact CG1-CZ 3.82Å; G359-F361 WeakPolarHBondContact O-CE2 3.28Å; F361-M380 WeakPolarHBondContact O-CA 3.45Å; F361-I381 HydrophobicContact CB-CG2 3.79Å; F361-I381 HydrophobicContact CD2-CG2 4.28Å; F361-I381 HydrophobicContact CG-CG2 4.45Å; F361-I381 PolarHBondContact N-O 3.45Å; F361-I381 PolarHBondContact O-N 3.11Å; F361-A383 HydrophobicContact CE2-CB 4.42Å |
| 362 | R | 79.6 | Confident | 84.5 | Confident | 75 Ų | 75 | 37.1 Ų | 37.1 | 28% | 0.283 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 136.4 | 178.7 | -66.4 | 179.6 | 173.8 | 155.7 | 2.4 | 109.7 | H303 M380 Q440 D462 | H303-R362 PolarHBondContact CD2-O 3.46Å; R362-M380 HydrophobicContact CG-CB 4.24Å; R362-M380 HydrophobicContact CG-CG 3.88Å; R362-Q440 PolarHBondContact NH2-O 3.31Å; R362-D462 IonicContact CZ-OD1 2.68Å; R362-D462 VanDerWaalsContact CZ-OD1 3.27Å; R362-D462 IonicContact NH1-OD1 2.57Å; R362-D462 PolarHBondContact NH1-OD1 3Å; R362-D462 IonicContact NH2-OD1 2.72Å; R362-D462 PolarHBondContact NH2-OD1 3.34Å |
| 363 | Q | 84.9 | Confident | 84.3 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 142.9 | 175.3 | -174.9 | 58.6 | -76 | 0 | 0 | 110.8 | L298 Y300 F307 V379 | L298-Q363 HydrophobicContact CB-CG 4.28Å; L298-Q363 HydrophobicContact CD2-CG 3.96Å; Y300-Q363 VanDerWaalsContact N-OE1 3.11Å; Y300-Q363 PolarHBondContact O-NE2 2.99Å; Y300-Q363 PolarHBondContact O-OE1 3.41Å; F307-Q363 HydrophobicContact CB-CG 4.43Å; F307-Q363 HydrophobicContact CD1-CB 4.06Å; F307-Q363 HydrophobicContact CD1-CG 4.33Å; F307-Q363 HydrophobicContact CD2-CB 3.94Å; F307-Q363 HydrophobicContact CD2-CG 4.26Å; F307-Q363 HydrophobicContact CE1-CB 3.94Å; F307-Q363 HydrophobicContact CE2-CB 3.81Å; F307-Q363 HydrophobicContact CG-CB 4.05Å; F307-Q363 HydrophobicContact CG-CG 4.1Å; F307-Q363 HydrophobicContact CZ-CB 3.82Å; Q363-V379 HydrophobicContact CB-CG2 3.92Å; Q363-V379 PolarHBondContact N-O 2.85Å; Q363-V379 WeakPolarHBondContact O-CG2 3.35Å; Q363-V379 PolarHBondContact O-N 2.97Å |
| 364 | T | 86.6 | Confident | 84.2 | Confident | 7 Ų | 7 | 39 Ų | 39 | 4% | 0.043 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 119.3 | 173.7 | -59.8 | 0 | 0 | 0 | 0 | 108.6 | L299 Y300 V366 M376 R378 | L299-T364 HydrophobicContact CB-CG2 4.28Å; L299-T364 WeakPolarHBondContact CB-O 3.22Å; L299-T364 HydrophobicContact CD2-CG2 3.98Å; L299-T364 PolarHBondContact N-O 2.73Å; Y300-T364 WeakPolarHBondContact CE2-OG1 3.49Å; T364-V366 HydrophobicContact CG2-CG2 4.22Å; T364-M376 HydrophobicContact CG2-CB 3.97Å; T364-M376 HydrophobicContact CG2-SD 4.3Å; T364-R378 HydrophobicContact CG2-CG 4.39Å |
| 365 | I | 92.6 | Very high | 84.3 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 131.1 | 176.2 | -55.5 | 146.8 | 0 | 0 | 0 | 107.6 | F283 V296 L298 I351 F367 M376 Q377 V379 | F283-I365 HydrophobicContact CD2-CD1 4.37Å; F283-I365 HydrophobicContact CE1-CD1 4.45Å; F283-I365 HydrophobicContact CE2-CD1 3.4Å; F283-I365 HydrophobicContact CZ-CD1 3.45Å; F283-I365 VanDerWaalsContact CZ-CD1 3.45Å; V296-I365 HydrophobicContact CG1-CG2 4.24Å; L298-I365 HydrophobicContact CD2-CB 4.42Å; L298-I365 HydrophobicContact CD2-CG1 3.69Å; L298-I365 HydrophobicContact CD2-CG2 4.47Å; I351-I365 HydrophobicContact CD1-CG2 4.34Å; I351-I365 HydrophobicContact CG1-CD1 3.89Å; I351-I365 HydrophobicContact CG1-CG1 4.26Å; I351-I365 HydrophobicContact CG2-CD1 4.43Å; I365-F367 HydrophobicContact CB-CE2 4.32Å; I365-F367 HydrophobicContact CB-CZ 4.34Å; I365-F367 HydrophobicContact CG2-CD2 4.49Å; I365-F367 HydrophobicContact CG2-CE1 3.89Å; I365-F367 HydrophobicContact CG2-CE2 3.77Å; I365-F367 HydrophobicContact CG2-CZ 3.43Å; I365-F367 VanDerWaalsContact CG2-CZ 3.43Å; I365-M376 CarbonylContact O-C 3.55Å; I365-M376 VanDerWaalsContact O-CA 3.29Å; I365-M376 WeakPolarHBondContact O-CA 3.43Å; I365-Q377 PolarHBondContact N-O 2.97Å; I365-Q377 PolarHBondContact O-N 3.19Å; I365-V379 HydrophobicContact CD1-CB 4.47Å; I365-V379 HydrophobicContact CD1-CG1 3.72Å; I365-V379 HydrophobicContact CD1-CG2 3.9Å; I365-V379 HydrophobicContact CG1-CG2 4.48Å |
| 366 | V | 93.4 | Very high | 84.7 | Confident | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 132.5 | -176.1 | 178.9 | 0 | 0 | 0 | 0 | 109.3 | L239 L253 V296 A297 L299 T364 V374 L375 | L239-V366 HydrophobicContact CD2-CG1 3.75Å; L253-V366 HydrophobicContact CD2-CG1 4.39Å; L253-V366 HydrophobicContact CD2-CG2 4.48Å; V296-V366 CarbonylContact C-O 3.55Å; V296-V366 VanDerWaalsContact CA-O 3.28Å; V296-V366 WeakPolarHBondContact CA-O 3.41Å; A297-V366 PolarHBondContact N-O 2.97Å; A297-V366 PolarHBondContact O-N 2.85Å; L299-V366 HydrophobicContact CB-CG2 4.04Å; L299-V366 HydrophobicContact CD1-CG2 4.14Å; L299-V366 HydrophobicContact CD2-CG2 4.27Å; L299-V366 HydrophobicContact CG-CG2 4.39Å; T364-V366 HydrophobicContact CG2-CG2 4.22Å; V366-V374 HydrophobicContact CG1-CB 4.27Å; V366-V374 HydrophobicContact CG1-CG1 3.2Å; V366-L375 CarbonylContact C-O 3.51Å; V366-L375 WeakPolarHBondContact CA-O 3.32Å |
| 367 | F | 93.9 | Very high | 84.9 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 108.8 | 179.1 | -52.9 | -83.3 | 0 | 0 | 0 | 109.4 | F283 L285 L293 V296 V349 I365 F369 V374 L375 Q377 | F283-F367 HydrophobicContact CB-CZ 4.02Å; F283-F367 HydrophobicContact CD1-CZ 4.23Å; F283-F367 HydrophobicContact CD2-CZ 4.28Å; F283-F367 AromaticContact CG-CZ 3.91Å; F283-F367 HydrophobicContact CG-CZ 3.91Å; L285-F367 HydrophobicContact CD1-CB 4.21Å; L285-F367 HydrophobicContact CD1-CD1 3.54Å; L285-F367 HydrophobicContact CD1-CE1 3.96Å; L285-F367 HydrophobicContact CD1-CG 3.85Å; L293-F367 HydrophobicContact CD1-CB 3.88Å; V296-F367 HydrophobicContact CG1-CD1 4.08Å; V296-F367 HydrophobicContact CG1-CE1 4.06Å; V296-F367 HydrophobicContact CG2-CD1 3.96Å; V296-F367 HydrophobicContact CG2-CE1 4.49Å; V349-F367 HydrophobicContact CB-CE1 3.98Å; V349-F367 HydrophobicContact CG1-CE1 4.03Å; V349-F367 HydrophobicContact CG2-CD1 4.36Å; V349-F367 HydrophobicContact CG2-CE1 3.87Å; I365-F367 HydrophobicContact CB-CE2 4.32Å; I365-F367 HydrophobicContact CB-CZ 4.34Å; I365-F367 HydrophobicContact CG2-CD2 4.49Å; I365-F367 HydrophobicContact CG2-CE1 3.89Å; I365-F367 HydrophobicContact CG2-CE2 3.77Å; I365-F367 HydrophobicContact CG2-CZ 3.43Å; I365-F367 VanDerWaalsContact CG2-CZ 3.43Å; F367-F369 HydrophobicContact CB-CE2 4.12Å; F367-V374 WeakPolarHBondContact O-CG1 3.15Å; F367-L375 HydrophobicContact CB-CB 4.2Å; F367-L375 HydrophobicContact CB-CD2 4.17Å; F367-L375 HydrophobicContact CB-CG 4.43Å; F367-L375 HydrophobicContact CD2-CD2 4Å; F367-L375 HydrophobicContact CD2-CG 4.09Å; F367-L375 HydrophobicContact CG-CD2 4.39Å; F367-L375 PolarHBondContact N-O 2.9Å; F367-L375 PolarHBondContact O-N 3.31Å; F367-Q377 HydrophobicContact CE2-CB 4.11Å; F367-Q377 HydrophobicContact CE2-CG 3.82Å |
| 368 | D | 92.8 | Very high | 85.3 | Confident | 20 Ų | 20 | 30 Ų | 30 | 11% | 0.107 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 116.6 | -175.9 | -173.4 | 7.1 | 0 | 0 | 0 | 111.9 | Y235 Y294 R295 G370 V374 | Y235-D368 WeakPolarHBondContact OH-CB 3.2Å; Y235-D368 PolarHBondContact OH-OD2 3.34Å; Y294-D368 PolarHBondContact N-O 3.47Å; R295-D368 HydrophobicContact CB-CB 3.92Å; R295-D368 PolarHBondContact N-O 3.47Å; R295-D368 VanDerWaalsContact N-O 3.17Å; R295-D368 PolarHBondContact O-N 3.24Å; D368-G370 WeakPolarHBondContact OD1-CA 3.27Å; D368-G370 PolarHBondContact OD1-N 2.73Å; D368-V374 HydrophobicContact CB-CG1 3.97Å |
| 369 | F | 89.4 | Confident | 85.6 | Confident | 10 Ų | 10 | 27 Ų | 27 | 4% | 0.044 | 15% | 0.145 | C | C | . | . | trans | -98.4 | 11.7 | 176.1 | -62.3 | -84.3 | 0 | 0 | 0 | 112.8 | I257 V260 L285 C287 R291 M292 L293 Y294 Y347 F367 L371 L375 | I257-F369 HydrophobicContact CD1-CD2 3.6Å; I257-F369 HydrophobicContact CD1-CE2 3.81Å; V260-F369 HydrophobicContact CG1-CE2 4.34Å; V260-F369 HydrophobicContact CG1-CZ 4.11Å; V260-F369 HydrophobicContact CG2-CE2 4.25Å; V260-F369 HydrophobicContact CG2-CZ 4.28Å; L285-F369 HydrophobicContact CD1-CZ 4.05Å; C287-F369 WeakPolarHBondContact SG-CE1 3.44Å; R291-F369 HydrophobicContact CB-CD1 4.02Å; M292-F369 WeakPolarHBondContact O-CA 3.43Å; L293-F369 HydrophobicContact CB-CD1 4.24Å; L293-F369 HydrophobicContact CB-CE1 4.01Å; L293-F369 HydrophobicContact CD1-CD1 4.11Å; L293-F369 HydrophobicContact CD1-CD2 4.48Å; L293-F369 HydrophobicContact CD1-CE1 3.8Å; L293-F369 HydrophobicContact CD1-CE2 4.21Å; L293-F369 HydrophobicContact CD1-CG 4.45Å; L293-F369 HydrophobicContact CD1-CZ 3.87Å; L293-F369 HydrophobicContact CG-CE1 4.48Å; Y294-F369 VanDerWaalsContact CD2-C 3.42Å; Y294-F369 WeakPolarHBondContact CD2-O 3.47Å; Y294-F369 WeakPolarHBondContact CE2-O 3.21Å; Y347-F369 HydrophobicContact CD2-CE1 4.31Å; Y347-F369 HydrophobicContact CE2-CE1 4.2Å; F367-F369 HydrophobicContact CB-CE2 4.12Å; F369-L371 VanDerWaalsContact C-N 3.27Å; F369-L375 HydrophobicContact CE2-CB 4.28Å; F369-L375 HydrophobicContact CE2-CD2 4.04Å | ||
| 370 | G | 84.2 | Confident | 86.1 | Confident | 49 Ų | 49 | 27.1 Ų | 27.1 | 51% | 0.505 | 14% | 0.142 | S | C | . | . | S | Bend | trans | 75.9 | 15.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | D368 | D368-G370 WeakPolarHBondContact OD1-CA 3.27Å; D368-G370 PolarHBondContact OD1-N 2.73Å |
| 371 | L | 83.8 | Confident | 86.5 | Confident | 99 Ų | 99 | 26.5 Ų | 26.5 | 52% | 0.518 | 14% | 0.138 | S | C | . | . | S | Bend | trans | -132.6 | 147.8 | -178.9 | -64.6 | 174.5 | 0 | 0 | 0 | 109.5 | F369 P373 | F369-L371 VanDerWaalsContact C-N 3.27Å; L371-P373 CarbonylContact O-C 3.57Å |
| 372 | E | 85.5 | Confident | 86.2 | Confident | 106 Ų | 106 | 26.2 Ų | 26.2 | 50% | 0.495 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -100.9 | 139.9 | 171.9 | -61 | -165 | 142.9 | 0 | 0 | 110.5 | K242 | K242-E372 WeakPolarHBondContact CE-OE1 3.36Å; K242-E372 WeakPolarHBondContact CE-OE2 3.38Å; K242-E372 IonicContact NZ-OE1 3.9Å; K242-E372 PolarHBondContact NZ-OE1 3.2Å; K242-E372 IonicContact NZ-OE2 2.9Å; K242-E372 PolarHBondContact NZ-OE2 2.82Å |
| 373 | P | 87.9 | Confident | 86.2 | Confident | 41 Ų | 41 | 22.6 Ų | 22.6 | 27% | 0.266 | 12% | 0.123 | S | C | . | . | S | Bend | cis | -73.5 | 147.9 | 0.9 | 28.7 | -33.8 | 0 | 0 | 0 | 113.5 | E250 K251 I257 L371 | E250-P373 WeakPolarHBondContact O-CB 3.27Å; K251-P373 VanDerWaalsContact O-CA 3.3Å; K251-P373 WeakPolarHBondContact O-CA 2.99Å; K251-P373 WeakPolarHBondContact O-CB 3.36Å; I257-P373 HydrophobicContact CG2-CG 4.09Å; I257-P373 WeakPolarHBondContact CG2-O 3.42Å; L371-P373 CarbonylContact O-C 3.57Å |
| 374 | V | 91.2 | Very high | 85.6 | Confident | 5 Ų | 5 | 22.6 Ų | 22.6 | 3% | 0.03 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 135.7 | 173.2 | -173.6 | 0 | 0 | 0 | 0 | 109 | L239 V252 L253 S254 V366 F367 D368 | L239-V374 HydrophobicContact CD1-CG2 4.17Å; V252-V374 PolarHBondContact O-N 3.22Å; L253-V374 WeakPolarHBondContact CA-O 3.13Å; L253-V374 HydrophobicContact CD2-CB 4.02Å; S254-V374 PolarHBondContact N-O 2.97Å; V366-V374 HydrophobicContact CG1-CB 4.27Å; V366-V374 HydrophobicContact CG1-CG1 3.2Å; F367-V374 WeakPolarHBondContact O-CG1 3.15Å; D368-V374 HydrophobicContact CB-CG1 3.97Å |
| 375 | L | 91.8 | Very high | 85.1 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 130.7 | -178.6 | 175 | 68.5 | 0 | 0 | 0 | 110 | S254 E255 I257 V260 V262 L285 V366 F367 F369 | S254-L375 CarbonylContact O-C 3.53Å; S254-L375 WeakPolarHBondContact O-CA 3.36Å; E255-L375 WeakPolarHBondContact O-CD1 3.42Å; I257-L375 HydrophobicContact CD1-CB 3.91Å; I257-L375 HydrophobicContact CG1-CB 4.25Å; I257-L375 HydrophobicContact CG1-CD1 4.36Å; I257-L375 HydrophobicContact CG2-CB 4.17Å; I257-L375 HydrophobicContact CG2-CD1 4.37Å; V260-L375 HydrophobicContact CG1-CD2 4.15Å; V262-L375 HydrophobicContact CG2-CD1 4.22Å; V262-L375 HydrophobicContact CG2-CD2 3.69Å; L285-L375 HydrophobicContact CD2-CD2 4.06Å; V366-L375 CarbonylContact C-O 3.51Å; V366-L375 WeakPolarHBondContact CA-O 3.32Å; F367-L375 HydrophobicContact CB-CB 4.2Å; F367-L375 HydrophobicContact CB-CD2 4.17Å; F367-L375 HydrophobicContact CB-CG 4.43Å; F367-L375 HydrophobicContact CD2-CD2 4Å; F367-L375 HydrophobicContact CD2-CG 4.09Å; F367-L375 HydrophobicContact CG-CD2 4.39Å; F367-L375 PolarHBondContact N-O 2.9Å; F367-L375 PolarHBondContact O-N 3.31Å; F369-L375 HydrophobicContact CE2-CB 4.28Å; F369-L375 HydrophobicContact CE2-CD2 4.04Å |
| 376 | M | 90.8 | Very high | 84.1 | Confident | 13 Ų | 13 | 27.6 Ų | 27.6 | 6% | 0.064 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 148.3 | 174.3 | 69 | 169.6 | -175.3 | 0 | 0 | 112.3 | L253 S254 E255 T364 I365 | L253-M376 HydrophobicContact CB-CG 4.44Å; L253-M376 HydrophobicContact CB-SD 3.92Å; L253-M376 HydrophobicContact CD1-SD 4.38Å; S254-M376 PolarHBondContact O-N 3.44Å; E255-M376 WeakPolarHBondContact CA-O 3.36Å; E255-M376 HydrophobicContact CG-CE 3.58Å; E255-M376 HydrophobicContact CG-CG 4.26Å; T364-M376 HydrophobicContact CG2-CB 3.97Å; T364-M376 HydrophobicContact CG2-SD 4.3Å; I365-M376 CarbonylContact O-C 3.55Å; I365-M376 VanDerWaalsContact O-CA 3.29Å; I365-M376 WeakPolarHBondContact O-CA 3.43Å |
| 377 | Q | 86.6 | Confident | 83 | Confident | 23 Ų | 23 | 34.3 Ų | 34.3 | 11% | 0.107 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 134 | 170.3 | -68 | -64.1 | -53.7 | 0 | 0 | 109.2 | E255 V262 F283 I365 F367 | E255-Q377 PolarHBondContact O-NE2 2.81Å; E255-Q377 VanDerWaalsContact O-NE2 3.13Å; V262-Q377 HydrophobicContact CG1-CG 4.18Å; F283-Q377 HydrophobicContact CD1-CB 4.43Å; F283-Q377 HydrophobicContact CD1-CG 4.24Å; F283-Q377 HydrophobicContact CE1-CB 3.8Å; F283-Q377 HydrophobicContact CE1-CG 4.04Å; F283-Q377 HydrophobicContact CZ-CB 4.43Å; I365-Q377 PolarHBondContact N-O 2.97Å; I365-Q377 PolarHBondContact O-N 3.19Å; F367-Q377 HydrophobicContact CE2-CB 4.11Å; F367-Q377 HydrophobicContact CE2-CG 3.82Å |
| 378 | R | 82.8 | Confident | 81.7 | Confident | 83 Ų | 83 | 36.6 Ų | 36.6 | 31% | 0.313 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 121.6 | -176.9 | -67.7 | 173.5 | 175.1 | 175.5 | -3.7 | 109.5 | E255 L268 T364 | E255-R378 IonicContact OE1-NH1 3.78Å; L268-R378 WeakPolarHBondContact CB-O 3.45Å; T364-R378 HydrophobicContact CG2-CG 4.39Å |
| 379 | V | 81.1 | Confident | 80.3 | Confident | 3 Ų | 3 | 37.4 Ų | 37.4 | 2% | 0.018 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 146.5 | 174 | -66.6 | 0 | 0 | 0 | 0 | 110.4 | L268 W281 F283 F307 Q363 I365 | L268-V379 HydrophobicContact CD2-CG1 3.83Å; L268-V379 CarbonylContact O-C 3.5Å; L268-V379 WeakPolarHBondContact O-CA 3.27Å; W281-V379 HydrophobicContact CD2-CG1 4.26Å; W281-V379 HydrophobicContact CG-CG1 4.35Å; W281-V379 HydrophobicContact CZ2-CB 4.43Å; F283-V379 HydrophobicContact CE2-CG1 4.43Å; F283-V379 HydrophobicContact CZ-CG1 3.69Å; F307-V379 HydrophobicContact CE1-CG2 4.07Å; Q363-V379 HydrophobicContact CB-CG2 3.92Å; Q363-V379 PolarHBondContact N-O 2.85Å; Q363-V379 WeakPolarHBondContact O-CG2 3.35Å; Q363-V379 PolarHBondContact O-N 2.97Å; I365-V379 HydrophobicContact CD1-CB 4.47Å; I365-V379 HydrophobicContact CD1-CG1 3.72Å; I365-V379 HydrophobicContact CD1-CG2 3.9Å; I365-V379 HydrophobicContact CG1-CG2 4.48Å |
| 380 | M | 79.6 | Confident | 79.2 | Confident | 14 Ų | 14 | 43.8 Ų | 43.8 | 7% | 0.069 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 136 | 177.3 | 178.3 | -94.4 | -74.1 | 0 | 0 | 110 | L268 S269 V270 T360 F361 R362 Q440 | L268-M380 PolarHBondContact O-N 3.19Å; S269-M380 VanDerWaalsContact CA-O 3.31Å; S269-M380 WeakPolarHBondContact CA-O 3.49Å; S269-M380 WeakPolarHBondContact OG-CE 3.37Å; V270-M380 PolarHBondContact N-O 3.48Å; T360-M380 HydrophobicContact CG2-CG 4.21Å; F361-M380 WeakPolarHBondContact O-CA 3.45Å; R362-M380 HydrophobicContact CG-CB 4.24Å; R362-M380 HydrophobicContact CG-CG 3.88Å; M380-Q440 VanDerWaalsContact CE-CA 3.45Å; M380-Q440 HydrophobicContact CE-CB 3.93Å; M380-Q440 HydrophobicContact CE-CG 3.78Å |
| 381 | I | 79.9 | Confident | 78.3 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 129.8 | 176.2 | -175.8 | 154.6 | 0 | 0 | 0 | 111.2 | V270 V272 Q279 W281 F307 F353 T360 F361 | V270-I381 HydrophobicContact CB-CD1 4.41Å; V270-I381 HydrophobicContact CB-CG1 4.49Å; V270-I381 HydrophobicContact CG1-CD1 4.42Å; V270-I381 CarbonylContact O-C 3.54Å; V270-I381 VanDerWaalsContact O-CA 3.26Å; V270-I381 WeakPolarHBondContact O-CA 3.41Å; V272-I381 HydrophobicContact CG1-CD1 4.04Å; V272-I381 HydrophobicContact CG2-CD1 4.3Å; V272-I381 HydrophobicContact CG2-CG1 4.26Å; Q279-I381 HydrophobicContact CB-CD1 3.7Å; Q279-I381 HydrophobicContact CG-CD1 4.11Å; W281-I381 HydrophobicContact CH2-CB 3.99Å; W281-I381 HydrophobicContact CH2-CD1 4.05Å; W281-I381 HydrophobicContact CH2-CG2 4.21Å; W281-I381 HydrophobicContact CZ2-CB 4.36Å; F307-I381 HydrophobicContact CZ-CG2 4.2Å; F353-I381 HydrophobicContact CD1-CD1 3.59Å; F353-I381 HydrophobicContact CD1-CG1 4.32Å; F353-I381 HydrophobicContact CD1-CG2 3.82Å; F353-I381 HydrophobicContact CD2-CG2 3.81Å; F353-I381 HydrophobicContact CE1-CB 4.46Å; F353-I381 HydrophobicContact CE1-CD1 3.75Å; F353-I381 HydrophobicContact CE1-CG1 4.07Å; F353-I381 HydrophobicContact CE1-CG2 3.59Å; F353-I381 HydrophobicContact CE2-CG2 3.59Å; F353-I381 HydrophobicContact CG-CD1 4.41Å; F353-I381 HydrophobicContact CG-CG2 3.9Å; F353-I381 HydrophobicContact CZ-CG2 3.47Å; F353-I381 VanDerWaalsContact CZ-CG2 3.47Å; T360-I381 WeakPolarHBondContact CA-O 3.33Å; F361-I381 HydrophobicContact CB-CG2 3.79Å; F361-I381 HydrophobicContact CD2-CG2 4.28Å; F361-I381 HydrophobicContact CG-CG2 4.45Å; F361-I381 PolarHBondContact N-O 3.45Å; F361-I381 PolarHBondContact O-N 3.11Å |
| 382 | D | 72.8 | Confident | 77.2 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 111.9 | 175.8 | -72.7 | -44.1 | 0 | 0 | 0 | 109.7 | V270 T271 V272 T360 T443 | V270-D382 PolarHBondContact O-N 2.98Å; T271-D382 CarbonylContact C-O 3.41Å; T271-D382 WeakPolarHBondContact CA-O 3.47Å; T271-D382 HydrophobicContact CG2-CB 4Å; V272-D382 PolarHBondContact N-O 2.96Å; T360-D382 WeakPolarHBondContact CB-OD1 3.29Å; T360-D382 WeakPolarHBondContact CG2-OD1 3.37Å; T360-D382 PolarHBondContact OG1-OD1 2.94Å; D382-T443 WeakPolarHBondContact OD1-CA 3.15Å; D382-T443 WeakPolarHBondContact OD1-CB 3.39Å; D382-T443 WeakPolarHBondContact OD1-CG2 3.25Å |
| 383 | A | 78.9 | Confident | 76.1 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 106.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | V272 T355 F358 G359 F361 | V272-A383 HydrophobicContact CG2-CB 3.74Å; V272-A383 WeakPolarHBondContact O-CA 3.23Å; T355-A383 HydrophobicContact CG2-CB 4.18Å; F358-A383 CarbonylContact C-O 3.55Å; F358-A383 WeakPolarHBondContact CA-O 3.4Å; F358-A383 VanDerWaalsContact CB-O 3.25Å; F358-A383 WeakPolarHBondContact CB-O 3.35Å; F358-A383 HydrophobicContact CD1-CB 4.35Å; F358-A383 WeakPolarHBondContact CD1-O 3.4Å; G359-A383 PolarHBondContact N-O 2.92Å; G359-A383 PolarHBondContact O-N 3.3Å; F361-A383 HydrophobicContact CE2-CB 4.42Å |
| 384 | A | 71.4 | Confident | 74.8 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -127.3 | 161.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | V272 S273 F358 D388 L392 | V272-A384 PolarHBondContact O-N 2.72Å; S273-A384 CarbonylContact C-O 3.48Å; S273-A384 WeakPolarHBondContact CA-O 3.3Å; F358-A384 VanDerWaalsContact CE1-C 3.42Å; F358-A384 VanDerWaalsContact CE1-O 3.23Å; F358-A384 WeakPolarHBondContact CE1-O 3.49Å; A384-D388 HydrophobicContact CB-CB 4.28Å; A384-L392 HydrophobicContact CB-CD1 4.1Å | ||
| 385 | S | 75.8 | Confident | 73.2 | Confident | 23 Ų | 23 | 49.3 Ų | 49.3 | 16% | 0.161 | 24% | 0.238 | C | C | . | . | trans | -73.3 | 163.2 | 171.8 | 73.7 | 0 | 0 | 0 | 0 | 111.2 | E387 D388 L389 | S385-E387 VanDerWaalsContact C-N 3.3Å; S385-E387 PolarHBondContact O-N 3.47Å; S385-D388 PolarHBondContact O-N 3.49Å; S385-D388 VanDerWaalsContact OG-CB 3.29Å; S385-D388 WeakPolarHBondContact OG-CB 3.45Å; S385-D388 PolarHBondContact OG-N 3.01Å; S385-D388 VanDerWaalsContact OG-N 3.16Å; S385-D388 PolarHBondContact OG-OD2 2.97Å; S385-L389 VanDerWaalsContact O-CB 3.23Å; S385-L389 WeakPolarHBondContact O-CB 3.42Å; S385-L389 PolarHBondContact O-N 2.75Å | ||
| 386 | T | 71.9 | Confident | 71.5 | Confident | 89 Ų | 89 | 50.1 Ų | 50.1 | 55% | 0.546 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.5 | -37.9 | 177.1 | 44.4 | 0 | 0 | 0 | 0 | 112.7 | L389 E390 | T386-L389 PolarHBondContact O-N 3.46Å; T386-E390 PolarHBondContact O-N 3.44Å |
| 387 | E | 70.1 | Confident | 69.8 | Low | 143 Ų | 143 | 56.5 Ų | 56.5 | 67% | 0.668 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -67 | -48.2 | 176.8 | -65.8 | 170.6 | -170.1 | 0 | 0 | 110.8 | S385 L389 E390 Y391 | S385-E387 VanDerWaalsContact C-N 3.3Å; S385-E387 PolarHBondContact O-N 3.47Å; E387-L389 VanDerWaalsContact C-N 3.28Å; E387-L389 PolarHBondContact O-N 3.35Å; E387-E390 PolarHBondContact O-N 3.12Å; E387-Y391 VanDerWaalsContact O-CD2 3.31Å; E387-Y391 WeakPolarHBondContact O-CD2 3.47Å; E387-Y391 PolarHBondContact O-N 3.12Å |
| 388 | D | 66.5 | Low | 68.2 | Low | 47 Ų | 47 | 61 Ų | 61 | 25% | 0.251 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61 | -38.3 | 176.4 | -70.9 | -31.8 | 0 | 0 | 0 | 111.5 | A384 S385 E390 Y391 L392 Q444 L447 | A384-D388 HydrophobicContact CB-CB 4.28Å; S385-D388 PolarHBondContact O-N 3.49Å; S385-D388 VanDerWaalsContact OG-CB 3.29Å; S385-D388 WeakPolarHBondContact OG-CB 3.45Å; S385-D388 PolarHBondContact OG-N 3.01Å; S385-D388 VanDerWaalsContact OG-N 3.16Å; S385-D388 PolarHBondContact OG-OD2 2.97Å; D388-E390 VanDerWaalsContact C-N 3.35Å; D388-E390 PolarHBondContact O-N 2.78Å; D388-Y391 WeakPolarHBondContact O-CB 3.48Å; D388-Y391 PolarHBondContact O-N 3.42Å; D388-L392 WeakPolarHBondContact O-CG 3.46Å; D388-L392 PolarHBondContact O-N 3.25Å; D388-Q444 PolarHBondContact OD2-NE2 3.16Å; D388-Q444 VanDerWaalsContact OD2-NE2 3.13Å; D388-L447 HydrophobicContact CB-CD1 3.56Å |
| 389 | L | 64.8 | Low | 66.7 | Low | 38 Ų | 38 | 58.4 Ų | 58.4 | 20% | 0.199 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.4 | -39.7 | 178.7 | -176.1 | 60.4 | 0 | 0 | 0 | 112.2 | T271 S385 T386 E387 Y391 L392 M393 | T271-L389 HydrophobicContact CG2-CD1 3.39Å; S385-L389 VanDerWaalsContact O-CB 3.23Å; S385-L389 WeakPolarHBondContact O-CB 3.42Å; S385-L389 PolarHBondContact O-N 2.75Å; T386-L389 PolarHBondContact O-N 3.46Å; E387-L389 VanDerWaalsContact C-N 3.28Å; E387-L389 PolarHBondContact O-N 3.35Å; L389-Y391 VanDerWaalsContact C-N 3.33Å; L389-Y391 PolarHBondContact O-N 3.31Å; L389-L392 PolarHBondContact O-N 3.13Å; L389-M393 HydrophobicContact CD1-CG 4.36Å; L389-M393 HydrophobicContact CG-CG 4.45Å; L389-M393 HydrophobicContact CG-SD 4.26Å; L389-M393 WeakPolarHBondContact O-CB 3.38Å; L389-M393 VanDerWaalsContact O-CG 3.24Å; L389-M393 WeakPolarHBondContact O-CG 3.34Å; L389-M393 PolarHBondContact O-N 3.28Å |
| 390 | E | 65.9 | Low | 65.2 | Low | 144 Ų | 144 | 63.4 Ų | 63.4 | 67% | 0.673 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -63 | -40.8 | 174.7 | -72.6 | 178 | -179.5 | 0 | 0 | 111.4 | T386 E387 D388 M393 H394 | T386-E390 PolarHBondContact O-N 3.44Å; E387-E390 PolarHBondContact O-N 3.12Å; D388-E390 VanDerWaalsContact C-N 3.35Å; D388-E390 PolarHBondContact O-N 2.78Å; E390-M393 PolarHBondContact O-N 3.22Å; E390-H394 WeakPolarHBondContact O-CB 3.41Å; E390-H394 PolarHBondContact O-N 3.01Å |
| 391 | Y | 64.8 | Low | 63.6 | Low | 169 Ų | 169 | 68.1 Ų | 68.1 | 66% | 0.663 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -63.3 | -45.3 | 172.7 | -80.5 | -77.2 | 0 | 0 | 0 | 112.3 | E387 D388 L389 M393 H394 A395 | E387-Y391 VanDerWaalsContact O-CD2 3.31Å; E387-Y391 WeakPolarHBondContact O-CD2 3.47Å; E387-Y391 PolarHBondContact O-N 3.12Å; D388-Y391 WeakPolarHBondContact O-CB 3.48Å; D388-Y391 PolarHBondContact O-N 3.42Å; L389-Y391 VanDerWaalsContact C-N 3.33Å; L389-Y391 PolarHBondContact O-N 3.31Å; Y391-M393 VanDerWaalsContact C-N 3.35Å; Y391-M393 PolarHBondContact O-N 3.07Å; Y391-H394 PolarHBondContact O-N 2.99Å; Y391-A395 VanDerWaalsContact O-CB 3.3Å; Y391-A395 WeakPolarHBondContact O-CB 3.29Å; Y391-A395 PolarHBondContact O-N 2.92Å |
| 392 | L | 61.7 | Low | 62.1 | Low | 1 Ų | 1 | 69.6 Ų | 69.6 | 1% | 0.005 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.9 | -45.6 | 175.7 | -65.8 | 178.4 | 0 | 0 | 0 | 110.6 | A384 D388 L389 H394 A395 K396 F442 L447 | A384-L392 HydrophobicContact CB-CD1 4.1Å; D388-L392 WeakPolarHBondContact O-CG 3.46Å; D388-L392 PolarHBondContact O-N 3.25Å; L389-L392 PolarHBondContact O-N 3.13Å; L392-H394 PolarHBondContact O-N 3.48Å; L392-A395 PolarHBondContact O-N 3.39Å; L392-K396 VanDerWaalsContact O-CB 3.28Å; L392-K396 WeakPolarHBondContact O-CB 3.49Å; L392-K396 WeakPolarHBondContact O-CG 3.42Å; L392-K396 PolarHBondContact O-N 2.92Å; L392-F442 HydrophobicContact CD2-CB 3.85Å; L392-F442 WeakPolarHBondContact CD2-O 3.22Å; L392-L447 HydrophobicContact CD1-CD1 4.17Å; L392-L447 HydrophobicContact CD2-CD1 3.43Å; L392-L447 VanDerWaalsContact CD2-CD1 3.43Å; L392-L447 HydrophobicContact CD2-CD2 4.14Å; L392-L447 HydrophobicContact CD2-CG 3.68Å; L392-L447 HydrophobicContact CG-CD1 3.59Å; L392-L447 HydrophobicContact CG-CG 4.39Å |
| 393 | M | 61.2 | Low | 61 | Low | 114 Ų | 114 | 72.2 Ų | 72.2 | 56% | 0.562 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -63.7 | -41.6 | 179.2 | -73.5 | -177.3 | 73.8 | 0 | 0 | 112.3 | L389 E390 Y391 K396 Q397 | L389-M393 HydrophobicContact CD1-CG 4.36Å; L389-M393 HydrophobicContact CG-CG 4.45Å; L389-M393 HydrophobicContact CG-SD 4.26Å; L389-M393 WeakPolarHBondContact O-CB 3.38Å; L389-M393 VanDerWaalsContact O-CG 3.24Å; L389-M393 WeakPolarHBondContact O-CG 3.34Å; L389-M393 PolarHBondContact O-N 3.28Å; E390-M393 PolarHBondContact O-N 3.22Å; Y391-M393 VanDerWaalsContact C-N 3.35Å; Y391-M393 PolarHBondContact O-N 3.07Å; M393-K396 WeakPolarHBondContact O-CB 2.96Å; M393-K396 PolarHBondContact O-N 2.81Å; M393-Q397 PolarHBondContact O-N 3.47Å |
| 394 | H | 60.7 | Low | 60.3 | Low | 108 Ų | 108 | 81.7 Ų | 81.7 | 50% | 0.5 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -66.1 | -42.9 | 175.5 | -175.1 | -94.9 | 0 | 0 | 0 | 111.7 | E390 Y391 L392 Q397 Q398 | E390-H394 WeakPolarHBondContact O-CB 3.41Å; E390-H394 PolarHBondContact O-N 3.01Å; Y391-H394 PolarHBondContact O-N 2.99Å; L392-H394 PolarHBondContact O-N 3.48Å; H394-Q397 PolarHBondContact O-N 2.98Å; H394-Q398 PolarHBondContact CE1-NE2 2.92Å; H394-Q398 PolarHBondContact O-N 3.45Å |
| 395 | A | 58.5 | Low | 60.3 | Low | 23 Ų | 23 | 87.5 Ų | 87.5 | 19% | 0.19 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y391 L392 Q397 Q398 L399 F442 | Y391-A395 VanDerWaalsContact O-CB 3.3Å; Y391-A395 WeakPolarHBondContact O-CB 3.29Å; Y391-A395 PolarHBondContact O-N 2.92Å; L392-A395 PolarHBondContact O-N 3.39Å; A395-Q397 PolarHBondContact O-N 2.78Å; A395-Q398 PolarHBondContact O-N 3.11Å; A395-L399 PolarHBondContact O-N 3.1Å; A395-F442 HydrophobicContact CB-CD1 3.94Å; A395-F442 HydrophobicContact CB-CD2 4.04Å; A395-F442 HydrophobicContact CB-CE1 3.75Å; A395-F442 HydrophobicContact CB-CE2 3.77Å; A395-F442 HydrophobicContact CB-CG 4.09Å; A395-F442 HydrophobicContact CB-CZ 3.66Å; A395-F442 VanDerWaalsContact O-CE2 3.24Å; A395-F442 WeakPolarHBondContact O-CE2 3.49Å |
| 396 | K | 56.1 | Low | 60.4 | Low | 18 Ų | 18 | 90.6 Ų | 90.6 | 8% | 0.078 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -57.1 | -49.2 | 173.6 | -76.2 | 168.5 | 177.2 | -151.1 | 0 | 111.3 | L392 M393 Q398 L399 V400 A438 D439 F442 | L392-K396 VanDerWaalsContact O-CB 3.28Å; L392-K396 WeakPolarHBondContact O-CB 3.49Å; L392-K396 WeakPolarHBondContact O-CG 3.42Å; L392-K396 PolarHBondContact O-N 2.92Å; M393-K396 WeakPolarHBondContact O-CB 2.96Å; M393-K396 PolarHBondContact O-N 2.81Å; K396-Q398 PolarHBondContact O-N 3.41Å; K396-L399 PolarHBondContact O-N 3.32Å; K396-V400 VanDerWaalsContact O-CG2 3.3Å; K396-V400 WeakPolarHBondContact O-CG2 3.45Å; K396-V400 PolarHBondContact O-N 2.78Å; K396-A438 HydrophobicContact CB-CB 4.15Å; K396-A438 HydrophobicContact CG-CB 4.07Å; K396-D439 VanDerWaalsContact CD-OD1 3.25Å; K396-D439 WeakPolarHBondContact CD-OD1 3.25Å; K396-D439 VanDerWaalsContact CE-OD1 3.28Å; K396-D439 WeakPolarHBondContact CE-OD1 3.35Å; K396-D439 IonicContact NZ-OD1 2.98Å; K396-D439 PolarHBondContact NZ-OD1 2.94Å; K396-F442 HydrophobicContact CB-CD2 4.48Å; K396-F442 HydrophobicContact CG-CB 4.15Å; K396-F442 HydrophobicContact CG-CD2 3.85Å; K396-F442 HydrophobicContact CG-CG 4.46Å |
| 397 | Q | 53.9 | Low | 60.4 | Low | 147 Ų | 147 | 87.8 Ų | 87.8 | 69% | 0.687 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -56.5 | -33.8 | 178 | -106.6 | 175.7 | -4.8 | 0 | 0 | 113.2 | M393 H394 A395 | M393-Q397 PolarHBondContact O-N 3.47Å; H394-Q397 PolarHBondContact O-N 2.98Å; A395-Q397 PolarHBondContact O-N 2.78Å |
| 398 | Q | 54 | Low | 60.4 | Low | 116 Ų | 116 | 85.4 Ų | 85.4 | 54% | 0.542 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -74.4 | -20.2 | 176.9 | -65.8 | -171 | 2.1 | 0 | 0 | 114.4 | H394 A395 K396 T401 K473 | H394-Q398 PolarHBondContact CE1-NE2 2.92Å; H394-Q398 PolarHBondContact O-N 3.45Å; A395-Q398 PolarHBondContact O-N 3.11Å; K396-Q398 PolarHBondContact O-N 3.41Å; Q398-T401 PolarHBondContact O-OG1 3.45Å; Q398-K473 PolarHBondContact O-NZ 3.01Å |
| 399 | L | 51.5 | Low | 60.4 | Low | 30 Ų | 30 | 86.6 Ų | 86.6 | 16% | 0.157 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -94.1 | -27.5 | 176.2 | -76.9 | -170.6 | 0 | 0 | 0 | 114 | A395 K396 T401 T402 A438 F442 I469 | A395-L399 PolarHBondContact O-N 3.1Å; K396-L399 PolarHBondContact O-N 3.32Å; L399-T401 PolarHBondContact O-N 2.97Å; L399-T402 PolarHBondContact O-N 3.31Å; L399-T402 PolarHBondContact O-OG1 3.39Å; L399-A438 HydrophobicContact CB-CB 3.84Å; L399-A438 HydrophobicContact CD1-CB 4.31Å; L399-F442 HydrophobicContact CB-CE2 4.21Å; L399-F442 HydrophobicContact CD1-CD2 3.92Å; L399-F442 HydrophobicContact CD1-CE2 3.06Å; L399-F442 HydrophobicContact CD1-CZ 3.48Å; L399-F442 VanDerWaalsContact CD1-CZ 3.48Å; L399-F442 HydrophobicContact CG-CE2 3.52Å; L399-F442 HydrophobicContact CG-CZ 3.91Å; L399-I469 HydrophobicContact CD1-CG2 4.3Å; L399-I469 HydrophobicContact CD2-CG2 4.03Å |
| 400 | V | 48.9 | Very low | 60.7 | Low | 108 Ų | 108 | 86.9 Ų | 86.9 | 66% | 0.655 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -10.8 | -178.8 | 169.9 | 0 | 0 | 0 | 0 | 113.5 | K396 T402 A438 | K396-V400 VanDerWaalsContact O-CG2 3.3Å; K396-V400 WeakPolarHBondContact O-CG2 3.45Å; K396-V400 PolarHBondContact O-N 2.78Å; V400-T402 VanDerWaalsContact C-N 3.32Å; V400-T402 PolarHBondContact O-N 3.24Å; V400-A438 HydrophobicContact CG2-CB 4.31Å |
| 401 | T | 45.4 | Very low | 61.4 | Low | 113 Ų | 113 | 81.9 Ų | 81.9 | 69% | 0.693 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | 4 | 177.3 | 33.6 | 0 | 0 | 0 | 0 | 115.2 | Q398 L399 | Q398-T401 PolarHBondContact O-OG1 3.45Å; L399-T401 PolarHBondContact O-N 2.97Å |
| 402 | T | 49.3 | Very low | 62.3 | Low | 30 Ų | 30 | 76.7 Ų | 76.7 | 18% | 0.184 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -89.2 | 128.6 | -177.9 | -37.4 | 0 | 0 | 0 | 0 | 110.6 | L399 V400 K404 Y472 K473 | L399-T402 PolarHBondContact O-N 3.31Å; L399-T402 PolarHBondContact O-OG1 3.39Å; V400-T402 VanDerWaalsContact C-N 3.32Å; V400-T402 PolarHBondContact O-N 3.24Å; T402-K404 PolarHBondContact O-N 3.12Å; T402-Y472 HydrophobicContact CG2-CD1 3.73Å; T402-Y472 HydrophobicContact CG2-CE1 3.7Å; T402-K473 HydrophobicContact CG2-CB 3.86Å; T402-K473 HydrophobicContact CG2-CG 4.05Å |
| 403 | A | 49.9 | Very low | 63.4 | Low | 56 Ų | 56 | 78.7 Ų | 78.7 | 46% | 0.463 | 42% | 0.417 | S | S | . | . | trans | -51.4 | 140 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | R405 Y472 | A403-R405 PolarHBondContact O-N 3.06Å; A403-R405 VanDerWaalsContact O-N 3.08Å; A403-Y472 WeakPolarHBondContact O-CE1 3.33Å; A403-Y472 PolarHBondContact O-OH 3.4Å | ||
| 404 | K | 63.6 | Low | 64.6 | Low | 199 Ų | 199 | 76.1 Ų | 76.1 | 87% | 0.865 | 40% | 0.404 | S | S | * | . | trans | -57.7 | 115.5 | 179 | -86.9 | -172.9 | 174.3 | -175.1 | 0 | 110.4 | T402 | T402-K404 PolarHBondContact O-N 3.12Š| ||
| 405 | R | 72.4 | Confident | 65.7 | Low | 121 Ų | 121 | 75.2 Ų | 75.2 | 46% | 0.457 | 40% | 0.404 | S | S | . | . | trans | -56.1 | 134 | 171.3 | -176.6 | 173 | 176 | 166.6 | -2.7 | 110 | A403 Y472 | A403-R405 PolarHBondContact O-N 3.06Å; A403-R405 VanDerWaalsContact O-N 3.08Å; R405-Y472 WeakPolarHBondContact CA-OH 3.4Å; R405-Y472 HydrophobicContact CB-CE1 4.1Å; R405-Y472 HydrophobicContact CB-CE2 4.03Å; R405-Y472 HydrophobicContact CG-CE2 3.91Å; R405-Y472 PolarHBondContact N-OH 2.9Å | ||
| 406 | W | 77.1 | Confident | 66.9 | Low | 89 Ų | 89 | 77.1 Ų | 77.1 | 34% | 0.337 | 41% | 0.407 | S | S | . | . | trans | -73.7 | 127.8 | 168.4 | -64.2 | -16.1 | 0 | 0 | 0 | 109 | K411 Y535 L537 V554 | W406-K411 HydrophobicContact CB-CG 4.21Å; W406-K411 HydrophobicContact CG-CG 4.04Å; W406-Y535 HydrophobicContact CE3-CG 4.46Å; W406-L537 HydrophobicContact CH2-CB 3.42Å; W406-L537 VanDerWaalsContact CH2-CB 3.42Å; W406-L537 HydrophobicContact CH2-CD2 4.29Å; W406-L537 HydrophobicContact CZ2-CB 3.99Å; W406-L537 HydrophobicContact CZ2-CD2 3.98Å; W406-L537 HydrophobicContact CZ3-CB 4Å; W406-V554 HydrophobicContact CD2-CG1 4.42Å; W406-V554 HydrophobicContact CD2-CG2 4.12Å; W406-V554 HydrophobicContact CE3-CB 4.35Å; W406-V554 HydrophobicContact CE3-CG1 3.49Å; W406-V554 VanDerWaalsContact CE3-CG1 3.49Å; W406-V554 HydrophobicContact CE3-CG2 3.87Å; W406-V554 HydrophobicContact CZ3-CG1 3.79Å; W406-V554 HydrophobicContact CZ3-CG2 4.2Å | ||
| 407 | D | 72.8 | Confident | 67.8 | Low | 29 Ų | 29 | 84.1 Ų | 84.1 | 16% | 0.155 | 44% | 0.44 | C | S | . | . | trans | -143.6 | 174.5 | -178.6 | 65.7 | -2.2 | 0 | 0 | 0 | 109 | S409 S410 K411 L436 | D407-S409 PolarHBondContact O-N 3.44Å; D407-S409 PolarHBondContact OD1-N 3.43Å; D407-S409 PolarHBondContact OD1-OG 2.93Å; D407-S409 PolarHBondContact OD2-OG 3.2Å; D407-S410 PolarHBondContact N-OG 3.28Å; D407-S410 PolarHBondContact O-N 3.05Å; D407-S410 PolarHBondContact O-OG 3.37Å; D407-S410 WeakPolarHBondContact OD1-CB 3.39Å; D407-S410 PolarHBondContact OD1-N 2.91Å; D407-S410 PolarHBondContact OD1-OG 3.31Å; D407-K411 PolarHBondContact O-N 3.35Å; D407-L436 WeakPolarHBondContact OD2-CD2 3.49Å | ||
| 408 | S | 68.8 | Low | 68.5 | Low | 93 Ų | 93 | 81.6 Ų | 81.6 | 65% | 0.65 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -21 | 177.2 | 55.7 | 0 | 0 | 0 | 0 | 113 | K411 K551 | S408-K411 WeakPolarHBondContact CA-O 3.45Å; S408-K551 PolarHBondContact O-NZ 3.07Å |
| 409 | S | 66.4 | Low | 69.1 | Low | 72 Ų | 72 | 79.1 Ų | 79.1 | 50% | 0.503 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -38.4 | 175.9 | 88.4 | 0 | 0 | 0 | 0 | 111.6 | D407 K551 | D407-S409 PolarHBondContact O-N 3.44Å; D407-S409 PolarHBondContact OD1-N 3.43Å; D407-S409 PolarHBondContact OD1-OG 2.93Å; D407-S409 PolarHBondContact OD2-OG 3.2Å; S409-K551 WeakPolarHBondContact O-CE 3.43Å; S409-K551 PolarHBondContact O-NZ 2.46Å |
| 410 | S | 71.4 | Confident | 69.8 | Low | 45 Ų | 45 | 86.6 Ų | 86.6 | 32% | 0.315 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -30.6 | -174.5 | 60.6 | 0 | 0 | 0 | 0 | 114.8 | D407 | D407-S410 PolarHBondContact N-OG 3.28Å; D407-S410 PolarHBondContact O-N 3.05Å; D407-S410 PolarHBondContact O-OG 3.37Å; D407-S410 WeakPolarHBondContact OD1-CB 3.39Å; D407-S410 PolarHBondContact OD1-N 2.91Å; D407-S410 PolarHBondContact OD1-OG 3.31Å |
| 411 | K | 81.3 | Confident | 70.7 | Confident | 38 Ų | 38 | 83.5 Ų | 83.5 | 17% | 0.165 | 44% | 0.443 | C | S | . | . | S | Bend | trans | -138 | 161 | -174.6 | -59.9 | -65.8 | 176.7 | -168 | 0 | 111.6 | W406 D407 S408 E552 V554 | W406-K411 HydrophobicContact CB-CG 4.21Å; W406-K411 HydrophobicContact CG-CG 4.04Å; D407-K411 PolarHBondContact O-N 3.35Å; S408-K411 WeakPolarHBondContact CA-O 3.45Å; K411-E552 HydrophobicContact CD-CB 3.89Å; K411-E552 IonicContact NZ-OE2 2.59Å; K411-E552 PolarHBondContact NZ-OE2 3.02Å; K411-V554 HydrophobicContact CB-CB 4.41Å; K411-V554 HydrophobicContact CB-CG2 3.79Å; K411-V554 HydrophobicContact CD-CG2 4.02Å; K411-V554 HydrophobicContact CG-CG2 3.76Å |
| 412 | T | 84.1 | Confident | 72.2 | Confident | 60 Ų | 60 | 81.6 Ų | 81.6 | 37% | 0.368 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 105.4 | 166.2 | -59.9 | 0 | 0 | 0 | 0 | 107.9 | E552 K553 V554 | T412-E552 PolarHBondContact N-O 3.01Å; T412-K553 HydrophobicContact CG2-CG 4.49Å; T412-K553 WeakPolarHBondContact O-CA 3.25Å; T412-V554 PolarHBondContact O-N 3.44Å |
| 413 | I | 84.9 | Confident | 73.4 | Confident | 43 Ų | 43 | 85.1 Ų | 85.1 | 22% | 0.221 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 131.7 | 178.5 | -58.1 | 174.1 | 0 | 0 | 0 | 108.6 | Y535 V554 | I413-Y535 HydrophobicContact CG2-CD1 4.27Å; I413-Y535 HydrophobicContact CG2-CE1 3.51Å; I413-V554 CarbonylContact C-O 3.55Å; I413-V554 WeakPolarHBondContact CA-O 3.35Å |
| 414 | I | 86.4 | Confident | 74.6 | Confident | 60 Ų | 60 | 87.2 Ų | 87.2 | 31% | 0.308 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 108.2 | 175.6 | -61.4 | 173.6 | 0 | 0 | 0 | 106.4 | K553 V554 Y555 E556 | I414-K553 HydrophobicContact CD1-CB 4.1Å; I414-K553 HydrophobicContact CD1-CD 3.93Å; I414-K553 HydrophobicContact CD1-CG 4.17Å; I414-V554 PolarHBondContact N-O 2.96Å; I414-Y555 HydrophobicContact CB-CD1 3.94Å; I414-Y555 HydrophobicContact CB-CE1 4.34Å; I414-Y555 HydrophobicContact CD1-CD1 3.86Å; I414-Y555 HydrophobicContact CD1-CE1 3.36Å; I414-Y555 HydrophobicContact CG1-CD1 4.45Å; I414-Y555 HydrophobicContact CG1-CE1 4.4Å; I414-Y555 HydrophobicContact CG2-CD1 4.02Å; I414-Y555 HydrophobicContact CG2-CE1 4.36Å; I414-E556 PolarHBondContact O-N 2.66Å |
| 415 | D | 83.8 | Confident | 75.1 | Confident | 90 Ų | 90 | 82.1 Ų | 82.1 | 48% | 0.481 | 43% | 0.431 | S | S | . | . | trans | -68.2 | 156.3 | -177.2 | -57.7 | -21.3 | 0 | 0 | 0 | 111.6 | E556 | D415-E556 WeakPolarHBondContact CA-OE2 3.36Š| ||
| 416 | F | 82.5 | Confident | 75.1 | Confident | 62 Ų | 62 | 80.2 Ų | 80.2 | 27% | 0.272 | 43% | 0.426 | S | S | . | . | trans | -78.2 | 134.9 | 176 | -178.5 | -95.1 | 0 | 0 | 0 | 111.1 | E556 T558 | F416-E556 HydrophobicContact CB-CB 4.38Å; F416-E556 HydrophobicContact CB-CG 4.4Å; F416-E556 PolarHBondContact N-OE2 3.39Å; F416-E556 VanDerWaalsContact N-OE2 3.09Å; F416-T558 HydrophobicContact CB-CG2 4.21Å; F416-T558 HydrophobicContact CD1-CG2 3.53Å; F416-T558 HydrophobicContact CE1-CG2 4.01Å; F416-T558 HydrophobicContact CG-CG2 3.88Å | ||
| 417 | E | 76.4 | Confident | 74.9 | Confident | 165 Ų | 165 | 76 Ų | 76 | 77% | 0.771 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -111 | 134.3 | 172.5 | -67.3 | -174.8 | 169.1 | 0 | 0 | 110.5 | ||
| 418 | P | 68.5 | Low | 75.1 | Confident | 95 Ų | 95 | 79 Ų | 79 | 62% | 0.617 | 43% | 0.426 | S | S | * | . | S | Bend | cis | -80.3 | 132.4 | 8.6 | 30.4 | -33.2 | 0 | 0 | 0 | 113.2 | ||
| 419 | N | 64.9 | Low | 75.4 | Confident | 64 Ų | 64 | 80.2 Ų | 80.2 | 34% | 0.342 | 43% | 0.425 | S | S | . | . | trans | -94.3 | 112.2 | 177.7 | -166.7 | -11 | 0 | 0 | 0 | 109.4 | T421 | N419-T421 PolarHBondContact ND2-OG1 3.01Å; N419-T421 VanDerWaalsContact ND2-OG1 3.07Å; N419-T421 PolarHBondContact O-N 2.96Å; N419-T421 WeakPolarHBondContact OD1-CB 3.45Å; N419-T421 WeakPolarHBondContact OD1-CG2 3.43Å; N419-T421 PolarHBondContact OD1-N 3.35Å; N419-T421 VanDerWaalsContact OD1-N 3.07Å; N419-T421 PolarHBondContact OD1-OG1 3.17Å | ||
| 420 | E | 66.1 | Low | 75.6 | Confident | 187 Ų | 187 | 80 Ų | 80 | 87% | 0.874 | 42% | 0.417 | S | S | * | . | trans | -78.6 | -2.9 | 177.4 | -65.2 | -170.6 | 164.4 | 0 | 0 | 113 | T422 | E420-T422 PolarHBondContact O-N 3.43Š| ||
| 421 | T | 68.6 | Low | 75.6 | Confident | 43 Ų | 43 | 81 Ų | 81 | 26% | 0.264 | 41% | 0.414 | S | S | . | . | trans | -63.7 | 124.2 | 178.3 | 52.5 | 0 | 0 | 0 | 0 | 111.2 | N419 E425 K426 | N419-T421 PolarHBondContact ND2-OG1 3.01Å; N419-T421 VanDerWaalsContact ND2-OG1 3.07Å; N419-T421 PolarHBondContact O-N 2.96Å; N419-T421 WeakPolarHBondContact OD1-CB 3.45Å; N419-T421 WeakPolarHBondContact OD1-CG2 3.43Å; N419-T421 PolarHBondContact OD1-N 3.35Å; N419-T421 VanDerWaalsContact OD1-N 3.07Å; N419-T421 PolarHBondContact OD1-OG1 3.17Å; T421-E425 WeakPolarHBondContact CA-OE2 3.42Å; T421-K426 WeakPolarHBondContact O-CE 3.41Å; T421-K426 WeakPolarHBondContact OG1-CE 3.47Å | ||
| 422 | T | 77.2 | Confident | 75.3 | Confident | 73 Ų | 73 | 82.8 Ų | 82.8 | 45% | 0.448 | 42% | 0.42 | S | S | . | . | trans | -65.4 | 154.7 | 174.5 | 60.2 | 0 | 0 | 0 | 0 | 110.4 | E420 L424 E425 K426 | E420-T422 PolarHBondContact O-N 3.43Å; T422-L424 PolarHBondContact O-N 2.51Å; T422-L424 VanDerWaalsContact O-N 3.17Å; T422-E425 PolarHBondContact N-OE2 3.11Å; T422-E425 PolarHBondContact O-N 2.69Å; T422-E425 VanDerWaalsContact OG1-CD 3.3Å; T422-E425 VanDerWaalsContact OG1-CG 3.27Å; T422-E425 WeakPolarHBondContact OG1-CG 3.43Å; T422-E425 PolarHBondContact OG1-N 3.33Å; T422-E425 PolarHBondContact OG1-OE2 3.11Å; T422-K426 PolarHBondContact O-N 3.07Å; T422-K426 VanDerWaalsContact O-N 3.08Å | ||
| 423 | D | 74.2 | Confident | 74.5 | Confident | 103 Ų | 103 | 84.3 Ų | 84.3 | 55% | 0.551 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -59.1 | -29.7 | 175.5 | -65.5 | -28.6 | 0 | 0 | 0 | 111.9 | S427 | D423-S427 WeakPolarHBondContact O-CB 3.38Å; D423-S427 PolarHBondContact O-N 3.46Å |
| 424 | L | 74.5 | Confident | 73.5 | Confident | 101 Ų | 101 | 83.9 Ų | 83.9 | 53% | 0.529 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.3 | -49.4 | 173.1 | -179.2 | 62 | 0 | 0 | 0 | 111.7 | T422 K426 S427 L428 | T422-L424 PolarHBondContact O-N 2.51Å; T422-L424 VanDerWaalsContact O-N 3.17Å; L424-K426 PolarHBondContact O-N 3.19Å; L424-S427 WeakPolarHBondContact O-CB 3.34Å; L424-S427 PolarHBondContact O-N 3.48Å; L424-S427 PolarHBondContact O-OG 3.19Å; L424-L428 HydrophobicContact CG-CD1 4.4Å; L424-L428 WeakPolarHBondContact O-CG 3.09Å; L424-L428 PolarHBondContact O-N 3.08Å |
| 425 | E | 74.3 | Confident | 72.4 | Confident | 91 Ų | 91 | 81.9 Ų | 81.9 | 43% | 0.425 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.4 | -42.4 | 179.2 | -73.2 | 163 | 141.1 | 0 | 0 | 111.9 | T421 T422 S427 L428 L429 | T421-E425 WeakPolarHBondContact CA-OE2 3.42Å; T422-E425 PolarHBondContact N-OE2 3.11Å; T422-E425 PolarHBondContact O-N 2.69Å; T422-E425 VanDerWaalsContact OG1-CD 3.3Å; T422-E425 VanDerWaalsContact OG1-CG 3.27Å; T422-E425 WeakPolarHBondContact OG1-CG 3.43Å; T422-E425 PolarHBondContact OG1-N 3.33Å; T422-E425 PolarHBondContact OG1-OE2 3.11Å; E425-S427 VanDerWaalsContact C-N 3.31Å; E425-S427 PolarHBondContact O-N 3.19Å; E425-L428 PolarHBondContact O-N 3.33Å; E425-L428 VanDerWaalsContact O-N 3.15Å; E425-L429 WeakPolarHBondContact O-CG 3.27Å; E425-L429 PolarHBondContact O-N 3.36Å |
| 426 | K | 73.9 | Confident | 71 | Confident | 82 Ų | 82 | 83.1 Ų | 83.1 | 36% | 0.357 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -57.2 | -46.2 | 173.4 | -67.3 | 175.3 | -172.3 | 163.3 | 0 | 111.1 | T421 T422 L424 L428 L429 I430 | T421-K426 WeakPolarHBondContact O-CE 3.41Å; T421-K426 WeakPolarHBondContact OG1-CE 3.47Å; T422-K426 PolarHBondContact O-N 3.07Å; T422-K426 VanDerWaalsContact O-N 3.08Å; L424-K426 PolarHBondContact O-N 3.19Å; K426-L428 VanDerWaalsContact C-N 3.29Å; K426-L428 PolarHBondContact O-N 2.98Å; K426-L429 PolarHBondContact O-N 3.49Å; K426-I430 VanDerWaalsContact O-CG1 3.3Å; K426-I430 WeakPolarHBondContact O-CG1 3.47Å; K426-I430 PolarHBondContact O-N 3.49Å; K426-I430 VanDerWaalsContact O-N 3.08Å |
| 427 | S | 72.8 | Confident | 69.8 | Low | 1 Ų | 1 | 82.1 Ų | 82.1 | 1% | 0.007 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -63.4 | -32.5 | 178.3 | 84 | 0 | 0 | 0 | 0 | 113.3 | L247 D423 L424 E425 R431 | L247-S427 WeakPolarHBondContact O-CB 3.3Å; D423-S427 WeakPolarHBondContact O-CB 3.38Å; D423-S427 PolarHBondContact O-N 3.46Å; L424-S427 WeakPolarHBondContact O-CB 3.34Å; L424-S427 PolarHBondContact O-N 3.48Å; L424-S427 PolarHBondContact O-OG 3.19Å; E425-S427 VanDerWaalsContact C-N 3.31Å; E425-S427 PolarHBondContact O-N 3.19Å; S427-R431 WeakPolarHBondContact O-CG 3.46Å; S427-R431 PolarHBondContact O-N 3.37Å; S427-R431 PolarHBondContact O-NE 3.07Å; S427-R431 VanDerWaalsContact O-NE 3.07Å; S427-R431 PolarHBondContact OG-NH2 3.39Å |
| 428 | L | 77.1 | Confident | 68.6 | Low | 91 Ų | 91 | 74.7 Ų | 74.7 | 48% | 0.476 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -74.1 | -43 | 177.9 | -71.8 | 173.1 | 0 | 0 | 0 | 111 | L424 E425 K426 I430 R431 Y432 | L424-L428 HydrophobicContact CG-CD1 4.4Å; L424-L428 WeakPolarHBondContact O-CG 3.09Å; L424-L428 PolarHBondContact O-N 3.08Å; E425-L428 PolarHBondContact O-N 3.33Å; E425-L428 VanDerWaalsContact O-N 3.15Å; K426-L428 VanDerWaalsContact C-N 3.29Å; K426-L428 PolarHBondContact O-N 2.98Å; L428-I430 VanDerWaalsContact C-N 3.26Å; L428-I430 PolarHBondContact O-N 3.03Å; L428-R431 PolarHBondContact O-N 2.84Å; L428-R431 VanDerWaalsContact O-N 3.15Å; L428-Y432 WeakPolarHBondContact O-CB 3.09Å; L428-Y432 PolarHBondContact O-N 2.92Å |
| 429 | L | 74.3 | Confident | 67.9 | Low | 119 Ų | 119 | 73.7 Ų | 73.7 | 62% | 0.623 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -62.1 | -34 | 176.4 | -72.3 | 169.2 | 0 | 0 | 0 | 112.4 | E425 K426 | E425-L429 WeakPolarHBondContact O-CG 3.27Å; E425-L429 PolarHBondContact O-N 3.36Å; K426-L429 PolarHBondContact O-N 3.49Å |
| 430 | I | 71.2 | Confident | 67.6 | Low | 68 Ų | 68 | 73.8 Ų | 73.8 | 35% | 0.349 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -70.8 | -37.6 | 175.5 | -66.5 | 168 | 0 | 0 | 0 | 111.5 | E250 K426 L428 | E250-I430 HydrophobicContact CB-CG2 4.06Å; E250-I430 WeakPolarHBondContact OE2-CD1 3.44Å; E250-I430 WeakPolarHBondContact OE2-CG2 3.27Å; K426-I430 VanDerWaalsContact O-CG1 3.3Å; K426-I430 WeakPolarHBondContact O-CG1 3.47Å; K426-I430 PolarHBondContact O-N 3.49Å; K426-I430 VanDerWaalsContact O-N 3.08Å; L428-I430 VanDerWaalsContact C-N 3.26Å; L428-I430 PolarHBondContact O-N 3.03Å |
| 431 | R | 70.6 | Confident | 67.2 | Low | 64 Ų | 64 | 64.9 Ų | 64.9 | 24% | 0.242 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -71 | -37.8 | 177.2 | -75.5 | -179 | -92.9 | -167.9 | -11 | 112.3 | W243 M244 P249 S427 L428 Q433 | W243-R431 HydrophobicContact CH2-CG 4.27Å; W243-R431 HydrophobicContact CZ2-CB 4.47Å; W243-R431 HydrophobicContact CZ2-CG 3.87Å; M244-R431 PolarHBondContact O-NH1 3.12Å; P249-R431 HydrophobicContact CB-CG 4.03Å; P249-R431 HydrophobicContact CG-CG 3.85Å; S427-R431 WeakPolarHBondContact O-CG 3.46Å; S427-R431 PolarHBondContact O-N 3.37Å; S427-R431 PolarHBondContact O-NE 3.07Å; S427-R431 VanDerWaalsContact O-NE 3.07Å; S427-R431 PolarHBondContact OG-NH2 3.39Å; L428-R431 PolarHBondContact O-N 2.84Å; L428-R431 VanDerWaalsContact O-N 3.15Å; R431-Q433 PolarHBondContact O-N 3.48Å |
| 432 | Y | 74.1 | Confident | 66.8 | Low | 77 Ų | 77 | 64.2 Ų | 64.2 | 30% | 0.302 | 33% | 0.325 | S | S | . | . | trans | -86.7 | 102 | -177.9 | -174.4 | -102.8 | 0 | 0 | 0 | 111 | L428 I434 L464 Y465 E468 | L428-Y432 WeakPolarHBondContact O-CB 3.09Å; L428-Y432 PolarHBondContact O-N 2.92Å; Y432-I434 HydrophobicContact CD1-CG1 4.27Å; Y432-I434 HydrophobicContact CE1-CD1 4.08Å; Y432-I434 HydrophobicContact CE1-CG1 3.55Å; Y432-L464 HydrophobicContact CE2-CD2 4.32Å; Y432-L464 WeakPolarHBondContact OH-CD2 3.29Å; Y432-Y465 AromaticContact CE2-CE1 3.7Å; Y432-Y465 HydrophobicContact CE2-CE1 3.7Å; Y432-Y465 AromaticContact CZ-CE1 3.77Å; Y432-Y465 WeakPolarHBondContact OH-CD1 3.08Å; Y432-Y465 VanDerWaalsContact OH-CE1 3.31Å; Y432-Y465 WeakPolarHBondContact OH-CE1 3.38Å; Y432-E468 PolarHBondContact OH-OE1 2.96Å; Y432-E468 PolarHBondContact OH-OE2 3.2Å | ||
| 433 | Q | 67.4 | Low | 66.3 | Low | 91 Ų | 91 | 60.7 Ų | 60.7 | 43% | 0.425 | 30% | 0.304 | S | S | . | . | trans | -111.2 | 126 | 173.8 | -64.1 | -156.4 | 2.8 | 0 | 0 | 111.2 | R431 | R431-Q433 PolarHBondContact O-N 3.48Š| ||
| 434 | I | 64.8 | Low | 65.8 | Low | 35 Ų | 35 | 56.3 Ų | 56.3 | 18% | 0.179 | 28% | 0.28 | C | S | . | . | trans | -76.8 | 128 | 177 | -57.7 | 173.4 | 0 | 0 | 0 | 107.4 | Y432 L436 E468 I469 | Y432-I434 HydrophobicContact CD1-CG1 4.27Å; Y432-I434 HydrophobicContact CE1-CD1 4.08Å; Y432-I434 HydrophobicContact CE1-CG1 3.55Å; I434-L436 PolarHBondContact O-N 3.29Å; I434-E468 WeakPolarHBondContact CD1-OE2 3.35Å; I434-E468 WeakPolarHBondContact CG1-OE2 3.41Å; I434-I469 HydrophobicContact CG2-CD1 4.16Å; I434-I469 HydrophobicContact CG2-CG1 4.23Å | ||
| 435 | P | 62.8 | Low | 65.4 | Low | 17 Ų | 17 | 51.8 Ų | 51.8 | 11% | 0.11 | 26% | 0.256 | C | S | . | . | trans | -58.1 | 129.5 | 179.7 | -20.4 | 29.7 | 0 | 0 | 0 | 111.5 | S437 Q440 L441 Y465 | P435-S437 VanDerWaalsContact C-N 3.29Å; P435-S437 PolarHBondContact O-N 2.9Å; P435-Q440 HydrophobicContact CB-CB 3.49Å; P435-Q440 VanDerWaalsContact CB-CB 3.49Å; P435-Q440 HydrophobicContact CB-CG 4.48Å; P435-L441 HydrophobicContact CB-CD2 3.74Å; P435-L441 HydrophobicContact CB-CG 4.04Å; P435-L441 HydrophobicContact CG-CD2 3.69Å; P435-L441 HydrophobicContact CG-CG 4.49Å; P435-Y465 VanDerWaalsContact CD-CG 3.48Å; P435-Y465 HydrophobicContact CG-CD1 4.12Å; P435-Y465 HydrophobicContact CG-CD2 3.6Å; P435-Y465 HydrophobicContact CG-CE1 4.32Å; P435-Y465 HydrophobicContact CG-CE2 3.86Å; P435-Y465 HydrophobicContact CG-CG 3.76Å | ||
| 436 | L | 55.3 | Low | 65.1 | Low | 117 Ų | 117 | 48.8 Ų | 48.8 | 61% | 0.613 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -81.2 | -5 | -165.3 | -68.6 | 167.6 | 0 | 0 | 0 | 113.8 | D407 I434 | D407-L436 WeakPolarHBondContact OD2-CD2 3.49Å; I434-L436 PolarHBondContact O-N 3.29Å |
| 437 | S | 55.9 | Low | 64.7 | Low | 41 Ų | 41 | 47.4 Ų | 47.4 | 29% | 0.287 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -145.3 | 151.3 | -176.2 | 62.2 | 0 | 0 | 0 | 0 | 112.6 | P435 D439 Q440 L441 | P435-S437 VanDerWaalsContact C-N 3.29Å; P435-S437 PolarHBondContact O-N 2.9Å; S437-D439 PolarHBondContact O-N 3.49Å; S437-D439 VanDerWaalsContact O-N 3.12Å; S437-Q440 PolarHBondContact O-N 3.47Å; S437-L441 WeakPolarHBondContact O-CD1 3.42Å; S437-L441 WeakPolarHBondContact O-CG 3.44Å |
| 438 | A | 53.2 | Low | 64.7 | Low | 9 Ų | 9 | 49.7 Ų | 49.7 | 7% | 0.074 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -52.3 | -30.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | K396 L399 V400 Q440 L441 F442 | K396-A438 HydrophobicContact CB-CB 4.15Å; K396-A438 HydrophobicContact CG-CB 4.07Å; L399-A438 HydrophobicContact CB-CB 3.84Å; L399-A438 HydrophobicContact CD1-CB 4.31Å; V400-A438 HydrophobicContact CG2-CB 4.31Å; A438-Q440 PolarHBondContact O-N 2.92Å; A438-L441 PolarHBondContact O-N 3.43Å; A438-F442 HydrophobicContact CB-CD2 4.39Å; A438-F442 PolarHBondContact O-N 3.04Å; A438-F442 VanDerWaalsContact O-N 3.15Å |
| 439 | D | 51.8 | Low | 64.4 | Low | 74 Ų | 74 | 55.5 Ų | 55.5 | 40% | 0.396 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -63.6 | -25.8 | 176.5 | -64.4 | -47.5 | 0 | 0 | 0 | 113.7 | K396 S437 | K396-D439 VanDerWaalsContact CD-OD1 3.25Å; K396-D439 WeakPolarHBondContact CD-OD1 3.25Å; K396-D439 VanDerWaalsContact CE-OD1 3.28Å; K396-D439 WeakPolarHBondContact CE-OD1 3.35Å; K396-D439 IonicContact NZ-OD1 2.98Å; K396-D439 PolarHBondContact NZ-OD1 2.94Å; S437-D439 PolarHBondContact O-N 3.49Å; S437-D439 VanDerWaalsContact O-N 3.12Å |
| 440 | Q | 59.1 | Low | 64.4 | Low | 65 Ų | 65 | 53.3 Ų | 53.3 | 30% | 0.304 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -92.1 | -5.3 | -180 | -63.8 | 174.2 | -16.3 | 0 | 0 | 114.8 | R362 M380 P435 S437 A438 | R362-Q440 PolarHBondContact NH2-O 3.31Å; M380-Q440 VanDerWaalsContact CE-CA 3.45Å; M380-Q440 HydrophobicContact CE-CB 3.93Å; M380-Q440 HydrophobicContact CE-CG 3.78Å; P435-Q440 HydrophobicContact CB-CB 3.49Å; P435-Q440 VanDerWaalsContact CB-CB 3.49Å; P435-Q440 HydrophobicContact CB-CG 4.48Å; S437-Q440 PolarHBondContact O-N 3.47Å; A438-Q440 PolarHBondContact O-N 2.92Å |
| 441 | L | 58.3 | Low | 64.9 | Low | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.4 | -36.1 | -167 | -61.9 | 156.9 | 0 | 0 | 0 | 112.5 | P435 S437 A438 T443 V446 Y465 I466 I469 | P435-L441 HydrophobicContact CB-CD2 3.74Å; P435-L441 HydrophobicContact CB-CG 4.04Å; P435-L441 HydrophobicContact CG-CD2 3.69Å; P435-L441 HydrophobicContact CG-CG 4.49Å; S437-L441 WeakPolarHBondContact O-CD1 3.42Å; S437-L441 WeakPolarHBondContact O-CG 3.44Å; A438-L441 PolarHBondContact O-N 3.43Å; L441-T443 VanDerWaalsContact C-N 3.28Å; L441-T443 PolarHBondContact O-N 3.02Å; L441-V446 WeakPolarHBondContact O-CG2 3.26Å; L441-Y465 HydrophobicContact CD2-CD2 4.46Å; L441-Y465 HydrophobicContact CD2-CG 4.13Å; L441-I466 HydrophobicContact CB-CG1 4.38Å; L441-I469 HydrophobicContact CD1-CD1 2.99Å; L441-I469 HydrophobicContact CD1-CG1 4.36Å; L441-I469 HydrophobicContact CD2-CD1 3.73Å; L441-I469 HydrophobicContact CG-CD1 3.96Å |
| 442 | F | 60.7 | Low | 65.2 | Low | 28 Ų | 28 | 54.4 Ų | 54.4 | 12% | 0.123 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -91.3 | 75.9 | 173.5 | -70.6 | -60.3 | 0 | 0 | 0 | 108.9 | L392 A395 K396 L399 A438 I466 | L392-F442 HydrophobicContact CD2-CB 3.85Å; L392-F442 WeakPolarHBondContact CD2-O 3.22Å; A395-F442 HydrophobicContact CB-CD1 3.94Å; A395-F442 HydrophobicContact CB-CD2 4.04Å; A395-F442 HydrophobicContact CB-CE1 3.75Å; A395-F442 HydrophobicContact CB-CE2 3.77Å; A395-F442 HydrophobicContact CB-CG 4.09Å; A395-F442 HydrophobicContact CB-CZ 3.66Å; A395-F442 VanDerWaalsContact O-CE2 3.24Å; A395-F442 WeakPolarHBondContact O-CE2 3.49Å; K396-F442 HydrophobicContact CB-CD2 4.48Å; K396-F442 HydrophobicContact CG-CB 4.15Å; K396-F442 HydrophobicContact CG-CD2 3.85Å; K396-F442 HydrophobicContact CG-CG 4.46Å; L399-F442 HydrophobicContact CB-CE2 4.21Å; L399-F442 HydrophobicContact CD1-CD2 3.92Å; L399-F442 HydrophobicContact CD1-CE2 3.06Å; L399-F442 HydrophobicContact CD1-CZ 3.48Å; L399-F442 VanDerWaalsContact CD1-CZ 3.48Å; L399-F442 HydrophobicContact CG-CE2 3.52Å; L399-F442 HydrophobicContact CG-CZ 3.91Å; A438-F442 HydrophobicContact CB-CD2 4.39Å; A438-F442 PolarHBondContact O-N 3.04Å; A438-F442 VanDerWaalsContact O-N 3.15Å; F442-I466 HydrophobicContact CD1-CD1 4.41Å; F442-I466 HydrophobicContact CE1-CD1 4.3Å |
| 443 | T | 65.9 | Low | 65.4 | Low | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.312 | C | S | . | . | trans | -95.1 | 159.7 | 178.3 | 50 | 0 | 0 | 0 | 0 | 109.5 | T360 D382 L441 S445 V446 D462 | T360-T443 HydrophobicContact CG2-CG2 3.69Å; T360-T443 VanDerWaalsContact OG1-CB 3.22Å; T360-T443 WeakPolarHBondContact OG1-CB 3.33Å; D382-T443 WeakPolarHBondContact OD1-CA 3.15Å; D382-T443 WeakPolarHBondContact OD1-CB 3.39Å; D382-T443 WeakPolarHBondContact OD1-CG2 3.25Å; L441-T443 VanDerWaalsContact C-N 3.28Å; L441-T443 PolarHBondContact O-N 3.02Å; T443-S445 WeakPolarHBondContact CB-OG 3.32Å; T443-S445 PolarHBondContact O-N 3.25Å; T443-S445 PolarHBondContact OG1-OG 3.11Å; T443-V446 WeakPolarHBondContact O-CB 3.45Å; T443-V446 PolarHBondContact O-N 3.32Å; T443-D462 PolarHBondContact OG1-OD2 3.49Å; T443-D462 VanDerWaalsContact OG1-OD2 3.05Å | ||
| 444 | Q | 63.7 | Low | 65.7 | Low | 11 Ų | 11 | 62.1 Ų | 62.1 | 5% | 0.051 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.5 | -32 | 179.9 | -178.2 | 63.8 | 6.6 | 0 | 0 | 112.3 | F358 T360 D388 V446 L447 D448 | F358-Q444 HydrophobicContact CB-CG 4.42Å; T360-Q444 PolarHBondContact OG1-N 3.49Å; D388-Q444 PolarHBondContact OD2-NE2 3.16Å; D388-Q444 VanDerWaalsContact OD2-NE2 3.13Å; Q444-V446 PolarHBondContact O-N 2.94Å; Q444-V446 VanDerWaalsContact O-N 3.13Å; Q444-L447 PolarHBondContact O-N 3.47Å; Q444-D448 PolarHBondContact O-N 2.92Å |
| 445 | S | 66.6 | Low | 66.2 | Low | 5 Ų | 5 | 61.4 Ų | 61.4 | 4% | 0.035 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -54 | -29.3 | 174.7 | 52.2 | 0 | 0 | 0 | 0 | 113.8 | T443 R459 D462 | T443-S445 WeakPolarHBondContact CB-OG 3.32Å; T443-S445 PolarHBondContact O-N 3.25Å; T443-S445 PolarHBondContact OG1-OG 3.11Å; S445-R459 VanDerWaalsContact O-CD 3.25Å; S445-R459 WeakPolarHBondContact O-CD 3.24Å; S445-R459 WeakPolarHBondContact O-CG 3.47Å; S445-D462 PolarHBondContact OG-OD2 3.43Å |
| 446 | V | 66.9 | Low | 67.1 | Low | 28 Ų | 28 | 67 Ų | 67 | 17% | 0.17 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -75 | -32 | 178.3 | 177.9 | 0 | 0 | 0 | 0 | 111.2 | L441 T443 Q444 D462 I466 | L441-V446 WeakPolarHBondContact O-CG2 3.26Å; T443-V446 WeakPolarHBondContact O-CB 3.45Å; T443-V446 PolarHBondContact O-N 3.32Å; Q444-V446 PolarHBondContact O-N 2.94Å; Q444-V446 VanDerWaalsContact O-N 3.13Å; V446-D462 HydrophobicContact CG2-CB 3.6Å; V446-I466 HydrophobicContact CB-CD1 4.37Å; V446-I466 HydrophobicContact CG1-CD1 3.68Å; V446-I466 HydrophobicContact CG2-CD1 3.73Å |
| 447 | L | 67.3 | Low | 68.2 | Low | 54 Ų | 54 | 68.2 Ų | 68.2 | 28% | 0.283 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -81.8 | -15.4 | 179.9 | -62.6 | -176.4 | 0 | 0 | 0 | 113.6 | D388 L392 Q444 K449 | D388-L447 HydrophobicContact CB-CD1 3.56Å; L392-L447 HydrophobicContact CD1-CD1 4.17Å; L392-L447 HydrophobicContact CD2-CD1 3.43Å; L392-L447 VanDerWaalsContact CD2-CD1 3.43Å; L392-L447 HydrophobicContact CD2-CD2 4.14Å; L392-L447 HydrophobicContact CD2-CG 3.68Å; L392-L447 HydrophobicContact CG-CD1 3.59Å; L392-L447 HydrophobicContact CG-CG 4.39Å; Q444-L447 PolarHBondContact O-N 3.47Å; L447-K449 PolarHBondContact O-N 2.94Å |
| 448 | D | 72.1 | Confident | 69 | Low | 49 Ų | 49 | 68 Ų | 68 | 26% | 0.262 | 35% | 0.347 | S | S | . | . | trans | -54.8 | 122.5 | 178.2 | -81.4 | -15.1 | 0 | 0 | 0 | 111.5 | Q444 S450 N455 R459 | Q444-D448 PolarHBondContact O-N 2.92Å; D448-S450 VanDerWaalsContact C-N 3.29Å; D448-S450 PolarHBondContact O-N 3.37Å; D448-N455 PolarHBondContact OD2-ND2 3.02Å; D448-R459 PolarHBondContact O-NH1 3.07Å; D448-R459 PolarHBondContact O-NH2 3.3Å | ||
| 449 | K | 69.9 | Low | 70.3 | Confident | 212 Ų | 212 | 69.6 Ų | 69.6 | 92% | 0.922 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -68.8 | -26.3 | -176.7 | -65.5 | -177.6 | -177.5 | 176.4 | 0 | 113.2 | L447 | L447-K449 PolarHBondContact O-N 2.94Š|
| 450 | S | 75 | Confident | 71.8 | Confident | 74 Ų | 74 | 69.2 Ų | 69.2 | 52% | 0.517 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -128.4 | 145.7 | -178 | 55.1 | 0 | 0 | 0 | 0 | 112.7 | D448 N455 R459 | D448-S450 VanDerWaalsContact C-N 3.29Å; D448-S450 PolarHBondContact O-N 3.37Å; S450-N455 PolarHBondContact O-ND2 3.15Å; S450-R459 VanDerWaalsContact C-NH1 3.32Å; S450-R459 PolarHBondContact O-NH1 2.93Å |
| 451 | L | 81.8 | Confident | 72.9 | Confident | 97 Ų | 97 | 70 Ų | 70 | 51% | 0.508 | 35% | 0.353 | S | S | . | . | trans | -79.7 | 128 | 169.1 | -73.8 | 165 | 0 | 0 | 0 | 108.9 | Y456 R459 L460 | L451-Y456 HydrophobicContact CD2-CD2 4.03Å; L451-R459 HydrophobicContact CD2-CB 4.32Å; L451-R459 HydrophobicContact CD2-CG 4.17Å; L451-L460 HydrophobicContact CD2-CD2 3.88Å | ||
| 452 | T | 77.6 | Confident | 73.8 | Confident | 58 Ų | 58 | 70 Ų | 70 | 36% | 0.356 | 35% | 0.352 | S | S | . | . | trans | -124 | 161.2 | 176.5 | 66.5 | 0 | 0 | 0 | 0 | 109.3 | S454 N455 Y456 | T452-S454 PolarHBondContact O-N 2.83Å; T452-S454 VanDerWaalsContact O-N 3.16Å; T452-S454 PolarHBondContact OG1-OG 3.35Å; T452-N455 PolarHBondContact N-OD1 2.97Å; T452-N455 PolarHBondContact O-N 3.17Å; T452-N455 PolarHBondContact O-OD1 3.45Å; T452-N455 VanDerWaalsContact O-OD1 3.12Å; T452-N455 PolarHBondContact OG1-N 2.99Å; T452-N455 PolarHBondContact OG1-ND2 3.47Å; T452-N455 PolarHBondContact OG1-OD1 3.47Å; T452-N455 VanDerWaalsContact OG1-OD1 3.08Å; T452-Y456 WeakPolarHBondContact O-CB 3.45Å; T452-Y456 PolarHBondContact O-N 2.91Å | ||
| 453 | K | 78.2 | Confident | 74.8 | Confident | 216 Ų | 216 | 72.1 Ų | 72.1 | 94% | 0.939 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -32.3 | 178.6 | -173 | 179.3 | 177.6 | -176.8 | 0 | 112.5 | ||
| 454 | S | 72.5 | Confident | 75.6 | Confident | 114 Ų | 114 | 75.7 Ų | 75.7 | 80% | 0.797 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -28.1 | -177.9 | 50 | 0 | 0 | 0 | 0 | 114.2 | T452 | T452-S454 PolarHBondContact O-N 2.83Å; T452-S454 VanDerWaalsContact O-N 3.16Å; T452-S454 PolarHBondContact OG1-OG 3.35Å |
| 455 | N | 75.9 | Confident | 76.3 | Confident | 20 Ų | 20 | 76.6 Ų | 76.6 | 11% | 0.107 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | -11 | -179.6 | 75.5 | 5.5 | 0 | 0 | 0 | 114.3 | D448 S450 T452 Q457 S458 R459 | D448-N455 PolarHBondContact OD2-ND2 3.02Å; S450-N455 PolarHBondContact O-ND2 3.15Å; T452-N455 PolarHBondContact N-OD1 2.97Å; T452-N455 PolarHBondContact O-N 3.17Å; T452-N455 PolarHBondContact O-OD1 3.45Å; T452-N455 VanDerWaalsContact O-OD1 3.12Å; T452-N455 PolarHBondContact OG1-N 2.99Å; T452-N455 PolarHBondContact OG1-ND2 3.47Å; T452-N455 PolarHBondContact OG1-OD1 3.47Å; T452-N455 VanDerWaalsContact OG1-OD1 3.08Å; N455-Q457 PolarHBondContact O-N 3.39Å; N455-S458 PolarHBondContact O-N 3.23Å; N455-R459 VanDerWaalsContact O-CB 3.26Å; N455-R459 WeakPolarHBondContact O-CB 3.13Å; N455-R459 PolarHBondContact O-N 3.41Å |
| 456 | Y | 80.7 | Confident | 76.8 | Confident | 134 Ų | 134 | 78.2 Ų | 78.2 | 53% | 0.525 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -52.9 | -53.7 | -173.8 | 178.2 | -94 | 0 | 0 | 0 | 112.5 | L451 T452 R459 L460 | L451-Y456 HydrophobicContact CD2-CD2 4.03Å; T452-Y456 WeakPolarHBondContact O-CB 3.45Å; T452-Y456 PolarHBondContact O-N 2.91Å; Y456-R459 PolarHBondContact O-N 3.47Å; Y456-L460 HydrophobicContact CD2-CD2 3.82Å; Y456-L460 HydrophobicContact CE1-CD2 4.48Å; Y456-L460 HydrophobicContact CE1-CG 4.32Å; Y456-L460 HydrophobicContact CE2-CD2 3.65Å; Y456-L460 HydrophobicContact CE2-CG 4.16Å; Y456-L460 HydrophobicContact CG-CD2 4.31Å; Y456-L460 WeakPolarHBondContact O-CB 3.47Å; Y456-L460 WeakPolarHBondContact O-CD2 3.48Å; Y456-L460 PolarHBondContact O-N 2.88Å |
| 457 | Q | 78.4 | Confident | 77.6 | Confident | 143 Ų | 143 | 82.4 Ų | 82.4 | 67% | 0.668 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -62.2 | -53.1 | -175.7 | -174.1 | 178.5 | 1.2 | 0 | 0 | 111.4 | N455 R459 L460 H461 | N455-Q457 PolarHBondContact O-N 3.39Å; Q457-R459 VanDerWaalsContact C-N 3.32Å; Q457-R459 PolarHBondContact O-N 3.33Å; Q457-L460 PolarHBondContact O-N 3.03Å; Q457-H461 PolarHBondContact O-CD2 3.18Å; Q457-H461 VanDerWaalsContact O-CD2 3.26Å; Q457-H461 PolarHBondContact O-N 3.04Å; Q457-H461 VanDerWaalsContact O-N 3.11Å |
| 458 | S | 73.8 | Confident | 78.2 | Confident | 36 Ų | 36 | 82.4 Ų | 82.4 | 25% | 0.252 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -57.6 | -47.5 | 179.9 | -169.1 | 0 | 0 | 0 | 0 | 111.1 | N455 L460 H461 D462 | N455-S458 PolarHBondContact O-N 3.23Å; S458-L460 PolarHBondContact O-N 2.7Å; S458-H461 PolarHBondContact O-N 3.28Å; S458-D462 PolarHBondContact O-N 2.78Å; S458-D462 PolarHBondContact OG-OD2 3Å |
| 459 | R | 80 | Confident | 78.5 | Confident | 43 Ų | 43 | 81.1 Ų | 81.1 | 16% | 0.162 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -62.4 | -41.7 | -177.8 | -178.2 | 169.1 | 172.9 | 179.2 | 13.2 | 112.6 | S445 D448 S450 L451 N455 Y456 Q457 D462 L463 | S445-R459 VanDerWaalsContact O-CD 3.25Å; S445-R459 WeakPolarHBondContact O-CD 3.24Å; S445-R459 WeakPolarHBondContact O-CG 3.47Å; D448-R459 PolarHBondContact O-NH1 3.07Å; D448-R459 PolarHBondContact O-NH2 3.3Å; S450-R459 VanDerWaalsContact C-NH1 3.32Å; S450-R459 PolarHBondContact O-NH1 2.93Å; L451-R459 HydrophobicContact CD2-CB 4.32Å; L451-R459 HydrophobicContact CD2-CG 4.17Å; N455-R459 VanDerWaalsContact O-CB 3.26Å; N455-R459 WeakPolarHBondContact O-CB 3.13Å; N455-R459 PolarHBondContact O-N 3.41Å; Y456-R459 PolarHBondContact O-N 3.47Å; Q457-R459 VanDerWaalsContact C-N 3.32Å; Q457-R459 PolarHBondContact O-N 3.33Å; R459-D462 PolarHBondContact O-N 3.42Å; R459-L463 HydrophobicContact CG-CD1 4.08Å; R459-L463 HydrophobicContact CG-CG 4.35Å; R459-L463 WeakPolarHBondContact O-CB 3.33Å; R459-L463 VanDerWaalsContact O-CG 3.24Å; R459-L463 WeakPolarHBondContact O-CG 3.41Å; R459-L463 PolarHBondContact O-N 3.05Å |
| 460 | L | 84.1 | Confident | 78.9 | Confident | 65 Ų | 65 | 73.3 Ų | 73.3 | 34% | 0.34 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -65.9 | -40.1 | 178.3 | -92.6 | -67.6 | 0 | 0 | 0 | 111.9 | L451 Y456 Q457 S458 L464 | L451-L460 HydrophobicContact CD2-CD2 3.88Å; Y456-L460 HydrophobicContact CD2-CD2 3.82Å; Y456-L460 HydrophobicContact CE1-CD2 4.48Å; Y456-L460 HydrophobicContact CE1-CG 4.32Å; Y456-L460 HydrophobicContact CE2-CD2 3.65Å; Y456-L460 HydrophobicContact CE2-CG 4.16Å; Y456-L460 HydrophobicContact CG-CD2 4.31Å; Y456-L460 WeakPolarHBondContact O-CB 3.47Å; Y456-L460 WeakPolarHBondContact O-CD2 3.48Å; Y456-L460 PolarHBondContact O-N 2.88Å; Q457-L460 PolarHBondContact O-N 3.03Å; S458-L460 PolarHBondContact O-N 2.7Å; L460-L464 WeakPolarHBondContact O-CB 3.32Å; L460-L464 PolarHBondContact O-N 2.78Å |
| 461 | H | 80.7 | Confident | 79.2 | Confident | 83 Ų | 83 | 73 Ų | 73 | 38% | 0.384 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62 | -45.4 | 173.2 | -85.1 | -88.3 | 0 | 0 | 0 | 111.7 | Q457 S458 L463 L464 Y465 | Q457-H461 PolarHBondContact O-CD2 3.18Å; Q457-H461 VanDerWaalsContact O-CD2 3.26Å; Q457-H461 PolarHBondContact O-N 3.04Å; Q457-H461 VanDerWaalsContact O-N 3.11Å; S458-H461 PolarHBondContact O-N 3.28Å; H461-L463 PolarHBondContact O-N 2.98Å; H461-L464 PolarHBondContact O-N 2.65Å; H461-Y465 HydrophobicContact CB-CE2 4.18Å; H461-Y465 WeakPolarHBondContact O-CD2 3.4Å; H461-Y465 VanDerWaalsContact O-CG 3.29Å; H461-Y465 PolarHBondContact O-N 2.99Å |
| 462 | D | 77.4 | Confident | 79.1 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66 | -39.9 | -178.9 | -60.1 | -30.8 | 0 | 0 | 0 | 111.7 | R362 T443 S445 V446 S458 R459 L464 Y465 I466 | R362-D462 IonicContact CZ-OD1 2.68Å; R362-D462 VanDerWaalsContact CZ-OD1 3.27Å; R362-D462 IonicContact NH1-OD1 2.57Å; R362-D462 PolarHBondContact NH1-OD1 3Å; R362-D462 IonicContact NH2-OD1 2.72Å; R362-D462 PolarHBondContact NH2-OD1 3.34Å; T443-D462 PolarHBondContact OG1-OD2 3.49Å; T443-D462 VanDerWaalsContact OG1-OD2 3.05Å; S445-D462 PolarHBondContact OG-OD2 3.43Å; V446-D462 HydrophobicContact CG2-CB 3.6Å; S458-D462 PolarHBondContact O-N 2.78Å; S458-D462 PolarHBondContact OG-OD2 3Å; R459-D462 PolarHBondContact O-N 3.42Å; D462-L464 PolarHBondContact O-N 3.35Å; D462-Y465 PolarHBondContact O-N 3.48Å; D462-I466 VanDerWaalsContact O-CG1 3.26Å; D462-I466 WeakPolarHBondContact O-CG1 3.27Å; D462-I466 PolarHBondContact O-N 3.18Å |
| 463 | L | 81.3 | Confident | 79.1 | Confident | 72 Ų | 72 | 71 Ų | 71 | 38% | 0.377 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.7 | -40.7 | 173.2 | -71.7 | 174.6 | 0 | 0 | 0 | 112.4 | R459 H461 I466 E467 | R459-L463 HydrophobicContact CG-CD1 4.08Å; R459-L463 HydrophobicContact CG-CG 4.35Å; R459-L463 WeakPolarHBondContact O-CB 3.33Å; R459-L463 VanDerWaalsContact O-CG 3.24Å; R459-L463 WeakPolarHBondContact O-CG 3.41Å; R459-L463 PolarHBondContact O-N 3.05Å; H461-L463 PolarHBondContact O-N 2.98Å; L463-I466 PolarHBondContact O-N 3.36Å; L463-E467 PolarHBondContact O-N 3.13Å |
| 464 | L | 83.9 | Confident | 79.3 | Confident | 76 Ų | 76 | 63 Ų | 63 | 40% | 0.398 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.7 | -42.4 | 177.1 | -175.3 | 142.3 | 0 | 0 | 0 | 111.2 | Y432 L460 H461 D462 I466 E467 E468 | Y432-L464 HydrophobicContact CE2-CD2 4.32Å; Y432-L464 WeakPolarHBondContact OH-CD2 3.29Å; L460-L464 WeakPolarHBondContact O-CB 3.32Å; L460-L464 PolarHBondContact O-N 2.78Å; H461-L464 PolarHBondContact O-N 2.65Å; D462-L464 PolarHBondContact O-N 3.35Å; L464-I466 VanDerWaalsContact C-N 3.35Å; L464-I466 PolarHBondContact O-N 2.96Å; L464-E467 PolarHBondContact O-N 3.11Å; L464-E468 HydrophobicContact CD2-CG 4.39Å; L464-E468 WeakPolarHBondContact O-CG 3.32Å; L464-E468 PolarHBondContact O-N 2.92Å |
| 465 | Y | 77.8 | Confident | 79.7 | Confident | 30 Ų | 30 | 59.8 Ų | 59.8 | 12% | 0.118 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.8 | -38.3 | 175.3 | -60.5 | -46.9 | 0 | 0 | 0 | 112.9 | Y432 P435 L441 H461 D462 E467 E468 I469 | Y432-Y465 AromaticContact CE2-CE1 3.7Å; Y432-Y465 HydrophobicContact CE2-CE1 3.7Å; Y432-Y465 AromaticContact CZ-CE1 3.77Å; Y432-Y465 WeakPolarHBondContact OH-CD1 3.08Å; Y432-Y465 VanDerWaalsContact OH-CE1 3.31Å; Y432-Y465 WeakPolarHBondContact OH-CE1 3.38Å; P435-Y465 VanDerWaalsContact CD-CG 3.48Å; P435-Y465 HydrophobicContact CG-CD1 4.12Å; P435-Y465 HydrophobicContact CG-CD2 3.6Å; P435-Y465 HydrophobicContact CG-CE1 4.32Å; P435-Y465 HydrophobicContact CG-CE2 3.86Å; P435-Y465 HydrophobicContact CG-CG 3.76Å; L441-Y465 HydrophobicContact CD2-CD2 4.46Å; L441-Y465 HydrophobicContact CD2-CG 4.13Å; H461-Y465 HydrophobicContact CB-CE2 4.18Å; H461-Y465 WeakPolarHBondContact O-CD2 3.4Å; H461-Y465 VanDerWaalsContact O-CG 3.29Å; H461-Y465 PolarHBondContact O-N 2.99Å; D462-Y465 PolarHBondContact O-N 3.48Å; Y465-E467 VanDerWaalsContact C-N 3.34Å; Y465-E468 PolarHBondContact O-N 3.3Å; Y465-I469 PolarHBondContact O-N 2.76Å; Y465-I469 VanDerWaalsContact O-N 3.08Å |
| 466 | I | 77.3 | Confident | 79.8 | Confident | 39 Ų | 39 | 59.8 Ų | 59.8 | 20% | 0.2 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61 | -45 | 173.6 | -71.1 | 164.6 | 0 | 0 | 0 | 110.4 | L441 F442 V446 D462 L463 L464 I469 A470 | L441-I466 HydrophobicContact CB-CG1 4.38Å; F442-I466 HydrophobicContact CD1-CD1 4.41Å; F442-I466 HydrophobicContact CE1-CD1 4.3Å; V446-I466 HydrophobicContact CB-CD1 4.37Å; V446-I466 HydrophobicContact CG1-CD1 3.68Å; V446-I466 HydrophobicContact CG2-CD1 3.73Å; D462-I466 VanDerWaalsContact O-CG1 3.26Å; D462-I466 WeakPolarHBondContact O-CG1 3.27Å; D462-I466 PolarHBondContact O-N 3.18Å; L463-I466 PolarHBondContact O-N 3.36Å; L464-I466 VanDerWaalsContact C-N 3.35Å; L464-I466 PolarHBondContact O-N 2.96Å; I466-I469 PolarHBondContact O-N 3.36Å; I466-A470 WeakPolarHBondContact O-CB 3.3Å; I466-A470 PolarHBondContact O-N 2.98Å |
| 467 | E | 83.3 | Confident | 79.5 | Confident | 116 Ų | 116 | 58.4 Ų | 58.4 | 54% | 0.542 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.6 | -48.9 | 177.4 | -176.1 | 179.1 | 176.1 | 0 | 0 | 111.4 | L463 L464 Y465 I469 A470 Q471 | L463-E467 PolarHBondContact O-N 3.13Å; L464-E467 PolarHBondContact O-N 3.11Å; Y465-E467 VanDerWaalsContact C-N 3.34Å; E467-I469 PolarHBondContact O-N 3.33Å; E467-A470 WeakPolarHBondContact O-CB 3.36Å; E467-A470 PolarHBondContact O-N 3.41Å; E467-A470 VanDerWaalsContact O-N 3.16Å; E467-Q471 WeakPolarHBondContact O-CG 3.13Å; E467-Q471 PolarHBondContact O-N 3.08Å; E467-Q471 PolarHBondContact OE1-NE2 3.26Å |
| 468 | E | 81 | Confident | 79.4 | Confident | 54 Ų | 54 | 52.7 Ų | 52.7 | 25% | 0.252 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.9 | -35.8 | 179.4 | -74.9 | -174.1 | 169.3 | 0 | 0 | 112.7 | Y432 I434 L464 Y465 Q471 Y472 | Y432-E468 PolarHBondContact OH-OE1 2.96Å; Y432-E468 PolarHBondContact OH-OE2 3.2Å; I434-E468 WeakPolarHBondContact CD1-OE2 3.35Å; I434-E468 WeakPolarHBondContact CG1-OE2 3.41Å; L464-E468 HydrophobicContact CD2-CG 4.39Å; L464-E468 WeakPolarHBondContact O-CG 3.32Å; L464-E468 PolarHBondContact O-N 2.92Å; Y465-E468 PolarHBondContact O-N 3.3Å; E468-Q471 PolarHBondContact O-N 2.95Å; E468-Y472 WeakPolarHBondContact O-CB 3.45Å; E468-Y472 PolarHBondContact O-N 3.33Å |
| 469 | I | 77.4 | Confident | 79.5 | Confident | 22 Ų | 22 | 55.8 Ų | 55.8 | 11% | 0.113 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -76.9 | -34.6 | 177.8 | -75.5 | 168.1 | 0 | 0 | 0 | 112.1 | L399 I434 L441 Y465 I466 E467 Q471 Y472 K473 | L399-I469 HydrophobicContact CD1-CG2 4.3Å; L399-I469 HydrophobicContact CD2-CG2 4.03Å; I434-I469 HydrophobicContact CG2-CD1 4.16Å; I434-I469 HydrophobicContact CG2-CG1 4.23Å; L441-I469 HydrophobicContact CD1-CD1 2.99Å; L441-I469 HydrophobicContact CD1-CG1 4.36Å; L441-I469 HydrophobicContact CD2-CD1 3.73Å; L441-I469 HydrophobicContact CG-CD1 3.96Å; Y465-I469 PolarHBondContact O-N 2.76Å; Y465-I469 VanDerWaalsContact O-N 3.08Å; I466-I469 PolarHBondContact O-N 3.36Å; E467-I469 PolarHBondContact O-N 3.33Å; I469-Q471 VanDerWaalsContact C-N 3.33Å; I469-Y472 PolarHBondContact O-N 3.26Å; I469-K473 WeakPolarHBondContact O-CB 3.32Å; I469-K473 PolarHBondContact O-N 3.17Å |
| 470 | A | 79.1 | Confident | 79.4 | Confident | 48 Ų | 48 | 56.4 Ų | 56.4 | 40% | 0.397 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.1 | -45.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | I466 E467 Y472 K473 E474 | I466-A470 WeakPolarHBondContact O-CB 3.3Å; I466-A470 PolarHBondContact O-N 2.98Å; E467-A470 WeakPolarHBondContact O-CB 3.36Å; E467-A470 PolarHBondContact O-N 3.41Å; E467-A470 VanDerWaalsContact O-N 3.16Å; A470-Y472 PolarHBondContact O-N 3.46Å; A470-K473 PolarHBondContact O-N 3.03Å; A470-E474 PolarHBondContact O-N 3.26Å |
| 471 | Q | 81.9 | Confident | 79.1 | Confident | 66 Ų | 66 | 61.5 Ų | 61.5 | 31% | 0.308 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.1 | -44.8 | 174.1 | -68.1 | -175.6 | 28.7 | 0 | 0 | 111.3 | E467 E468 I469 K473 E474 I475 L526 | E467-Q471 WeakPolarHBondContact O-CG 3.13Å; E467-Q471 PolarHBondContact O-N 3.08Å; E467-Q471 PolarHBondContact OE1-NE2 3.26Å; E468-Q471 PolarHBondContact O-N 2.95Å; I469-Q471 VanDerWaalsContact C-N 3.33Å; Q471-K473 PolarHBondContact O-N 3.39Å; Q471-E474 PolarHBondContact O-N 3.48Å; Q471-I475 VanDerWaalsContact O-CG1 3.31Å; Q471-I475 WeakPolarHBondContact O-CG1 3.44Å; Q471-I475 PolarHBondContact O-N 3.09Å; Q471-L526 HydrophobicContact CB-CD1 4.06Å; Q471-L526 HydrophobicContact CG-CD1 4.15Å; Q471-L526 HydrophobicContact CG-CD2 4.2Å |
| 472 | Y | 79.3 | Confident | 78.9 | Confident | 45 Ų | 45 | 61 Ų | 61 | 18% | 0.176 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60 | -43.3 | 175.8 | 177.5 | -103.6 | 0 | 0 | 0 | 112.3 | T402 A403 R405 E468 I469 A470 E474 I475 S476 | T402-Y472 HydrophobicContact CG2-CD1 3.73Å; T402-Y472 HydrophobicContact CG2-CE1 3.7Å; A403-Y472 WeakPolarHBondContact O-CE1 3.33Å; A403-Y472 PolarHBondContact O-OH 3.4Å; R405-Y472 WeakPolarHBondContact CA-OH 3.4Å; R405-Y472 HydrophobicContact CB-CE1 4.1Å; R405-Y472 HydrophobicContact CB-CE2 4.03Å; R405-Y472 HydrophobicContact CG-CE2 3.91Å; R405-Y472 PolarHBondContact N-OH 2.9Å; E468-Y472 WeakPolarHBondContact O-CB 3.45Å; E468-Y472 PolarHBondContact O-N 3.33Å; I469-Y472 PolarHBondContact O-N 3.26Å; A470-Y472 PolarHBondContact O-N 3.46Å; Y472-E474 VanDerWaalsContact C-N 3.31Å; Y472-E474 PolarHBondContact O-N 3.47Å; Y472-I475 PolarHBondContact O-N 3.39Å; Y472-S476 VanDerWaalsContact O-CB 3.31Å; Y472-S476 WeakPolarHBondContact O-CB 3.42Å; Y472-S476 PolarHBondContact O-N 3.44Å |
| 473 | K | 78.1 | Confident | 78.9 | Confident | 69 Ų | 69 | 69.9 Ų | 69.9 | 30% | 0.3 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.6 | -43.1 | 177.3 | -177.7 | 175 | -179.7 | 175.1 | 0 | 111.3 | Q398 T402 I469 A470 Q471 S476 | Q398-K473 PolarHBondContact O-NZ 3.01Å; T402-K473 HydrophobicContact CG2-CB 3.86Å; T402-K473 HydrophobicContact CG2-CG 4.05Å; I469-K473 WeakPolarHBondContact O-CB 3.32Å; I469-K473 PolarHBondContact O-N 3.17Å; A470-K473 PolarHBondContact O-N 3.03Å; Q471-K473 PolarHBondContact O-N 3.39Å; K473-S476 PolarHBondContact O-N 3.47Å; K473-S476 PolarHBondContact O-OG 3.13Å |
| 474 | E | 80.4 | Confident | 79.1 | Confident | 47 Ų | 47 | 69.6 Ų | 69.6 | 22% | 0.22 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.9 | -45 | 174.6 | -70.2 | -58.1 | 123.6 | 0 | 0 | 112.1 | A470 Q471 Y472 S476 K477 A523 L526 | A470-E474 PolarHBondContact O-N 3.26Å; Q471-E474 PolarHBondContact O-N 3.48Å; Y472-E474 VanDerWaalsContact C-N 3.31Å; Y472-E474 PolarHBondContact O-N 3.47Å; E474-S476 VanDerWaalsContact C-N 3.32Å; E474-S476 PolarHBondContact O-N 2.89Å; E474-K477 WeakPolarHBondContact O-CB 3.22Å; E474-K477 WeakPolarHBondContact O-CG 3.36Å; E474-K477 PolarHBondContact O-N 2.93Å; E474-K477 IonicContact OE1-NZ 2.85Å; E474-K477 PolarHBondContact OE1-NZ 3.14Å; E474-K477 IonicContact OE2-NZ 2.58Å; E474-K477 PolarHBondContact OE2-NZ 2.96Å; E474-A523 HydrophobicContact CB-CB 4.07Å; E474-A523 WeakPolarHBondContact O-CB 3.4Å; E474-L526 HydrophobicContact CB-CD1 4.1Å |
| 475 | I | 81.7 | Confident | 79.1 | Confident | 47 Ų | 47 | 70.1 Ų | 70.1 | 24% | 0.241 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66 | -35 | 178.2 | -65.4 | 164.8 | 0 | 0 | 0 | 111.6 | Q471 Y472 K477 F478 L526 V531 | Q471-I475 VanDerWaalsContact O-CG1 3.31Å; Q471-I475 WeakPolarHBondContact O-CG1 3.44Å; Q471-I475 PolarHBondContact O-N 3.09Å; Y472-I475 PolarHBondContact O-N 3.39Å; I475-K477 PolarHBondContact O-N 3.42Å; I475-F478 PolarHBondContact O-N 3.42Å; I475-L526 HydrophobicContact CD1-CB 4.38Å; I475-L526 HydrophobicContact CG1-CB 4.14Å; I475-L526 HydrophobicContact CG1-CD1 4.29Å; I475-V531 HydrophobicContact CD1-CG2 4.04Å; I475-V531 HydrophobicContact CG1-CG2 4.45Å |
| 476 | S | 77.9 | Confident | 79.6 | Confident | 21 Ų | 21 | 73.3 Ų | 73.3 | 15% | 0.147 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.3 | -19.3 | -177.2 | 77 | 0 | 0 | 0 | 0 | 113.7 | Y472 K473 E474 F478 N479 | Y472-S476 VanDerWaalsContact O-CB 3.31Å; Y472-S476 WeakPolarHBondContact O-CB 3.42Å; Y472-S476 PolarHBondContact O-N 3.44Å; K473-S476 PolarHBondContact O-N 3.47Å; K473-S476 PolarHBondContact O-OG 3.13Å; E474-S476 VanDerWaalsContact C-N 3.32Å; E474-S476 PolarHBondContact O-N 2.89Å; S476-F478 PolarHBondContact O-N 3.24Å; S476-N479 VanDerWaalsContact O-CB 3.27Å; S476-N479 WeakPolarHBondContact O-CB 3.41Å; S476-N479 PolarHBondContact O-N 3.02Å; S476-N479 PolarHBondContact O-ND2 3.06Å |
| 477 | K | 74.6 | Confident | 80.1 | Confident | 105 Ų | 105 | 73.8 Ų | 73.8 | 46% | 0.457 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -23 | 172.8 | -61.8 | 176.2 | -174.2 | 168.8 | 0 | 112.6 | E474 I475 | E474-K477 WeakPolarHBondContact O-CB 3.22Å; E474-K477 WeakPolarHBondContact O-CG 3.36Å; E474-K477 PolarHBondContact O-N 2.93Å; E474-K477 IonicContact OE1-NZ 2.85Å; E474-K477 PolarHBondContact OE1-NZ 3.14Å; E474-K477 IonicContact OE2-NZ 2.58Å; E474-K477 PolarHBondContact OE2-NZ 2.96Å; I475-K477 PolarHBondContact O-N 3.42Å |
| 478 | F | 75.4 | Confident | 80.3 | Confident | 22 Ų | 22 | 71.4 Ų | 71.4 | 10% | 0.096 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 7 | 176 | -61.3 | -77.1 | 0 | 0 | 0 | 113.7 | I475 S476 L480 L513 E515 L517 A523 V527 | I475-F478 PolarHBondContact O-N 3.42Å; S476-F478 PolarHBondContact O-N 3.24Å; F478-L480 WeakPolarHBondContact O-CD2 3.38Å; F478-L480 WeakPolarHBondContact O-CG 3.16Å; F478-L480 PolarHBondContact O-N 3.46Å; F478-L513 HydrophobicContact CD1-CD1 4.17Å; F478-L513 HydrophobicContact CE1-CD1 4.46Å; F478-E515 HydrophobicContact CE1-CB 4.27Å; F478-L517 HydrophobicContact CE1-CD2 4.09Å; F478-L517 HydrophobicContact CZ-CD2 4.03Å; F478-A523 HydrophobicContact CD2-CB 4.42Å; F478-A523 HydrophobicContact CE2-CB 3.49Å; F478-A523 VanDerWaalsContact CE2-CB 3.49Å; F478-A523 HydrophobicContact CZ-CB 4.13Å; F478-V527 HydrophobicContact CD2-CG2 3.57Å; F478-V527 HydrophobicContact CE2-CG2 3.67Å; F478-V527 HydrophobicContact CG-CG2 4.32Å |
| 479 | N | 77.7 | Confident | 80.6 | Confident | 101 Ų | 101 | 71.2 Ų | 71.2 | 54% | 0.54 | 37% | 0.369 | S | S | . | . | trans | -69.7 | 125.2 | 171.2 | -69.5 | -22.8 | 0 | 0 | 0 | 109.8 | S476 | S476-N479 VanDerWaalsContact O-CB 3.27Å; S476-N479 WeakPolarHBondContact O-CB 3.41Å; S476-N479 PolarHBondContact O-N 3.02Å; S476-N479 PolarHBondContact O-ND2 3.06Å | ||
| 480 | L | 76.6 | Confident | 80.9 | Confident | 56 Ų | 56 | 72 Ų | 72 | 29% | 0.293 | 37% | 0.372 | S | S | . | . | trans | -148.8 | 151.4 | -169.8 | 50.7 | 95.9 | 0 | 0 | 0 | 112.2 | F478 V482 F511 L513 | F478-L480 WeakPolarHBondContact O-CD2 3.38Å; F478-L480 WeakPolarHBondContact O-CG 3.16Å; F478-L480 PolarHBondContact O-N 3.46Å; L480-V482 HydrophobicContact CB-CG1 4.42Å; L480-V482 HydrophobicContact CD1-CB 3.88Å; L480-V482 HydrophobicContact CD1-CG1 3.31Å; L480-V482 HydrophobicContact CD1-CG2 3.32Å; L480-V482 HydrophobicContact CG-CG1 4.4Å; L480-F511 HydrophobicContact CD1-CD2 3.72Å; L480-F511 HydrophobicContact CD1-CE2 3.74Å; L480-F511 HydrophobicContact CD2-CE2 4.22Å; L480-F511 HydrophobicContact CG-CE2 4.49Å; L480-L513 HydrophobicContact CD2-CD2 3.34Å | ||
| 481 | K | 78.1 | Confident | 80.9 | Confident | 173 Ų | 173 | 75.2 Ų | 75.2 | 75% | 0.752 | 38% | 0.38 | S | S | * | . | trans | -105.6 | 110.5 | 172.5 | -178.1 | 179 | 178.9 | 178.4 | 0 | 108.6 | ||||
| 482 | V | 77.5 | Confident | 80.4 | Confident | 73 Ų | 73 | 75.5 Ų | 75.5 | 44% | 0.442 | 38% | 0.383 | S | S | . | . | trans | -136.4 | 164.2 | -175.4 | -68.5 | 0 | 0 | 0 | 0 | 112.8 | L480 F511 | L480-V482 HydrophobicContact CB-CG1 4.42Å; L480-V482 HydrophobicContact CD1-CB 3.88Å; L480-V482 HydrophobicContact CD1-CG1 3.31Å; L480-V482 HydrophobicContact CD1-CG2 3.32Å; L480-V482 HydrophobicContact CG-CG1 4.4Å; V482-F511 HydrophobicContact CG2-CB 3.82Å; V482-F511 HydrophobicContact CG2-CD2 3.94Å; V482-F511 HydrophobicContact CG2-CG 4.01Å | ||
| 483 | Q | 77.4 | Confident | 79.7 | Confident | 185 Ų | 185 | 76.3 Ų | 76.3 | 86% | 0.864 | 39% | 0.393 | S | S | * | . | P | Polyproline II helix | trans | -87.9 | 119.9 | 166.4 | -65.5 | -177.8 | -0.6 | 0 | 0 | 108.7 | ||
| 484 | L | 83.8 | Confident | 78.9 | Confident | 66 Ų | 66 | 75.9 Ų | 75.9 | 35% | 0.346 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -81.1 | 125.8 | 177.9 | -165.6 | 67.3 | 0 | 0 | 0 | 109.5 | I486 F511 L536 | L484-I486 HydrophobicContact CB-CD1 4.49Å; L484-I486 HydrophobicContact CD2-CD1 3.79Å; L484-I486 HydrophobicContact CG-CD1 4Å; L484-F511 HydrophobicContact CD1-CB 4.11Å; L484-F511 HydrophobicContact CD1-CD1 3.56Å; L484-F511 HydrophobicContact CD1-CE1 4.42Å; L484-F511 HydrophobicContact CD1-CG 4.24Å; L484-L536 HydrophobicContact CD2-CD1 4.27Å |
| 485 | Q | 84.2 | Confident | 77.6 | Confident | 87 Ų | 87 | 81.2 Ų | 81.2 | 41% | 0.407 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 125.1 | 170.6 | -67.4 | 177.8 | -9.6 | 0 | 0 | 108.6 | G509 R510 | Q485-G509 CarbonylContact O-C 3.56Å; Q485-G509 WeakPolarHBondContact O-CA 3.27Å; Q485-R510 HydrophobicContact CB-CB 4.35Å; Q485-R510 WeakPolarHBondContact CB-O 3.46Å; Q485-R510 PolarHBondContact N-O 3.01Å; Q485-R510 PolarHBondContact O-N 3.36Å; Q485-R510 VanDerWaalsContact OE1-NE 3.16Å |
| 486 | I | 89.8 | Confident | 76.2 | Confident | 97 Ų | 97 | 83.9 Ų | 83.9 | 50% | 0.497 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 128.8 | -178.9 | -55.6 | -58.1 | 0 | 0 | 0 | 109.2 | L484 L507 F508 | L484-I486 HydrophobicContact CB-CD1 4.49Å; L484-I486 HydrophobicContact CD2-CD1 3.79Å; L484-I486 HydrophobicContact CG-CD1 4Å; I486-L507 HydrophobicContact CG2-CB 3.83Å; I486-L507 HydrophobicContact CG2-CD1 3.79Å; I486-L507 HydrophobicContact CG2-CD2 4.03Å; I486-L507 HydrophobicContact CG2-CG 4.09Å; I486-F508 CarbonylContact C-O 3.51Å; I486-F508 WeakPolarHBondContact CA-O 3.48Å |
| 487 | L | 88.1 | Confident | 75.4 | Confident | 50 Ų | 50 | 86.4 Ų | 86.4 | 26% | 0.262 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 142.7 | -173 | -59.8 | 169.4 | 0 | 0 | 0 | 110.3 | F508 R510 | L487-F508 HydrophobicContact CB-CB 4.3Å; L487-F508 PolarHBondContact N-O 3.5Å; L487-F508 PolarHBondContact O-N 3.34Å; L487-R510 HydrophobicContact CD1-CB 3.72Å; L487-R510 HydrophobicContact CD1-CG 4.46Å |
| 488 | A | 87.5 | Confident | 75.4 | Confident | 66 Ų | 66 | 82.6 Ų | 82.6 | 55% | 0.545 | 49% | 0.487 | S | S | . | . | S | Bend | trans | -85 | -19.7 | 170 | 0 | 0 | 0 | 0 | 0 | 112.3 | A502 | A488-A502 WeakPolarHBondContact O-CB 3.34Å; A488-A502 PolarHBondContact O-N 3Å |
| 489 | S | 85.4 | Confident | 75.7 | Confident | 49 Ų | 49 | 83.4 Ų | 83.4 | 34% | 0.343 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 154.7 | 179.8 | 58.9 | 0 | 0 | 0 | 0 | 111.7 | K500 Y501 | S489-K500 CarbonylContact C-O 3.54Å; S489-K500 WeakPolarHBondContact CA-O 3.49Å; S489-K500 WeakPolarHBondContact CB-O 3.44Å; S489-Y501 VanDerWaalsContact CB-CD1 3.47Å |
| 490 | F | 83.6 | Confident | 75.9 | Confident | 39 Ų | 39 | 82 Ų | 82 | 17% | 0.171 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 159.9 | 170.3 | 66 | -88.4 | 0 | 0 | 0 | 111.1 | L492 A499 K500 F508 E560 E561 | F490-L492 HydrophobicContact CE2-CD2 3.9Å; F490-L492 HydrophobicContact CE2-CG 4.41Å; F490-A499 WeakPolarHBondContact O-CA 3.43Å; F490-K500 HydrophobicContact CE1-CB 4.15Å; F490-K500 HydrophobicContact CE1-CD 4.36Å; F490-K500 HydrophobicContact CE1-CG 4.5Å; F490-K500 HydrophobicContact CE2-CB 4.36Å; F490-K500 HydrophobicContact CZ-CB 4.03Å; F490-K500 HydrophobicContact CZ-CD 4Å; F490-K500 HydrophobicContact CZ-CG 4.45Å; F490-K500 PolarHBondContact N-O 2.94Å; F490-K500 PolarHBondContact O-N 3.33Å; F490-F508 HydrophobicContact CD1-CB 4.24Å; F490-F508 HydrophobicContact CD1-CD1 4.22Å; F490-F508 AromaticContact CD1-CD2 3.55Å; F490-F508 HydrophobicContact CD1-CD2 3.55Å; F490-F508 AromaticContact CD1-CE2 3.85Å; F490-F508 HydrophobicContact CD1-CE2 3.85Å; F490-F508 AromaticContact CD1-CG 3.74Å; F490-F508 HydrophobicContact CD1-CG 3.74Å; F490-F508 HydrophobicContact CD1-CZ 4.35Å; F490-F508 HydrophobicContact CE1-CB 4.48Å; F490-F508 AromaticContact CE1-CD1 3.69Å; F490-F508 HydrophobicContact CE1-CD1 3.69Å; F490-F508 AromaticContact CE1-CD2 3.75Å; F490-F508 HydrophobicContact CE1-CD2 3.75Å; F490-F508 AromaticContact CE1-CE1 3.74Å; F490-F508 HydrophobicContact CE1-CE1 3.74Å; F490-F508 AromaticContact CE1-CE2 3.75Å; F490-F508 HydrophobicContact CE1-CE2 3.75Å; F490-F508 AromaticContact CE1-CG 3.71Å; F490-F508 HydrophobicContact CE1-CG 3.71Å; F490-F508 AromaticContact CE1-CZ 3.77Å; F490-F508 HydrophobicContact CE1-CZ 3.77Å; F490-E560 HydrophobicContact CE1-CB 4.47Å; F490-E560 HydrophobicContact CZ-CB 4.09Å; F490-E561 WeakPolarHBondContact CD2-OE2 3.07Å; F490-E561 HydrophobicContact CE2-CB 4.06Å; F490-E561 WeakPolarHBondContact CE2-OE2 2.96Å; F490-E561 HydrophobicContact CZ-CB 4.44Å |
| 491 | M | 79.2 | Confident | 76.4 | Confident | 115 Ų | 115 | 86.6 Ų | 86.6 | 57% | 0.567 | 50% | 0.501 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 130.6 | 177.1 | -66.1 | -61.8 | -61.4 | 0 | 0 | 109.6 | A499 | M491-A499 HydrophobicContact SD-CB 3.64Å |
| 492 | L | 73.1 | Confident | 76.7 | Confident | 73 Ų | 73 | 79.6 Ų | 79.6 | 38% | 0.382 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 133.5 | 175.2 | -70.7 | 160 | 0 | 0 | 0 | 109.9 | F490 G498 | F490-L492 HydrophobicContact CE2-CD2 3.9Å; F490-L492 HydrophobicContact CE2-CG 4.41Å; L492-G498 PolarHBondContact N-O 3.31Å |
| 493 | T | 63.6 | Low | 76.9 | Confident | 61 Ų | 61 | 82.4 Ų | 82.4 | 37% | 0.374 | 48% | 0.483 | S | S | . | . | trans | -96 | 106.2 | 178.1 | 64.6 | 0 | 0 | 0 | 0 | 110.1 | E561 T563 I567 | T493-E561 WeakPolarHBondContact CB-OE1 3.43Å; T493-E561 PolarHBondContact N-OE1 3Å; T493-E561 PolarHBondContact OG1-OE1 2.81Å; T493-T563 HydrophobicContact CG2-CG2 4.27Å; T493-T563 WeakPolarHBondContact OG1-CG2 3.38Å; T493-I567 HydrophobicContact CG2-CB 4.45Å; T493-I567 HydrophobicContact CG2-CD1 3.71Å; T493-I567 HydrophobicContact CG2-CG1 4.19Å | ||
| 494 | G | 62.3 | Low | 77 | Confident | 61 Ų | 61 | 81.2 Ų | 81.2 | 63% | 0.629 | 48% | 0.483 | S | S | * | . | S | Bend | trans | 169.9 | -176.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | S496 | G494-S496 PolarHBondContact O-N 3.44Š|
| 495 | V | 52.9 | Low | 76.8 | Confident | 158 Ų | 158 | 81.8 Ų | 81.8 | 96% | 0.958 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -66.5 | -18.2 | -176.3 | -162.2 | 0 | 0 | 0 | 0 | 112.6 | ||
| 496 | S | 51.6 | Low | 76.9 | Confident | 104 Ų | 104 | 81.5 Ų | 81.5 | 73% | 0.727 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -109.3 | 76.8 | 178.8 | -42.9 | 0 | 0 | 0 | 0 | 109 | G494 G498 | G494-S496 PolarHBondContact O-N 3.44Å; S496-G498 PolarHBondContact O-N 3.44Å |
| 497 | G | 61 | Low | 76.8 | Confident | 73 Ų | 73 | 82.5 Ų | 82.5 | 75% | 0.753 | 51% | 0.509 | S | S | * | . | trans | -52.2 | 128.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 498 | G | 75.4 | Confident | 76.8 | Confident | 26 Ų | 26 | 81.3 Ų | 81.3 | 27% | 0.268 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.2 | 162 | -178 | 0 | 0 | 0 | 0 | 0 | 112.5 | L492 S496 | L492-G498 PolarHBondContact N-O 3.31Å; S496-G498 PolarHBondContact O-N 3.44Å |
| 499 | A | 80.4 | Confident | 76.9 | Confident | 39 Ų | 39 | 80.1 Ų | 80.1 | 32% | 0.322 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 131.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | F490 M491 Y501 | F490-A499 WeakPolarHBondContact O-CA 3.43Å; M491-A499 HydrophobicContact SD-CB 3.64Å; A499-Y501 HydrophobicContact CB-CD2 4.46Å; A499-Y501 HydrophobicContact CB-CE2 3.68Å |
| 500 | K | 83.2 | Confident | 76.8 | Confident | 70 Ų | 70 | 81.1 Ų | 81.1 | 30% | 0.304 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 130.3 | 173.4 | -165.3 | 167.9 | 176.3 | 170.2 | 0 | 109 | S489 F490 F508 E560 | S489-K500 CarbonylContact C-O 3.54Å; S489-K500 WeakPolarHBondContact CA-O 3.49Å; S489-K500 WeakPolarHBondContact CB-O 3.44Å; F490-K500 HydrophobicContact CE1-CB 4.15Å; F490-K500 HydrophobicContact CE1-CD 4.36Å; F490-K500 HydrophobicContact CE1-CG 4.5Å; F490-K500 HydrophobicContact CE2-CB 4.36Å; F490-K500 HydrophobicContact CZ-CB 4.03Å; F490-K500 HydrophobicContact CZ-CD 4Å; F490-K500 HydrophobicContact CZ-CG 4.45Å; F490-K500 PolarHBondContact N-O 2.94Å; F490-K500 PolarHBondContact O-N 3.33Å; K500-F508 HydrophobicContact CD-CZ 4.28Å; K500-F508 HydrophobicContact CG-CE2 4.49Å; K500-F508 HydrophobicContact CG-CZ 3.98Å; K500-E560 IonicContact NZ-OE1 2.69Å; K500-E560 PolarHBondContact NZ-OE1 3.1Å; K500-E560 IonicContact NZ-OE2 3.43Å; K500-E560 PolarHBondContact NZ-OE2 3.21Å |
| 501 | Y | 85.5 | Confident | 76.8 | Confident | 154 Ų | 154 | 82.9 Ų | 82.9 | 60% | 0.604 | 50% | 0.5 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 135.5 | 179.6 | -64.7 | -92.5 | 0 | 0 | 0 | 109.5 | S489 A499 | S489-Y501 VanDerWaalsContact CB-CD1 3.47Å; A499-Y501 HydrophobicContact CB-CD2 4.46Å; A499-Y501 HydrophobicContact CB-CE2 3.68Å |
| 502 | A | 84.7 | Confident | 76.5 | Confident | 26 Ų | 26 | 84.6 Ų | 84.6 | 22% | 0.215 | 51% | 0.505 | C | S | . | . | trans | -70.2 | 139.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | A488 Q506 F508 | A488-A502 WeakPolarHBondContact O-CB 3.34Å; A488-A502 PolarHBondContact O-N 3Å; A502-Q506 HydrophobicContact CB-CB 4.42Å; A502-Q506 WeakPolarHBondContact CB-O 3.36Å; A502-F508 HydrophobicContact CB-CD2 3.96Å; A502-F508 HydrophobicContact CB-CE2 3.66Å; A502-F508 HydrophobicContact CB-CZ 4.08Å; A502-F508 VanDerWaalsContact N-CE2 3.27Å | ||
| 503 | Q | 82.4 | Confident | 76.3 | Confident | 131 Ų | 131 | 83.1 Ų | 83.1 | 61% | 0.612 | 50% | 0.497 | S | S | * | . | trans | -119.1 | 159.5 | -176.4 | -60.8 | -172.7 | 6.8 | 0 | 0 | 110.6 | G505 Q506 | Q503-G505 VanDerWaalsContact C-N 3.31Å; Q503-G505 PolarHBondContact O-N 2.86Å; Q503-G505 VanDerWaalsContact O-N 3.17Å; Q503-Q506 VanDerWaalsContact O-CB 3.22Å; Q503-Q506 WeakPolarHBondContact O-CB 3.3Å; Q503-Q506 VanDerWaalsContact O-CG 3.29Å; Q503-Q506 WeakPolarHBondContact O-CG 3.37Å; Q503-Q506 PolarHBondContact O-N 3.34Å; Q503-Q506 PolarHBondContact O-OE1 3.02Å | ||
| 504 | N | 79.6 | Confident | 76.2 | Confident | 160 Ų | 160 | 86 Ų | 86 | 86% | 0.856 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 39.3 | 169.5 | -57.2 | -24.7 | 0 | 0 | 0 | 115.2 | Q506 | N504-Q506 VanDerWaalsContact C-N 3.26Å; N504-Q506 PolarHBondContact O-N 2.75Å |
| 505 | G | 80.2 | Confident | 76.2 | Confident | 79 Ų | 79 | 88.5 Ų | 88.5 | 81% | 0.814 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.4 | 4.1 | 179 | 0 | 0 | 0 | 0 | 0 | 115 | Q503 | Q503-G505 VanDerWaalsContact C-N 3.31Å; Q503-G505 PolarHBondContact O-N 2.86Å; Q503-G505 VanDerWaalsContact O-N 3.17Å |
| 506 | Q | 85.4 | Confident | 76.8 | Confident | 81 Ų | 81 | 87 Ų | 87 | 38% | 0.379 | 50% | 0.501 | S | S | . | . | trans | -70.8 | 159.4 | 171.1 | -62.9 | 175.9 | -30.4 | 0 | 0 | 111.3 | A502 Q503 N504 | A502-Q506 HydrophobicContact CB-CB 4.42Å; A502-Q506 WeakPolarHBondContact CB-O 3.36Å; Q503-Q506 VanDerWaalsContact O-CB 3.22Å; Q503-Q506 WeakPolarHBondContact O-CB 3.3Å; Q503-Q506 VanDerWaalsContact O-CG 3.29Å; Q503-Q506 WeakPolarHBondContact O-CG 3.37Å; Q503-Q506 PolarHBondContact O-N 3.34Å; Q503-Q506 PolarHBondContact O-OE1 3.02Å; N504-Q506 VanDerWaalsContact C-N 3.26Å; N504-Q506 PolarHBondContact O-N 2.75Å | ||
| 507 | L | 88.2 | Confident | 77.7 | Confident | 117 Ų | 117 | 82.8 Ų | 82.8 | 61% | 0.613 | 47% | 0.471 | S | S | * | . | trans | -140.5 | 144.2 | 177.8 | -70.9 | 167.1 | 0 | 0 | 0 | 109.2 | I486 | I486-L507 HydrophobicContact CG2-CB 3.83Å; I486-L507 HydrophobicContact CG2-CD1 3.79Å; I486-L507 HydrophobicContact CG2-CD2 4.03Å; I486-L507 HydrophobicContact CG2-CG 4.09Å | ||
| 508 | F | 88.3 | Confident | 78.3 | Confident | 26 Ų | 26 | 80.5 Ų | 80.5 | 11% | 0.114 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 138.1 | 173.1 | -60.9 | -61.2 | 0 | 0 | 0 | 110.5 | I486 L487 F490 K500 A502 E560 | I486-F508 CarbonylContact C-O 3.51Å; I486-F508 WeakPolarHBondContact CA-O 3.48Å; L487-F508 HydrophobicContact CB-CB 4.3Å; L487-F508 PolarHBondContact N-O 3.5Å; L487-F508 PolarHBondContact O-N 3.34Å; F490-F508 HydrophobicContact CD1-CB 4.24Å; F490-F508 HydrophobicContact CD1-CD1 4.22Å; F490-F508 AromaticContact CD1-CD2 3.55Å; F490-F508 HydrophobicContact CD1-CD2 3.55Å; F490-F508 AromaticContact CD1-CE2 3.85Å; F490-F508 HydrophobicContact CD1-CE2 3.85Å; F490-F508 AromaticContact CD1-CG 3.74Å; F490-F508 HydrophobicContact CD1-CG 3.74Å; F490-F508 HydrophobicContact CD1-CZ 4.35Å; F490-F508 HydrophobicContact CE1-CB 4.48Å; F490-F508 AromaticContact CE1-CD1 3.69Å; F490-F508 HydrophobicContact CE1-CD1 3.69Å; F490-F508 AromaticContact CE1-CD2 3.75Å; F490-F508 HydrophobicContact CE1-CD2 3.75Å; F490-F508 AromaticContact CE1-CE1 3.74Å; F490-F508 HydrophobicContact CE1-CE1 3.74Å; F490-F508 AromaticContact CE1-CE2 3.75Å; F490-F508 HydrophobicContact CE1-CE2 3.75Å; F490-F508 AromaticContact CE1-CG 3.71Å; F490-F508 HydrophobicContact CE1-CG 3.71Å; F490-F508 AromaticContact CE1-CZ 3.77Å; F490-F508 HydrophobicContact CE1-CZ 3.77Å; K500-F508 HydrophobicContact CD-CZ 4.28Å; K500-F508 HydrophobicContact CG-CE2 4.49Å; K500-F508 HydrophobicContact CG-CZ 3.98Å; A502-F508 HydrophobicContact CB-CD2 3.96Å; A502-F508 HydrophobicContact CB-CE2 3.66Å; A502-F508 HydrophobicContact CB-CZ 4.08Å; A502-F508 VanDerWaalsContact N-CE2 3.27Å; F508-E560 HydrophobicContact CD1-CG 4.38Å; F508-E560 HydrophobicContact CE1-CG 4.05Å |
| 509 | G | 88.1 | Confident | 78.4 | Confident | 41 Ų | 41 | 84 Ų | 84 | 42% | 0.423 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 121.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q485 | Q485-G509 CarbonylContact O-C 3.56Å; Q485-G509 WeakPolarHBondContact O-CA 3.27Å |
| 510 | R | 84.7 | Confident | 78.2 | Confident | 69 Ų | 69 | 89 Ų | 89 | 26% | 0.26 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 135.1 | 175.5 | -169.6 | 179.6 | 82.8 | 162.7 | 3.9 | 110.7 | Q485 L487 Y566 I567 | Q485-R510 HydrophobicContact CB-CB 4.35Å; Q485-R510 WeakPolarHBondContact CB-O 3.46Å; Q485-R510 PolarHBondContact N-O 3.01Å; Q485-R510 PolarHBondContact O-N 3.36Å; Q485-R510 VanDerWaalsContact OE1-NE 3.16Å; L487-R510 HydrophobicContact CD1-CB 3.72Å; L487-R510 HydrophobicContact CD1-CG 4.46Å; R510-Y566 PolarHBondContact NH2-OH 3.08Å; R510-Y566 VanDerWaalsContact NH2-OH 3.11Å; R510-I567 PolarHBondContact NH1-O 3.13Å; R510-I567 PolarHBondContact NH1-OXT 2.91Å |
| 511 | F | 83.3 | Confident | 78.1 | Confident | 76 Ų | 76 | 88.6 Ų | 88.6 | 33% | 0.333 | 48% | 0.477 | S | S | . | . | trans | -148.2 | 161.2 | 172 | 64.1 | -79.7 | 0 | 0 | 0 | 110.6 | L480 V482 L484 L513 | L480-F511 HydrophobicContact CD1-CD2 3.72Å; L480-F511 HydrophobicContact CD1-CE2 3.74Å; L480-F511 HydrophobicContact CD2-CE2 4.22Å; L480-F511 HydrophobicContact CG-CE2 4.49Å; V482-F511 HydrophobicContact CG2-CB 3.82Å; V482-F511 HydrophobicContact CG2-CD2 3.94Å; V482-F511 HydrophobicContact CG2-CG 4.01Å; L484-F511 HydrophobicContact CD1-CB 4.11Å; L484-F511 HydrophobicContact CD1-CD1 3.56Å; L484-F511 HydrophobicContact CD1-CE1 4.42Å; L484-F511 HydrophobicContact CD1-CG 4.24Å; F511-L513 HydrophobicContact CD2-CD2 4.26Å; F511-L513 HydrophobicContact CE2-CD2 3.59Å; F511-L513 HydrophobicContact CZ-CD2 4.48Å | ||
| 512 | K | 71.8 | Confident | 77.9 | Confident | 152 Ų | 152 | 87.2 Ų | 87.2 | 66% | 0.661 | 48% | 0.48 | S | S | * | . | trans | -102.4 | 133.1 | 178.2 | -173.2 | 177 | 177.7 | 178.4 | 0 | 109.6 | Y566 | K512-Y566 HydrophobicContact CD-CD2 4.37Š| ||
| 513 | L | 68.8 | Low | 77.5 | Confident | 41 Ų | 41 | 86.3 Ų | 86.3 | 22% | 0.215 | 47% | 0.472 | C | S | . | . | trans | -74.2 | 146.7 | 170.5 | -60.7 | 177.7 | 0 | 0 | 0 | 110.3 | F478 L480 F511 E515 L517 | F478-L513 HydrophobicContact CD1-CD1 4.17Å; F478-L513 HydrophobicContact CE1-CD1 4.46Å; L480-L513 HydrophobicContact CD2-CD2 3.34Å; F511-L513 HydrophobicContact CD2-CD2 4.26Å; F511-L513 HydrophobicContact CE2-CD2 3.59Å; F511-L513 HydrophobicContact CZ-CD2 4.48Å; L513-E515 VanDerWaalsContact C-N 3.31Å; L513-E515 WeakPolarHBondContact CB-O 3.44Å; L513-L517 HydrophobicContact CD1-CD1 3.36Å; L513-L517 HydrophobicContact CD1-CD2 3.97Å; L513-L517 HydrophobicContact CD1-CG 3.48Å; L513-L517 VanDerWaalsContact CD1-CG 3.48Å | ||
| 514 | T | 62.7 | Low | 77.5 | Confident | 122 Ų | 122 | 80.1 Ų | 80.1 | 75% | 0.748 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -67.9 | -33.2 | 175 | 30.3 | 0 | 0 | 0 | 0 | 112.3 | ||
| 515 | E | 63 | Low | 77.8 | Confident | 113 Ų | 113 | 78.9 Ų | 78.9 | 53% | 0.528 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -108.5 | 145.2 | 177.1 | -64.7 | -173.5 | 175.7 | 0 | 0 | 110.9 | F478 L513 L517 | F478-E515 HydrophobicContact CE1-CB 4.27Å; L513-E515 VanDerWaalsContact C-N 3.31Å; L513-E515 WeakPolarHBondContact CB-O 3.44Å; E515-L517 PolarHBondContact O-N 3.36Å |
| 516 | T | 64.1 | Low | 78.1 | Confident | 126 Ų | 126 | 76.6 Ų | 76.6 | 77% | 0.773 | 40% | 0.395 | S | S | * | . | trans | -70.8 | 124.2 | 176.5 | 48.3 | 0 | 0 | 0 | 0 | 110.4 | S518 | T516-S518 PolarHBondContact O-N 3.39Å; T516-S518 VanDerWaalsContact O-N 3.13Å | ||
| 517 | L | 70.6 | Confident | 78 | Confident | 17 Ų | 17 | 73.5 Ų | 73.5 | 9% | 0.089 | 38% | 0.382 | C | S | . | . | trans | -64.6 | 111.4 | 171.3 | -76.5 | 163.9 | 0 | 0 | 0 | 110 | F478 L513 E515 V527 M528 K564 | F478-L517 HydrophobicContact CE1-CD2 4.09Å; F478-L517 HydrophobicContact CZ-CD2 4.03Å; L513-L517 HydrophobicContact CD1-CD1 3.36Å; L513-L517 HydrophobicContact CD1-CD2 3.97Å; L513-L517 HydrophobicContact CD1-CG 3.48Å; L513-L517 VanDerWaalsContact CD1-CG 3.48Å; E515-L517 PolarHBondContact O-N 3.36Å; L517-V527 HydrophobicContact CD1-CG1 4.46Å; L517-V527 HydrophobicContact CD2-CB 3.74Å; L517-V527 HydrophobicContact CD2-CG1 3.57Å; L517-V527 HydrophobicContact CD2-CG2 4.44Å; L517-M528 HydrophobicContact CB-SD 4.2Å; L517-M528 HydrophobicContact CD1-SD 4Å; L517-K564 VanDerWaalsContact O-CE 3.27Å; L517-K564 WeakPolarHBondContact O-CE 3.47Å; L517-K564 WeakPolarHBondContact O-CG 3.26Å | ||
| 518 | S | 73.1 | Confident | 77.8 | Confident | 25 Ų | 25 | 69.9 Ų | 69.9 | 18% | 0.175 | 36% | 0.363 | C | S | . | . | trans | -121.5 | 133.4 | 169.8 | -175.5 | 0 | 0 | 0 | 0 | 111.1 | T516 D520 T521 G524 | T516-S518 PolarHBondContact O-N 3.39Å; T516-S518 VanDerWaalsContact O-N 3.13Å; S518-D520 PolarHBondContact O-N 3.34Å; S518-D520 WeakPolarHBondContact OG-CB 3.37Å; S518-D520 PolarHBondContact OG-N 2.77Å; S518-D520 PolarHBondContact OG-OD2 3.4Å; S518-T521 PolarHBondContact O-N 3.35Å; S518-T521 VanDerWaalsContact O-N 3.1Å; S518-T521 PolarHBondContact O-OG1 3.47Å; S518-G524 CarbonylContact O-C 3.59Å; S518-G524 WeakPolarHBondContact O-CA 3.5Å | ||
| 519 | E | 77.4 | Confident | 77.6 | Confident | 99 Ų | 99 | 72.3 Ų | 72.3 | 46% | 0.463 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -13.8 | 173.2 | -63.7 | -174.3 | 164.3 | 0 | 0 | 113.1 | T521 R525 M528 | E519-T521 VanDerWaalsContact C-N 3.3Å; E519-R525 PolarHBondContact O-NE 3.18Å; E519-R525 VanDerWaalsContact O-NE 3.1Å; E519-R525 PolarHBondContact O-NH2 3.01Å; E519-M528 HydrophobicContact CG-CG 4.42Å |
| 520 | D | 77.9 | Confident | 77.5 | Confident | 143 Ų | 143 | 77.7 Ų | 77.7 | 77% | 0.765 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -18.4 | 175 | -55.8 | -42.1 | 0 | 0 | 0 | 112.2 | S518 | S518-D520 PolarHBondContact O-N 3.34Å; S518-D520 WeakPolarHBondContact OG-CB 3.37Å; S518-D520 PolarHBondContact OG-N 2.77Å; S518-D520 PolarHBondContact OG-OD2 3.4Å |
| 521 | T | 81.1 | Confident | 77.6 | Confident | 63 Ų | 63 | 75.7 Ų | 75.7 | 39% | 0.387 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -94.2 | 144.4 | 175.3 | 66.4 | 0 | 0 | 0 | 0 | 110.4 | S518 E519 A523 G524 R525 | S518-T521 PolarHBondContact O-N 3.35Å; S518-T521 VanDerWaalsContact O-N 3.1Å; S518-T521 PolarHBondContact O-OG1 3.47Å; E519-T521 VanDerWaalsContact C-N 3.3Å; T521-A523 VanDerWaalsContact C-N 3.34Å; T521-A523 PolarHBondContact O-N 2.9Å; T521-G524 PolarHBondContact O-N 3.32Å; T521-G524 WeakPolarHBondContact OG1-CA 3.31Å; T521-G524 PolarHBondContact OG1-N 3.08Å; T521-R525 WeakPolarHBondContact O-CB 3.33Å; T521-R525 PolarHBondContact O-N 3.43Å |
| 522 | L | 80.1 | Confident | 77.8 | Confident | 125 Ų | 125 | 77.5 Ų | 77.5 | 65% | 0.654 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -56.1 | -49.9 | 176.8 | -67.4 | 174.7 | 0 | 0 | 0 | 111.2 | R525 L526 | L522-R525 PolarHBondContact O-N 3.31Å; L522-L526 WeakPolarHBondContact O-CG 3.4Å; L522-L526 PolarHBondContact O-N 3.48Å; L522-L526 VanDerWaalsContact O-N 3.11Å |
| 523 | A | 77.7 | Confident | 78.7 | Confident | 7 Ų | 7 | 71.8 Ų | 71.8 | 6% | 0.058 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.5 | -44.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | E474 F478 T521 L526 V527 | E474-A523 HydrophobicContact CB-CB 4.07Å; E474-A523 WeakPolarHBondContact O-CB 3.4Å; F478-A523 HydrophobicContact CD2-CB 4.42Å; F478-A523 HydrophobicContact CE2-CB 3.49Å; F478-A523 VanDerWaalsContact CE2-CB 3.49Å; F478-A523 HydrophobicContact CZ-CB 4.13Å; T521-A523 VanDerWaalsContact C-N 3.34Å; T521-A523 PolarHBondContact O-N 2.9Å; A523-L526 PolarHBondContact O-N 3.29Å; A523-V527 WeakPolarHBondContact O-CG2 3.44Å; A523-V527 PolarHBondContact O-N 2.73Å |
| 524 | G | 81.6 | Confident | 79.6 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -66.6 | -38.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | S518 T521 V527 M528 | S518-G524 CarbonylContact O-C 3.59Å; S518-G524 WeakPolarHBondContact O-CA 3.5Å; T521-G524 PolarHBondContact O-N 3.32Å; T521-G524 WeakPolarHBondContact OG1-CA 3.31Å; T521-G524 PolarHBondContact OG1-N 3.08Å; G524-V527 PolarHBondContact O-N 3.14Å; G524-M528 WeakPolarHBondContact O-CB 3.23Å; G524-M528 WeakPolarHBondContact O-CG 3.29Å; G524-M528 PolarHBondContact O-N 3.11Å |
| 525 | R | 85.4 | Confident | 80.9 | Confident | 135 Ų | 135 | 70.8 Ų | 70.8 | 51% | 0.509 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.5 | -45.9 | 173.3 | -173.2 | 179.9 | -61.3 | -178.8 | 0.4 | 111.8 | E519 T521 L522 M528 T529 | E519-R525 PolarHBondContact O-NE 3.18Å; E519-R525 VanDerWaalsContact O-NE 3.1Å; E519-R525 PolarHBondContact O-NH2 3.01Å; T521-R525 WeakPolarHBondContact O-CB 3.33Å; T521-R525 PolarHBondContact O-N 3.43Å; L522-R525 PolarHBondContact O-N 3.31Å; R525-M528 PolarHBondContact O-N 3.13Å; R525-T529 HydrophobicContact CG-CG2 4.41Å; R525-T529 WeakPolarHBondContact O-CB 3.44Å; R525-T529 WeakPolarHBondContact O-CG2 3.31Å; R525-T529 PolarHBondContact O-N 2.99Å; R525-T529 PolarHBondContact O-OG1 3.46Å |
| 526 | L | 86.1 | Confident | 82 | Confident | 30 Ų | 30 | 68.1 Ų | 68.1 | 16% | 0.157 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.1 | -48.4 | 177.3 | -74.3 | 170 | 0 | 0 | 0 | 111.2 | Q471 E474 I475 L522 A523 M528 T529 K530 V531 | Q471-L526 HydrophobicContact CB-CD1 4.06Å; Q471-L526 HydrophobicContact CG-CD1 4.15Å; Q471-L526 HydrophobicContact CG-CD2 4.2Å; E474-L526 HydrophobicContact CB-CD1 4.1Å; I475-L526 HydrophobicContact CD1-CB 4.38Å; I475-L526 HydrophobicContact CG1-CB 4.14Å; I475-L526 HydrophobicContact CG1-CD1 4.29Å; L522-L526 WeakPolarHBondContact O-CG 3.4Å; L522-L526 PolarHBondContact O-N 3.48Å; L522-L526 VanDerWaalsContact O-N 3.11Å; A523-L526 PolarHBondContact O-N 3.29Å; L526-M528 PolarHBondContact O-N 3.4Å; L526-T529 PolarHBondContact O-N 3.19Å; L526-K530 PolarHBondContact O-N 2.84Å; L526-V531 PolarHBondContact O-N 2.9Å |
| 527 | V | 84.7 | Confident | 83.2 | Confident | 17 Ų | 17 | 64.6 Ų | 64.6 | 10% | 0.103 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.8 | -45.4 | 178.6 | 174.6 | 0 | 0 | 0 | 0 | 111.5 | F478 L517 A523 G524 V531 K562 | F478-V527 HydrophobicContact CD2-CG2 3.57Å; F478-V527 HydrophobicContact CE2-CG2 3.67Å; F478-V527 HydrophobicContact CG-CG2 4.32Å; L517-V527 HydrophobicContact CD1-CG1 4.46Å; L517-V527 HydrophobicContact CD2-CB 3.74Å; L517-V527 HydrophobicContact CD2-CG1 3.57Å; L517-V527 HydrophobicContact CD2-CG2 4.44Å; A523-V527 WeakPolarHBondContact O-CG2 3.44Å; A523-V527 PolarHBondContact O-N 2.73Å; G524-V527 PolarHBondContact O-N 3.14Å; V527-V531 HydrophobicContact CG2-CG2 4.32Å; V527-K562 WeakPolarHBondContact O-CD 3.26Å; V527-K562 WeakPolarHBondContact O-CE 3.37Å; V527-K562 PolarHBondContact O-NZ 2.67Å |
| 528 | M | 82.4 | Confident | 83.9 | Confident | 41 Ų | 41 | 67.9 Ų | 67.9 | 20% | 0.202 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66.7 | -41.4 | -178.2 | -69.1 | -63.1 | -70.1 | 0 | 0 | 112.6 | L517 E519 G524 R525 L526 K562 | L517-M528 HydrophobicContact CB-SD 4.2Å; L517-M528 HydrophobicContact CD1-SD 4Å; E519-M528 HydrophobicContact CG-CG 4.42Å; G524-M528 WeakPolarHBondContact O-CB 3.23Å; G524-M528 WeakPolarHBondContact O-CG 3.29Å; G524-M528 PolarHBondContact O-N 3.11Å; R525-M528 PolarHBondContact O-N 3.13Å; L526-M528 PolarHBondContact O-N 3.4Å; M528-K562 HydrophobicContact CE-CB 4.09Å; M528-K562 PolarHBondContact O-NZ 3.32Å; M528-K562 HydrophobicContact SD-CB 3.63Å; M528-K562 HydrophobicContact SD-CD 4.11Å; M528-K562 HydrophobicContact SD-CG 4.5Å |
| 529 | T | 84.2 | Confident | 84.1 | Confident | 77 Ų | 77 | 70.9 Ų | 70.9 | 47% | 0.472 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -98.3 | -27.9 | -169 | 60.7 | 0 | 0 | 0 | 0 | 115.4 | R525 L526 | R525-T529 HydrophobicContact CG-CG2 4.41Å; R525-T529 WeakPolarHBondContact O-CB 3.44Å; R525-T529 WeakPolarHBondContact O-CG2 3.31Å; R525-T529 PolarHBondContact O-N 2.99Å; R525-T529 PolarHBondContact O-OG1 3.46Å; L526-T529 PolarHBondContact O-N 3.19Å |
| 530 | K | 85.8 | Confident | 83.8 | Confident | 153 Ų | 153 | 69.9 Ų | 69.9 | 67% | 0.665 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -123 | -23.8 | -169.1 | -60.9 | -59.7 | -178 | 179.2 | 0 | 115.1 | L526 N532 | L526-K530 PolarHBondContact O-N 2.84Å; K530-N532 PolarHBondContact O-N 3.26Å |
| 531 | V | 87.3 | Confident | 83.1 | Confident | 27 Ų | 27 | 73.6 Ų | 73.6 | 16% | 0.164 | 38% | 0.382 | C | S | . | . | trans | -85 | 115.1 | -178.4 | -179 | 0 | 0 | 0 | 0 | 110.1 | I475 L526 V527 A533 I559 K562 | I475-V531 HydrophobicContact CD1-CG2 4.04Å; I475-V531 HydrophobicContact CG1-CG2 4.45Å; L526-V531 PolarHBondContact O-N 2.9Å; V527-V531 HydrophobicContact CG2-CG2 4.32Å; V531-A533 WeakPolarHBondContact CG1-O 3.45Å; V531-I559 HydrophobicContact CG1-CD1 3.77Å; V531-K562 WeakPolarHBondContact O-CE 3.5Å; V531-K562 PolarHBondContact O-NZ 3.34Å | ||
| 532 | N | 88.3 | Confident | 81.6 | Confident | 114 Ų | 114 | 78.4 Ų | 78.4 | 61% | 0.61 | 40% | 0.4 | S | S | * | . | trans | -111.1 | -11.1 | -176.5 | -62.2 | -20.7 | 0 | 0 | 0 | 113.8 | K530 I559 | K530-N532 PolarHBondContact O-N 3.26Å; N532-I559 PolarHBondContact O-N 2.89Å | ||
| 533 | A | 89.4 | Confident | 80 | Confident | 32 Ų | 32 | 82.5 Ų | 82.5 | 26% | 0.264 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 157.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | V531 E556 A557 | V531-A533 WeakPolarHBondContact CG1-O 3.45Å; A533-E556 HydrophobicContact CB-CG 3.95Å; A533-A557 CarbonylContact C-O 3.53Å; A533-A557 VanDerWaalsContact CA-O 3.28Å; A533-A557 WeakPolarHBondContact CA-O 3.47Å |
| 534 | V | 88.8 | Confident | 78.5 | Confident | 43 Ų | 43 | 88.9 Ų | 88.9 | 26% | 0.261 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 149.2 | 173.4 | -63.2 | 0 | 0 | 0 | 0 | 110.3 | L536 A557 I559 | V534-L536 HydrophobicContact CG2-CD2 4.15Å; V534-L536 HydrophobicContact CG2-CG 4.35Å; V534-A557 HydrophobicContact CG2-CB 4.11Å; V534-A557 PolarHBondContact N-O 2.65Å; V534-A557 PolarHBondContact O-N 3.36Å; V534-I559 HydrophobicContact CG1-CD1 3.72Å; V534-I559 HydrophobicContact CG1-CG1 3.95Å |
| 535 | Y | 88.9 | Confident | 76.8 | Confident | 99 Ų | 99 | 95.6 Ų | 95.6 | 39% | 0.388 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 133.2 | 170.6 | -72.1 | -46.2 | 0 | 0 | 0 | 111.3 | W406 I413 V554 Y555 E556 | W406-Y535 HydrophobicContact CE3-CG 4.46Å; I413-Y535 HydrophobicContact CG2-CD1 4.27Å; I413-Y535 HydrophobicContact CG2-CE1 3.51Å; Y535-V554 HydrophobicContact CD1-CG1 3.99Å; Y535-V554 HydrophobicContact CG-CG1 3.91Å; Y535-Y555 CarbonylContact C-O 3.58Å; Y535-Y555 WeakPolarHBondContact CA-O 3.4Å; Y535-E556 HydrophobicContact CD1-CB 4.05Å; Y535-E556 HydrophobicContact CD1-CG 4.35Å; Y535-E556 HydrophobicContact CE1-CB 3.88Å; Y535-E556 HydrophobicContact CE1-CG 4.03Å |
| 536 | L | 88.1 | Confident | 75 | Confident | 57 Ų | 57 | 95.2 Ų | 95.2 | 30% | 0.298 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 125.6 | -177.9 | -59.6 | 178.3 | 0 | 0 | 0 | 110.2 | L484 V534 V554 Y555 A557 | L484-L536 HydrophobicContact CD2-CD1 4.27Å; V534-L536 HydrophobicContact CG2-CD2 4.15Å; V534-L536 HydrophobicContact CG2-CG 4.35Å; L536-V554 WeakPolarHBondContact O-CA 3.37Å; L536-Y555 PolarHBondContact N-O 2.7Å; L536-Y555 PolarHBondContact O-N 3.27Å; L536-A557 HydrophobicContact CD1-CB 3.77Å; L536-A557 HydrophobicContact CG-CB 4.34Å |
| 537 | L | 88.3 | Confident | 73 | Confident | 53 Ų | 53 | 98.9 Ų | 98.9 | 28% | 0.277 | 51% | 0.514 | S | S | . | . | trans | -111 | 112.2 | 170.8 | 179.1 | 62.8 | 0 | 0 | 0 | 109.2 | W406 V539 E552 K553 V554 | W406-L537 HydrophobicContact CH2-CB 3.42Å; W406-L537 VanDerWaalsContact CH2-CB 3.42Å; W406-L537 HydrophobicContact CH2-CD2 4.29Å; W406-L537 HydrophobicContact CZ2-CB 3.99Å; W406-L537 HydrophobicContact CZ2-CD2 3.98Å; W406-L537 HydrophobicContact CZ3-CB 4Å; L537-V539 PolarHBondContact O-N 3.41Å; L537-E552 HydrophobicContact CD1-CB 4.13Å; L537-K553 VanDerWaalsContact CD1-O 3.25Å; L537-K553 WeakPolarHBondContact CD1-O 3.39Å; L537-V554 HydrophobicContact CB-CG2 4.38Å; L537-V554 HydrophobicContact CD1-CG2 4.1Å | ||
| 538 | P | 84.7 | Confident | 70.8 | Confident | 85 Ų | 85 | 108 Ų | 108 | 55% | 0.552 | 56% | 0.555 | S | S | * | * | trans | -63.8 | 122.5 | 175 | -21 | 32.8 | 0 | 0 | 0 | 110.7 | P540 Y555 | P538-P540 VanDerWaalsContact O-CD 3.32Å; P538-P540 WeakPolarHBondContact O-CD 3.13Å; P538-Y555 HydrophobicContact CG-CD2 4.03Å; P538-Y555 HydrophobicContact CG-CE2 3.83Å | ||
| 539 | V | 77.9 | Confident | 69.4 | Low | 88 Ų | 88 | 109.9 Ų | 109.9 | 53% | 0.533 | 59% | 0.586 | S | S | . | * | trans | -94.6 | 108.6 | 176 | -176 | 0 | 0 | 0 | 0 | 108.9 | L537 | L537-V539 PolarHBondContact O-N 3.41Š| ||
| 540 | P | 72 | Confident | 68.4 | Low | 79 Ų | 79 | 110.7 Ų | 110.7 | 51% | 0.513 | 59% | 0.591 | S | S | . | * | trans | -68.3 | 144 | -179.4 | 27.7 | -33.5 | 0 | 0 | 0 | 111 | P538 Q542 | P538-P540 VanDerWaalsContact O-CD 3.32Å; P538-P540 WeakPolarHBondContact O-CD 3.13Å; P540-Q542 WeakPolarHBondContact CB-O 3.37Å; P540-Q542 PolarHBondContact O-N 2.78Å | ||
| 541 | K | 62.1 | Low | 67.8 | Low | 221 Ų | 221 | 108.4 Ų | 108.4 | 96% | 0.961 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -68.7 | -15.3 | 178.6 | -66.5 | -175.6 | 178.5 | 176.9 | 0 | 113.3 | ||
| 542 | Q | 50.8 | Low | 67.6 | Low | 163 Ų | 163 | 110.5 Ų | 110.5 | 76% | 0.762 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -127.5 | 137 | 172.8 | -78.7 | 173.4 | -12.7 | 0 | 0 | 109.2 | P540 L544 | P540-Q542 WeakPolarHBondContact CB-O 3.37Å; P540-Q542 PolarHBondContact O-N 2.78Å; Q542-L544 PolarHBondContact O-N 2.92Å |
| 543 | K | 46.2 | Very low | 67.5 | Low | 212 Ų | 212 | 110.8 Ų | 110.8 | 92% | 0.922 | 58% | 0.584 | S | S | * | * | trans | -63.9 | 103 | 173.8 | -76 | -176.5 | 176 | -178.5 | 0 | 108.4 | V545 | K543-V545 PolarHBondContact O-N 3.46Š| ||
| 544 | L | 46.1 | Very low | 67.5 | Low | 141 Ų | 141 | 109.2 Ų | 109.2 | 74% | 0.738 | 57% | 0.572 | S | S | * | * | trans | -64.5 | 132.7 | 161.4 | -96.4 | 94.2 | 0 | 0 | 0 | 107.8 | Q542 Q546 | Q542-L544 PolarHBondContact O-N 2.92Å; L544-Q546 PolarHBondContact O-N 3.33Å | ||
| 545 | V | 45.3 | Very low | 67.5 | Low | 140 Ų | 140 | 111.8 Ų | 111.8 | 85% | 0.848 | 58% | 0.577 | S | S | * | * | trans | -58.2 | 106.6 | 166.2 | 178.8 | 0 | 0 | 0 | 0 | 106.3 | K543 T547 | K543-V545 PolarHBondContact O-N 3.46Å; V545-T547 PolarHBondContact O-N 3.48Å; V545-T547 VanDerWaalsContact O-N 3.13Å | ||
| 546 | Q | 48.1 | Very low | 67.5 | Low | 128 Ų | 128 | 109.5 Ų | 109.5 | 60% | 0.598 | 57% | 0.57 | S | S | * | * | trans | -62.6 | 116.2 | 173 | -75.7 | 178 | -5.6 | 0 | 0 | 107.5 | L544 Q548 E552 | L544-Q546 PolarHBondContact O-N 3.33Å; Q546-Q548 PolarHBondContact O-N 2.99Å; Q546-E552 PolarHBondContact NE2-OE1 2.94Å | ||
| 547 | T | 43.5 | Very low | 67.6 | Low | 107 Ų | 107 | 108 Ų | 108 | 66% | 0.656 | 57% | 0.566 | S | S | * | * | trans | -56.9 | 123.7 | 161.7 | 15.7 | 0 | 0 | 0 | 0 | 108 | V545 G549 T550 | V545-T547 PolarHBondContact O-N 3.48Å; V545-T547 VanDerWaalsContact O-N 3.13Å; T547-G549 PolarHBondContact O-N 3.46Å; T547-T550 PolarHBondContact O-OG1 3.09Å | ||
| 548 | Q | 39 | Very low | 67.6 | Low | 207 Ų | 207 | 108.4 Ų | 108.4 | 97% | 0.967 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.6 | 115.4 | 175.6 | -85.1 | 175.2 | -35.4 | 0 | 0 | 109.6 | Q546 | Q546-Q548 PolarHBondContact O-N 2.99Š|
| 549 | G | 52.2 | Low | 67.8 | Low | 82 Ų | 82 | 106.7 Ų | 106.7 | 85% | 0.845 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 121.9 | -14.2 | 171 | 0 | 0 | 0 | 0 | 0 | 117.1 | T547 | T547-G549 PolarHBondContact O-N 3.46Š|
| 550 | T | 62.8 | Low | 68.2 | Low | 94 Ų | 94 | 106.8 Ų | 106.8 | 58% | 0.577 | 55% | 0.551 | S | S | * | * | trans | -94.1 | 115.5 | 178.7 | 50.3 | 0 | 0 | 0 | 0 | 112.1 | T547 | T547-T550 PolarHBondContact O-OG1 3.09Š| ||
| 551 | K | 74.6 | Confident | 68.7 | Low | 105 Ų | 105 | 105.8 Ų | 105.8 | 46% | 0.457 | 54% | 0.54 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 141.8 | 170.7 | -69.7 | -179.4 | 177.2 | 179.3 | 0 | 110.2 | S408 S409 | S408-K551 PolarHBondContact O-NZ 3.07Å; S409-K551 WeakPolarHBondContact O-CE 3.43Å; S409-K551 PolarHBondContact O-NZ 2.46Å |
| 552 | E | 82.4 | Confident | 69.7 | Low | 70 Ų | 70 | 97.8 Ų | 97.8 | 33% | 0.327 | 51% | 0.505 | S | S | . | . | P | Polyproline II helix | trans | -66 | 139.1 | 175.2 | -69.1 | -179.4 | 153.8 | 0 | 0 | 110.7 | K411 T412 L537 Q546 | K411-E552 HydrophobicContact CD-CB 3.89Å; K411-E552 IonicContact NZ-OE2 2.59Å; K411-E552 PolarHBondContact NZ-OE2 3.02Å; T412-E552 PolarHBondContact N-O 3.01Å; L537-E552 HydrophobicContact CD1-CB 4.13Å; Q546-E552 PolarHBondContact NE2-OE1 2.94Å |
| 553 | K | 86.7 | Confident | 70.7 | Confident | 120 Ų | 120 | 92.7 Ų | 92.7 | 52% | 0.522 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 127.7 | 178.2 | -69.9 | 179 | 173 | -170.3 | 0 | 110.6 | T412 I414 L537 Y555 | T412-K553 HydrophobicContact CG2-CG 4.49Å; T412-K553 WeakPolarHBondContact O-CA 3.25Å; I414-K553 HydrophobicContact CD1-CB 4.1Å; I414-K553 HydrophobicContact CD1-CD 3.93Å; I414-K553 HydrophobicContact CD1-CG 4.17Å; L537-K553 VanDerWaalsContact CD1-O 3.25Å; L537-K553 WeakPolarHBondContact CD1-O 3.39Å; K553-Y555 HydrophobicContact CB-CE2 4.2Å |
| 554 | V | 88.3 | Confident | 71.4 | Confident | 0 Ų | 0 | 88.8 Ų | 88.8 | 0% | 0 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 136.6 | 176 | 172.2 | 0 | 0 | 0 | 0 | 107.5 | W406 K411 T412 I413 I414 Y535 L536 L537 | W406-V554 HydrophobicContact CD2-CG1 4.42Å; W406-V554 HydrophobicContact CD2-CG2 4.12Å; W406-V554 HydrophobicContact CE3-CB 4.35Å; W406-V554 HydrophobicContact CE3-CG1 3.49Å; W406-V554 VanDerWaalsContact CE3-CG1 3.49Å; W406-V554 HydrophobicContact CE3-CG2 3.87Å; W406-V554 HydrophobicContact CZ3-CG1 3.79Å; W406-V554 HydrophobicContact CZ3-CG2 4.2Å; K411-V554 HydrophobicContact CB-CB 4.41Å; K411-V554 HydrophobicContact CB-CG2 3.79Å; K411-V554 HydrophobicContact CD-CG2 4.02Å; K411-V554 HydrophobicContact CG-CG2 3.76Å; T412-V554 PolarHBondContact O-N 3.44Å; I413-V554 CarbonylContact C-O 3.55Å; I413-V554 WeakPolarHBondContact CA-O 3.35Å; I414-V554 PolarHBondContact N-O 2.96Å; Y535-V554 HydrophobicContact CD1-CG1 3.99Å; Y535-V554 HydrophobicContact CG-CG1 3.91Å; L536-V554 WeakPolarHBondContact O-CA 3.37Å; L537-V554 HydrophobicContact CB-CG2 4.38Å; L537-V554 HydrophobicContact CD1-CG2 4.1Å |
| 555 | Y | 88.9 | Confident | 71.9 | Confident | 97 Ų | 97 | 88.9 Ų | 88.9 | 38% | 0.38 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 131.8 | -176.1 | -58.7 | -94.4 | 0 | 0 | 0 | 109.9 | I414 Y535 L536 P538 K553 | I414-Y555 HydrophobicContact CB-CD1 3.94Å; I414-Y555 HydrophobicContact CB-CE1 4.34Å; I414-Y555 HydrophobicContact CD1-CD1 3.86Å; I414-Y555 HydrophobicContact CD1-CE1 3.36Å; I414-Y555 HydrophobicContact CG1-CD1 4.45Å; I414-Y555 HydrophobicContact CG1-CE1 4.4Å; I414-Y555 HydrophobicContact CG2-CD1 4.02Å; I414-Y555 HydrophobicContact CG2-CE1 4.36Å; Y535-Y555 CarbonylContact C-O 3.58Å; Y535-Y555 WeakPolarHBondContact CA-O 3.4Å; L536-Y555 PolarHBondContact N-O 2.7Å; L536-Y555 PolarHBondContact O-N 3.27Å; P538-Y555 HydrophobicContact CG-CD2 4.03Å; P538-Y555 HydrophobicContact CG-CE2 3.83Å; K553-Y555 HydrophobicContact CB-CE2 4.2Å |
| 556 | E | 89.7 | Confident | 72 | Confident | 50 Ų | 50 | 89.1 Ų | 89.1 | 23% | 0.234 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 136.7 | 169.5 | -168.9 | -178.4 | -154.6 | 0 | 0 | 110.2 | I414 D415 F416 A533 Y535 | I414-E556 PolarHBondContact O-N 2.66Å; D415-E556 WeakPolarHBondContact CA-OE2 3.36Å; F416-E556 HydrophobicContact CB-CB 4.38Å; F416-E556 HydrophobicContact CB-CG 4.4Å; F416-E556 PolarHBondContact N-OE2 3.39Å; F416-E556 VanDerWaalsContact N-OE2 3.09Å; A533-E556 HydrophobicContact CB-CG 3.95Å; Y535-E556 HydrophobicContact CD1-CB 4.05Å; Y535-E556 HydrophobicContact CD1-CG 4.35Å; Y535-E556 HydrophobicContact CE1-CB 3.88Å; Y535-E556 HydrophobicContact CE1-CG 4.03Å |
| 557 | A | 89.5 | Confident | 71.9 | Confident | 26 Ų | 26 | 89.6 Ų | 89.6 | 22% | 0.215 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 129.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | A533 V534 L536 | A533-A557 CarbonylContact C-O 3.53Å; A533-A557 VanDerWaalsContact CA-O 3.28Å; A533-A557 WeakPolarHBondContact CA-O 3.47Å; V534-A557 HydrophobicContact CG2-CB 4.11Å; V534-A557 PolarHBondContact N-O 2.65Å; V534-A557 PolarHBondContact O-N 3.36Å; L536-A557 HydrophobicContact CD1-CB 3.77Å; L536-A557 HydrophobicContact CG-CB 4.34Å |
| 558 | T | 88.9 | Confident | 73.3 | Confident | 62 Ų | 62 | 88.7 Ų | 88.7 | 38% | 0.38 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 141.4 | 177.2 | 50.4 | 0 | 0 | 0 | 0 | 110.9 | F416 | F416-T558 HydrophobicContact CB-CG2 4.21Å; F416-T558 HydrophobicContact CD1-CG2 3.53Å; F416-T558 HydrophobicContact CE1-CG2 4.01Å; F416-T558 HydrophobicContact CG-CG2 3.88Å |
| 559 | I | 88.6 | Confident | 75.1 | Confident | 48 Ų | 48 | 82.5 Ų | 82.5 | 25% | 0.246 | 42% | 0.419 | C | S | . | . | trans | -88.3 | 115.7 | 177.8 | -59 | 175.9 | 0 | 0 | 0 | 108.6 | V531 N532 V534 K562 | V531-I559 HydrophobicContact CG1-CD1 3.77Å; N532-I559 PolarHBondContact O-N 2.89Å; V534-I559 HydrophobicContact CG1-CD1 3.72Å; V534-I559 HydrophobicContact CG1-CG1 3.95Å; I559-K562 HydrophobicContact CG2-CD 4.27Å; I559-K562 HydrophobicContact CG2-CG 3.61Å | ||
| 560 | E | 85.9 | Confident | 76.4 | Confident | 91 Ų | 91 | 82.5 Ų | 82.5 | 43% | 0.425 | 40% | 0.395 | S | S | . | . | trans | -88.7 | -39.8 | -179.7 | -75.5 | -74.9 | -155 | 0 | 0 | 113.4 | F490 K500 F508 | F490-E560 HydrophobicContact CE1-CB 4.47Å; F490-E560 HydrophobicContact CZ-CB 4.09Å; K500-E560 IonicContact NZ-OE1 2.69Å; K500-E560 PolarHBondContact NZ-OE1 3.1Å; K500-E560 IonicContact NZ-OE2 3.43Å; K500-E560 PolarHBondContact NZ-OE2 3.21Å; F508-E560 HydrophobicContact CD1-CG 4.38Å; F508-E560 HydrophobicContact CE1-CG 4.05Å | ||
| 561 | E | 83.4 | Confident | 77.2 | Confident | 58 Ų | 58 | 81.8 Ų | 81.8 | 27% | 0.271 | 38% | 0.384 | S | S | . | . | trans | -145.6 | 145.6 | 178.5 | -160.7 | 178.5 | 175.3 | 0 | 0 | 110.8 | F490 T493 T563 | F490-E561 WeakPolarHBondContact CD2-OE2 3.07Å; F490-E561 HydrophobicContact CE2-CB 4.06Å; F490-E561 WeakPolarHBondContact CE2-OE2 2.96Å; F490-E561 HydrophobicContact CZ-CB 4.44Å; T493-E561 WeakPolarHBondContact CB-OE1 3.43Å; T493-E561 PolarHBondContact N-OE1 3Å; T493-E561 PolarHBondContact OG1-OE1 2.81Å; E561-T563 VanDerWaalsContact CD-CG2 3.49Å; E561-T563 HydrophobicContact CG-CG2 3.61Å; E561-T563 VanDerWaalsContact OE1-CG2 3.25Å; E561-T563 WeakPolarHBondContact OE1-CG2 3.25Å | ||
| 562 | K | 83.5 | Confident | 77.3 | Confident | 53 Ų | 53 | 80.4 Ų | 80.4 | 23% | 0.23 | 38% | 0.38 | C | S | . | . | trans | -127.1 | 112 | 174.5 | -55.6 | 170.2 | -162.5 | 163.3 | 0 | 107.8 | V527 M528 V531 I559 | V527-K562 WeakPolarHBondContact O-CD 3.26Å; V527-K562 WeakPolarHBondContact O-CE 3.37Å; V527-K562 PolarHBondContact O-NZ 2.67Å; M528-K562 HydrophobicContact CE-CB 4.09Å; M528-K562 PolarHBondContact O-NZ 3.32Å; M528-K562 HydrophobicContact SD-CB 3.63Å; M528-K562 HydrophobicContact SD-CD 4.11Å; M528-K562 HydrophobicContact SD-CG 4.5Å; V531-K562 WeakPolarHBondContact O-CE 3.5Å; V531-K562 PolarHBondContact O-NZ 3.34Å; I559-K562 HydrophobicContact CG2-CD 4.27Å; I559-K562 HydrophobicContact CG2-CG 3.61Å | ||
| 563 | T | 70.6 | Confident | 77 | Confident | 55 Ų | 55 | 81.1 Ų | 81.1 | 34% | 0.337 | 38% | 0.383 | S | S | . | . | trans | -121 | 146.3 | -175.1 | 70.9 | 0 | 0 | 0 | 0 | 111.2 | T493 E561 E565 | T493-T563 HydrophobicContact CG2-CG2 4.27Å; T493-T563 WeakPolarHBondContact OG1-CG2 3.38Å; E561-T563 VanDerWaalsContact CD-CG2 3.49Å; E561-T563 HydrophobicContact CG-CG2 3.61Å; E561-T563 VanDerWaalsContact OE1-CG2 3.25Å; E561-T563 WeakPolarHBondContact OE1-CG2 3.25Å; T563-E565 PolarHBondContact OG1-O 3.24Å | ||
| 564 | K | 62.5 | Low | 76.3 | Confident | 131 Ų | 131 | 78.3 Ų | 78.3 | 57% | 0.57 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -81.4 | -28.7 | 170.7 | -64.9 | -172.7 | -176.7 | 175.8 | 0 | 111.7 | L517 | L517-K564 VanDerWaalsContact O-CE 3.27Å; L517-K564 WeakPolarHBondContact O-CE 3.47Å; L517-K564 WeakPolarHBondContact O-CG 3.26Å |
| 565 | E | 55.4 | Low | 75.4 | Confident | 143 Ų | 143 | 84.3 Ų | 84.3 | 67% | 0.668 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -100.9 | 138 | -176.9 | -61.9 | -169.3 | 177.5 | 0 | 0 | 111.2 | T563 I567 | T563-E565 PolarHBondContact OG1-O 3.24Å; E565-I567 PolarHBondContact O-N 3.14Å |
| 566 | Y | 46.5 | Very low | 74.2 | Confident | 145 Ų | 145 | 83.3 Ų | 83.3 | 57% | 0.569 | 40% | 0.404 | S | S | * | . | trans | -82.6 | 104.5 | 175.9 | -172.2 | -90.7 | 0 | 0 | 0 | 108.3 | R510 K512 | R510-Y566 PolarHBondContact NH2-OH 3.08Å; R510-Y566 VanDerWaalsContact NH2-OH 3.11Å; K512-Y566 HydrophobicContact CD-CD2 4.37Å | ||
| 567 | I | 46.4 | Very low | 72.8 | Confident | 137 Ų | 137 | 86.3 Ų | 86.3 | 70% | 0.703 | 42% | 0.42 | S | S | * | . | trans | -115 | 0 | 166.6 | -49.3 | -169.7 | 0 | 0 | 0 | 108 | T493 R510 E565 | T493-I567 HydrophobicContact CG2-CB 4.45Å; T493-I567 HydrophobicContact CG2-CD1 3.71Å; T493-I567 HydrophobicContact CG2-CG1 4.19Å; R510-I567 PolarHBondContact NH1-O 3.13Å; R510-I567 PolarHBondContact NH1-OXT 2.91Å; E565-I567 PolarHBondContact O-N 3.14Å |
Retrieved 567 of 567 residues in 231.6 ms
(Link to these results)