| 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 | A | 58.3 | Low | 87.6 | Confident | 86 Ų | 86 | 72.9 Ų | 72.9 | 71% | 0.711 | 39% | 0.394 | S | S | * | . | 0 | -76.5 | 0 | 0 | 0 | 0 | 0 | 0 | 113.9 | A3 L4 E5 D173 | A1-A3 PolarHBondContact O-N 3.11Å; A1-A3 VanDerWaalsContact O-N 3.14Å; A1-L4 VanDerWaalsContact O-CB 3.27Å; A1-L4 WeakPolarHBondContact O-CB 3.04Å; A1-L4 PolarHBondContact O-N 3.39Å; A1-E5 PolarHBondContact O-N 2.85Å; A1-D173 PolarHBondContact N-OD2 2.81Å | |||
| 2 | M | 67.2 | Low | 88.4 | Confident | 163 Ų | 163 | 69.8 Ų | 69.8 | 80% | 0.803 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -58 | -30.5 | -178.3 | -78.7 | -157.6 | -70.2 | 0 | 0 | 114.2 | L4 K6 | M2-L4 VanDerWaalsContact C-N 3.32Å; M2-L4 PolarHBondContact O-N 3.38Å; M2-K6 WeakPolarHBondContact O-CB 3.44Å; M2-K6 PolarHBondContact O-N 3.47Å; M2-K6 VanDerWaalsContact O-N 3.11Å |
| 3 | A | 83.8 | Confident | 89 | Confident | 50 Ų | 50 | 74.8 Ų | 74.8 | 41% | 0.413 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.6 | -38.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A1 F7 | A1-A3 PolarHBondContact O-N 3.11Å; A1-A3 VanDerWaalsContact O-N 3.14Å; A3-F7 WeakPolarHBondContact O-CB 3.44Å; A3-F7 PolarHBondContact O-N 2.66Å |
| 4 | L | 91 | Very high | 89.4 | Confident | 21 Ų | 21 | 70.1 Ų | 70.1 | 11% | 0.11 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -65.6 | -49.8 | 179.4 | -176.9 | 64.1 | 0 | 0 | 0 | 111.5 | A1 M2 K6 F7 V8 L155 I167 F171 | A1-L4 VanDerWaalsContact O-CB 3.27Å; A1-L4 WeakPolarHBondContact O-CB 3.04Å; A1-L4 PolarHBondContact O-N 3.39Å; M2-L4 VanDerWaalsContact C-N 3.32Å; M2-L4 PolarHBondContact O-N 3.38Å; L4-K6 PolarHBondContact O-N 2.72Å; L4-F7 WeakPolarHBondContact O-CB 3.25Å; L4-F7 PolarHBondContact O-N 3.24Å; L4-V8 WeakPolarHBondContact O-CG2 3.38Å; L4-V8 PolarHBondContact O-N 3.28Å; L4-L155 HydrophobicContact CD1-CD1 3.9Å; L4-L155 HydrophobicContact CD1-CD2 4.04Å; L4-L155 HydrophobicContact CD1-CG 3.78Å; L4-I167 HydrophobicContact CD1-CG2 4.43Å; L4-I167 HydrophobicContact CD2-CG2 4.41Å; L4-F171 HydrophobicContact CD1-CD1 4.45Å; L4-F171 HydrophobicContact CD1-CD2 3.71Å; L4-F171 HydrophobicContact CD1-CE1 4.07Å; L4-F171 HydrophobicContact CD1-CE2 3.22Å; L4-F171 HydrophobicContact CD1-CG 4.31Å; L4-F171 HydrophobicContact CD1-CZ 3.44Å; L4-F171 VanDerWaalsContact CD1-CZ 3.44Å |
| 5 | E | 91.9 | Very high | 89.7 | Confident | 110 Ų | 110 | 65.9 Ų | 65.9 | 51% | 0.514 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.4 | -39.7 | -178.7 | -175.3 | 171.1 | -153.3 | 0 | 0 | 111.8 | A1 V8 S9 N156 | A1-E5 PolarHBondContact O-N 2.85Å; E5-V8 PolarHBondContact O-N 3.12Å; E5-S9 WeakPolarHBondContact O-CB 3.45Å; E5-S9 PolarHBondContact O-N 2.65Å; E5-S9 PolarHBondContact O-OG 3.39Å; E5-N156 WeakPolarHBondContact CA-OD1 3.33Å |
| 6 | K | 93.7 | Very high | 89.9 | Confident | 165 Ų | 165 | 65.9 Ų | 65.9 | 72% | 0.717 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -63.9 | -42.5 | 172.3 | -173.7 | 177.1 | -178.6 | 179.4 | 0 | 111.9 | M2 L4 K10 | M2-K6 WeakPolarHBondContact O-CB 3.44Å; M2-K6 PolarHBondContact O-N 3.47Å; M2-K6 VanDerWaalsContact O-N 3.11Å; L4-K6 PolarHBondContact O-N 2.72Å; K6-K10 VanDerWaalsContact O-CB 3.29Å; K6-K10 WeakPolarHBondContact O-CB 3.32Å; K6-K10 PolarHBondContact O-N 3.23Å |
| 7 | F | 94.8 | Very high | 90.1 | Very high | 34 Ų | 34 | 64.7 Ų | 64.7 | 15% | 0.149 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62 | -49.6 | 175.2 | 165.1 | -95.7 | 0 | 0 | 0 | 111.6 | A3 L4 S9 K10 T11 L152 L155 F171 E382 W386 | A3-F7 WeakPolarHBondContact O-CB 3.44Å; A3-F7 PolarHBondContact O-N 2.66Å; L4-F7 WeakPolarHBondContact O-CB 3.25Å; L4-F7 PolarHBondContact O-N 3.24Å; F7-S9 PolarHBondContact O-N 2.98Å; F7-K10 PolarHBondContact O-N 2.96Å; F7-T11 WeakPolarHBondContact CE2-OG1 3.41Å; F7-T11 VanDerWaalsContact O-CB 3.32Å; F7-T11 WeakPolarHBondContact O-CB 3.36Å; F7-T11 PolarHBondContact O-N 3.12Å; F7-T11 PolarHBondContact O-OG1 2.81Å; F7-L152 HydrophobicContact CE1-CD2 3.86Å; F7-L152 HydrophobicContact CZ-CD2 4.44Å; F7-L155 HydrophobicContact CD1-CD2 4.42Å; F7-L155 HydrophobicContact CE1-CD2 4.07Å; F7-F171 HydrophobicContact CB-CE1 3.76Å; F7-F171 HydrophobicContact CB-CZ 4.46Å; F7-F171 AromaticContact CD1-CE1 3.64Å; F7-F171 HydrophobicContact CD1-CE1 3.64Å; F7-F171 AromaticContact CD1-CZ 3.51Å; F7-F171 HydrophobicContact CD1-CZ 3.51Å; F7-F171 HydrophobicContact CD2-CE1 4.17Å; F7-F171 HydrophobicContact CE1-CE1 4.3Å; F7-F171 AromaticContact CE1-CZ 3.86Å; F7-F171 HydrophobicContact CE1-CZ 3.86Å; F7-F171 AromaticContact CG-CE1 3.57Å; F7-F171 HydrophobicContact CG-CE1 3.57Å; F7-F171 AromaticContact CG-CZ 3.96Å; F7-F171 HydrophobicContact CG-CZ 3.96Å; F7-E382 HydrophobicContact CE2-CG 4.29Å; F7-E382 WeakPolarHBondContact CE2-OE1 3.47Å; F7-E382 HydrophobicContact CZ-CG 3.86Å; F7-E382 VanDerWaalsContact CZ-OE1 3.29Å; F7-E382 WeakPolarHBondContact CZ-OE1 3.3Å; F7-W386 AromaticContact CE1-NE1 3.75Å; F7-W386 AromaticContact CZ-NE1 3.77Å |
| 8 | V | 96.1 | Very high | 90.2 | Very high | 2 Ų | 2 | 61.6 Ų | 61.6 | 1% | 0.012 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.2 | -48 | -179.6 | 167.7 | 0 | 0 | 0 | 0 | 110.7 | L4 E5 K10 T11 L12 L152 L155 N156 | L4-V8 WeakPolarHBondContact O-CG2 3.38Å; L4-V8 PolarHBondContact O-N 3.28Å; E5-V8 PolarHBondContact O-N 3.12Å; V8-K10 PolarHBondContact O-N 3.39Å; V8-T11 PolarHBondContact O-N 3.3Å; V8-L12 HydrophobicContact CG1-CD1 3.65Å; V8-L12 HydrophobicContact CG1-CG 4.16Å; V8-L12 WeakPolarHBondContact O-CB 2.84Å; V8-L12 VanDerWaalsContact O-CG 3.25Å; V8-L12 WeakPolarHBondContact O-CG 3.33Å; V8-L12 PolarHBondContact O-N 2.68Å; V8-L152 HydrophobicContact CG1-CB 4.16Å; V8-L152 HydrophobicContact CG2-CD2 4.44Å; V8-L155 HydrophobicContact CG2-CD2 4.07Å; V8-L155 HydrophobicContact CG2-CG 4.33Å; V8-N156 HydrophobicContact CB-CB 4.31Å; V8-N156 HydrophobicContact CG1-CB 4.04Å; V8-N156 HydrophobicContact CG2-CB 4.09Å |
| 9 | S | 95.9 | Very high | 90.2 | Very high | 53 Ų | 53 | 61.6 Ų | 61.6 | 37% | 0.371 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -58.9 | -50.8 | -179.7 | -55.4 | 0 | 0 | 0 | 0 | 111.2 | E5 F7 T11 L12 E13 | E5-S9 WeakPolarHBondContact O-CB 3.45Å; E5-S9 PolarHBondContact O-N 2.65Å; E5-S9 PolarHBondContact O-OG 3.39Å; F7-S9 PolarHBondContact O-N 2.98Å; S9-T11 PolarHBondContact O-N 2.78Å; S9-L12 PolarHBondContact O-N 3.09Å; S9-E13 PolarHBondContact O-N 3.14Å; S9-E13 VanDerWaalsContact O-N 3.15Å |
| 10 | K | 96 | Very high | 90.1 | Very high | 104 Ų | 104 | 63.9 Ų | 63.9 | 45% | 0.452 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.3 | -48.7 | 176.2 | -174.6 | -172.8 | 176.7 | -166.4 | 0 | 111.9 | K6 F7 V8 L12 E13 L14 K416 | K6-K10 VanDerWaalsContact O-CB 3.29Å; K6-K10 WeakPolarHBondContact O-CB 3.32Å; K6-K10 PolarHBondContact O-N 3.23Å; F7-K10 PolarHBondContact O-N 2.96Å; V8-K10 PolarHBondContact O-N 3.39Å; K10-L12 VanDerWaalsContact C-N 3.3Å; K10-L12 PolarHBondContact O-N 3.33Å; K10-E13 PolarHBondContact O-N 2.76Å; K10-L14 HydrophobicContact CG-CD1 4.18Å; K10-L14 WeakPolarHBondContact O-CG 3.4Å; K10-L14 PolarHBondContact O-N 3.29Å; K10-K416 WeakPolarHBondContact CE-O 3.24Å; K10-K416 PolarHBondContact NZ-O 3.42Å |
| 11 | T | 95.4 | Very high | 90 | Very high | 14 Ų | 14 | 62.3 Ų | 62.3 | 9% | 0.086 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -67.6 | -31.5 | -176.9 | -58.4 | 0 | 0 | 0 | 0 | 112 | F7 V8 S9 L15 L152 | F7-T11 WeakPolarHBondContact CE2-OG1 3.41Å; F7-T11 VanDerWaalsContact O-CB 3.32Å; F7-T11 WeakPolarHBondContact O-CB 3.36Å; F7-T11 PolarHBondContact O-N 3.12Å; F7-T11 PolarHBondContact O-OG1 2.81Å; V8-T11 PolarHBondContact O-N 3.3Å; S9-T11 PolarHBondContact O-N 2.78Å; T11-L15 HydrophobicContact CG2-CD1 4.44Å; T11-L15 HydrophobicContact CG2-CG 4.47Å; T11-L15 WeakPolarHBondContact O-CB 3.36Å; T11-L15 VanDerWaalsContact O-CG 3.3Å; T11-L15 WeakPolarHBondContact O-CG 3.35Å; T11-L15 PolarHBondContact O-N 3Å; T11-L152 HydrophobicContact CG2-CD1 3.75Å; T11-L152 HydrophobicContact CG2-CD2 4.33Å |
| 12 | L | 96.3 | Very high | 91.2 | Very high | 36 Ų | 36 | 60.4 Ų | 60.4 | 19% | 0.188 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67 | -39.5 | 173.5 | -75.6 | 173.4 | 0 | 0 | 0 | 112.7 | V8 S9 K10 Q16 K149 L152 | V8-L12 HydrophobicContact CG1-CD1 3.65Å; V8-L12 HydrophobicContact CG1-CG 4.16Å; V8-L12 WeakPolarHBondContact O-CB 2.84Å; V8-L12 VanDerWaalsContact O-CG 3.25Å; V8-L12 WeakPolarHBondContact O-CG 3.33Å; V8-L12 PolarHBondContact O-N 2.68Å; S9-L12 PolarHBondContact O-N 3.09Å; K10-L12 VanDerWaalsContact C-N 3.3Å; K10-L12 PolarHBondContact O-N 3.33Å; L12-Q16 PolarHBondContact O-N 2.84Å; L12-Q16 VanDerWaalsContact O-N 3.12Å; L12-K149 HydrophobicContact CD2-CB 4.05Å; L12-K149 HydrophobicContact CD2-CD 4.19Å; L12-K149 HydrophobicContact CD2-CG 3.69Å; L12-L152 HydrophobicContact CD2-CB 4.11Å; L12-L152 HydrophobicContact CD2-CD1 3.83Å; L12-L152 HydrophobicContact CG-CB 4.38Å; L12-L152 HydrophobicContact CG-CD1 4.12Å |
| 13 | E | 96.2 | Very high | 91.9 | Very high | 135 Ų | 135 | 55.9 Ų | 55.9 | 63% | 0.631 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -63.1 | -47.9 | 173.2 | -69.6 | 170.1 | -173.2 | 0 | 0 | 111.1 | S9 K10 L15 Q16 E17 | S9-E13 PolarHBondContact O-N 3.14Å; S9-E13 VanDerWaalsContact O-N 3.15Å; K10-E13 PolarHBondContact O-N 2.76Å; E13-L15 PolarHBondContact O-N 3.43Å; E13-Q16 WeakPolarHBondContact O-CB 3.3Å; E13-Q16 PolarHBondContact O-N 3.33Å; E13-Q16 VanDerWaalsContact O-N 3.08Å; E13-E17 PolarHBondContact O-N 3.5Å |
| 14 | L | 95.8 | Very high | 91.9 | Very high | 8 Ų | 8 | 57.5 Ų | 57.5 | 4% | 0.042 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.6 | -38.2 | 179.3 | -63.5 | 178.6 | 0 | 0 | 0 | 112.9 | K10 Q16 E17 E18 A413 K416 L418 | K10-L14 HydrophobicContact CG-CD1 4.18Å; K10-L14 WeakPolarHBondContact O-CG 3.4Å; K10-L14 PolarHBondContact O-N 3.29Å; L14-Q16 VanDerWaalsContact C-N 3.3Å; L14-Q16 PolarHBondContact O-N 3.04Å; L14-E17 PolarHBondContact O-N 3.11Å; L14-E18 WeakPolarHBondContact O-CB 3.4Å; L14-E18 PolarHBondContact O-N 3.4Å; L14-A413 HydrophobicContact CD2-CB 4.3Å; L14-K416 HydrophobicContact CD1-CB 4.29Å; L14-K416 HydrophobicContact CD2-CB 3.44Å; L14-K416 VanDerWaalsContact CD2-CB 3.44Å; L14-K416 HydrophobicContact CD2-CD 3.48Å; L14-K416 VanDerWaalsContact CD2-CD 3.48Å; L14-K416 HydrophobicContact CD2-CG 4.11Å; L14-L418 HydrophobicContact CB-CB 4.29Å; L14-L418 HydrophobicContact CB-CD1 4.18Å; L14-L418 HydrophobicContact CB-CD2 4.37Å; L14-L418 HydrophobicContact CD1-CB 4.23Å |
| 15 | L | 93.8 | Very high | 91.2 | Very high | 8 Ų | 8 | 58.6 Ų | 58.6 | 4% | 0.042 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.6 | -29.1 | 173.6 | -78 | 180 | 0 | 0 | 0 | 113.1 | T11 E13 R19 M148 L152 L418 | T11-L15 HydrophobicContact CG2-CD1 4.44Å; T11-L15 HydrophobicContact CG2-CG 4.47Å; T11-L15 WeakPolarHBondContact O-CB 3.36Å; T11-L15 VanDerWaalsContact O-CG 3.3Å; T11-L15 WeakPolarHBondContact O-CG 3.35Å; T11-L15 PolarHBondContact O-N 3Å; E13-L15 PolarHBondContact O-N 3.43Å; L15-R19 WeakPolarHBondContact O-CB 3.24Å; L15-R19 PolarHBondContact O-N 3.38Å; L15-R19 VanDerWaalsContact O-N 3.11Å; L15-M148 HydrophobicContact CD1-CB 3.9Å; L15-M148 HydrophobicContact CD1-CE 4.43Å; L15-M148 HydrophobicContact CD2-CE 3.64Å; L15-M148 HydrophobicContact CD2-SD 4.36Å; L15-L152 HydrophobicContact CD1-CD1 3.65Å; L15-L418 HydrophobicContact CD2-CD1 4.25Å |
| 16 | Q | 93 | Very high | 90.4 | Very high | 65 Ų | 65 | 54.9 Ų | 54.9 | 30% | 0.304 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -73.8 | -43 | 174.5 | -176.7 | 67.5 | 31.2 | 0 | 0 | 110.6 | L12 E13 L14 R19 E20 | L12-Q16 PolarHBondContact O-N 2.84Å; L12-Q16 VanDerWaalsContact O-N 3.12Å; E13-Q16 WeakPolarHBondContact O-CB 3.3Å; E13-Q16 PolarHBondContact O-N 3.33Å; E13-Q16 VanDerWaalsContact O-N 3.08Å; L14-Q16 VanDerWaalsContact C-N 3.3Å; L14-Q16 PolarHBondContact O-N 3.04Å; Q16-R19 PolarHBondContact O-N 3.38Å; Q16-E20 WeakPolarHBondContact CG-OE1 3.35Å; Q16-E20 PolarHBondContact NE2-OE1 3.35Å; Q16-E20 WeakPolarHBondContact O-CB 3.18Å; Q16-E20 WeakPolarHBondContact O-CG 3.46Å; Q16-E20 PolarHBondContact O-N 2.97Å |
| 17 | E | 93.4 | Very high | 89.6 | Confident | 46 Ų | 46 | 50.4 Ų | 50.4 | 22% | 0.215 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.5 | -42 | 175.4 | -174.2 | 175.4 | -167.2 | 0 | 0 | 112 | E13 L14 E20 A21 T412 A413 K416 | E13-E17 PolarHBondContact O-N 3.5Å; L14-E17 PolarHBondContact O-N 3.11Å; E17-E20 PolarHBondContact O-N 2.88Å; E17-A21 PolarHBondContact O-N 3.27Å; E17-T412 VanDerWaalsContact OE1-CB 3.23Å; E17-T412 WeakPolarHBondContact OE1-CB 3.45Å; E17-T412 PolarHBondContact OE1-OG1 2.84Å; E17-A413 HydrophobicContact CB-CB 4.4Å; E17-A413 HydrophobicContact CG-CB 4.27Å; E17-K416 IonicContact OE1-NZ 3.16Å; E17-K416 PolarHBondContact OE1-NZ 3.45Å; E17-K416 IonicContact OE2-NZ 3.29Å; E17-K416 PolarHBondContact OE2-NZ 3.44Å |
| 18 | E | 91.6 | Very high | 88.8 | Confident | 9 Ų | 9 | 52.6 Ų | 52.6 | 4% | 0.042 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.7 | -44.3 | 174 | 175.8 | 62.2 | 177.1 | 0 | 0 | 112.4 | L14 E20 A21 E22 Y145 I408 K409 S410 L418 | L14-E18 WeakPolarHBondContact O-CB 3.4Å; L14-E18 PolarHBondContact O-N 3.4Å; E18-E20 VanDerWaalsContact C-N 3.33Å; E18-E20 PolarHBondContact O-N 2.89Å; E18-A21 PolarHBondContact O-N 2.95Å; E18-E22 PolarHBondContact O-N 3.42Å; E18-Y145 HydrophobicContact CB-CE1 4.5Å; E18-Y145 HydrophobicContact CG-CE1 4.12Å; E18-I408 WeakPolarHBondContact OE1-CA 3.24Å; E18-I408 VanDerWaalsContact OE2-CG2 3.25Å; E18-I408 WeakPolarHBondContact OE2-CG2 3.07Å; E18-K409 VanDerWaalsContact CD-N 3.35Å; E18-K409 PolarHBondContact OE1-N 3.05Å; E18-K409 PolarHBondContact OE2-N 3.28Å; E18-K409 VanDerWaalsContact OE2-N 3.11Å; E18-S410 VanDerWaalsContact OE2-CB 3.23Å; E18-S410 WeakPolarHBondContact OE2-CB 3.35Å; E18-S410 PolarHBondContact OE2-N 2.99Å; E18-L418 HydrophobicContact CB-CD2 3.8Å; E18-L418 HydrophobicContact CG-CD2 4.15Å |
| 19 | R | 89 | Confident | 87.7 | Confident | 61 Ų | 61 | 57 Ų | 57 | 23% | 0.23 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.6 | -40.2 | 176.8 | 180 | 179.4 | 177.3 | -87.6 | -3 | 112.2 | L15 Q16 I23 D142 Y145 | L15-R19 WeakPolarHBondContact O-CB 3.24Å; L15-R19 PolarHBondContact O-N 3.38Å; L15-R19 VanDerWaalsContact O-N 3.11Å; Q16-R19 PolarHBondContact O-N 3.38Å; R19-I23 HydrophobicContact CG-CD1 3.97Å; R19-I23 WeakPolarHBondContact O-CB 3.44Å; R19-I23 WeakPolarHBondContact O-CD1 3.38Å; R19-I23 WeakPolarHBondContact O-CG1 3.27Å; R19-I23 PolarHBondContact O-N 2.95Å; R19-I23 VanDerWaalsContact O-N 3.08Å; R19-D142 IonicContact CZ-OD1 2.67Å; R19-D142 VanDerWaalsContact CZ-OD1 3.22Å; R19-D142 IonicContact NE-OD1 2.82Å; R19-D142 PolarHBondContact NE-OD1 3.46Å; R19-D142 IonicContact NH2-OD1 2.89Å; R19-D142 PolarHBondContact NH2-OD1 3.29Å; R19-D142 IonicContact NH2-OD2 3.55Å; R19-D142 PolarHBondContact NH2-OD2 3.42Å; R19-Y145 HydrophobicContact CB-CD1 3.74Å; R19-Y145 HydrophobicContact CB-CD2 4.4Å; R19-Y145 HydrophobicContact CB-CE1 3.69Å; R19-Y145 HydrophobicContact CB-CE2 4.36Å; R19-Y145 HydrophobicContact CB-CG 4.1Å; R19-Y145 HydrophobicContact CG-CD1 4.24Å; R19-Y145 HydrophobicContact CG-CD2 4.14Å; R19-Y145 HydrophobicContact CG-CE1 4.45Å; R19-Y145 HydrophobicContact CG-CE2 4.35Å; R19-Y145 HydrophobicContact CG-CG 4.08Å |
| 20 | E | 89.3 | Confident | 86.5 | Confident | 108 Ų | 108 | 57.8 Ų | 57.8 | 51% | 0.505 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -67.4 | -39 | 176.7 | -75.9 | 170.6 | -169.3 | 0 | 0 | 111.4 | Q16 E17 E18 I23 E24 | Q16-E20 WeakPolarHBondContact CG-OE1 3.35Å; Q16-E20 PolarHBondContact NE2-OE1 3.35Å; Q16-E20 WeakPolarHBondContact O-CB 3.18Å; Q16-E20 WeakPolarHBondContact O-CG 3.46Å; Q16-E20 PolarHBondContact O-N 2.97Å; E17-E20 PolarHBondContact O-N 2.88Å; E18-E20 VanDerWaalsContact C-N 3.33Å; E18-E20 PolarHBondContact O-N 2.89Å; E20-I23 PolarHBondContact O-N 3.49Å; E20-E24 WeakPolarHBondContact O-CB 3.33Å; E20-E24 PolarHBondContact O-N 2.9Å |
| 21 | A | 87.6 | Confident | 85.6 | Confident | 31 Ų | 31 | 59 Ų | 59 | 26% | 0.256 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.2 | -45 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113 | E17 E18 I23 E24 E25 K409 | E17-A21 PolarHBondContact O-N 3.27Å; E18-A21 PolarHBondContact O-N 2.95Å; A21-I23 VanDerWaalsContact C-N 3.34Å; A21-I23 PolarHBondContact O-N 3.4Å; A21-E24 PolarHBondContact O-N 2.88Å; A21-E25 WeakPolarHBondContact O-CB 3.24Å; A21-E25 PolarHBondContact O-N 3.04Å; A21-K409 HydrophobicContact CB-CB 4.39Å |
| 22 | E | 83.5 | Confident | 84.7 | Confident | 45 Ų | 45 | 64.3 Ų | 64.3 | 21% | 0.21 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.7 | -39.5 | 176 | -173.4 | -173.8 | 153.4 | 0 | 0 | 111.9 | E18 T26 A140 N141 Y145 | E18-E22 PolarHBondContact O-N 3.42Å; E22-T26 WeakPolarHBondContact O-CB 3.15Å; E22-T26 PolarHBondContact O-N 3.34Å; E22-T26 VanDerWaalsContact O-N 3.09Å; E22-T26 PolarHBondContact O-OG1 3.27Å; E22-A140 HydrophobicContact CG-CB 4.15Å; E22-A140 WeakPolarHBondContact OE1-CA 3.36Å; E22-A140 WeakPolarHBondContact OE1-CB 3.35Å; E22-N141 PolarHBondContact OE1-N 2.81Å; E22-Y145 WeakPolarHBondContact OE2-CE2 3.44Å; E22-Y145 VanDerWaalsContact OE2-CZ 3.3Å; E22-Y145 PolarHBondContact OE2-OH 2.76Å |
| 23 | I | 82.3 | Confident | 83.8 | Confident | 69 Ų | 69 | 64.3 Ų | 64.3 | 35% | 0.354 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.5 | -45.8 | 177.1 | -71.1 | 167.2 | 0 | 0 | 0 | 110.9 | R19 E20 A21 T26 K27 A140 | R19-I23 HydrophobicContact CG-CD1 3.97Å; R19-I23 WeakPolarHBondContact O-CB 3.44Å; R19-I23 WeakPolarHBondContact O-CD1 3.38Å; R19-I23 WeakPolarHBondContact O-CG1 3.27Å; R19-I23 PolarHBondContact O-N 2.95Å; R19-I23 VanDerWaalsContact O-N 3.08Å; E20-I23 PolarHBondContact O-N 3.49Å; A21-I23 VanDerWaalsContact C-N 3.34Å; A21-I23 PolarHBondContact O-N 3.4Å; I23-T26 PolarHBondContact O-N 3.21Å; I23-K27 VanDerWaalsContact O-CB 3.31Å; I23-K27 WeakPolarHBondContact O-CB 3.42Å; I23-K27 PolarHBondContact O-N 3.38Å; I23-A140 HydrophobicContact CG1-CB 4.46Å |
| 24 | E | 83.6 | Confident | 83 | Confident | 83 Ų | 83 | 60.6 Ų | 60.6 | 39% | 0.388 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -69.9 | -38.7 | -178.5 | -166.2 | 60.6 | -151.6 | 0 | 0 | 111.7 | E20 A21 T26 K27 I28 | E20-E24 WeakPolarHBondContact O-CB 3.33Å; E20-E24 PolarHBondContact O-N 2.9Å; A21-E24 PolarHBondContact O-N 2.88Å; E24-T26 VanDerWaalsContact C-N 3.34Å; E24-T26 PolarHBondContact O-N 3.46Å; E24-K27 VanDerWaalsContact CD-NZ 3.3Å; E24-K27 PolarHBondContact O-N 3.43Å; E24-K27 IonicContact OE1-NZ 3.3Å; E24-K27 PolarHBondContact OE1-NZ 3.31Å; E24-K27 IonicContact OE2-NZ 3.53Å; E24-K27 PolarHBondContact OE2-NZ 2.93Å; E24-I28 HydrophobicContact CG-CD1 4.14Å; E24-I28 HydrophobicContact CG-CG1 4.48Å; E24-I28 WeakPolarHBondContact O-CB 3.39Å; E24-I28 VanDerWaalsContact O-CG1 3.24Å; E24-I28 WeakPolarHBondContact O-CG1 3.46Å; E24-I28 PolarHBondContact O-N 2.92Å |
| 25 | E | 77.1 | Confident | 82.3 | Confident | 45 Ų | 45 | 63.1 Ų | 63.1 | 21% | 0.21 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.5 | -47 | 171 | -175.3 | -173.5 | -172.6 | 0 | 0 | 111.2 | A21 K27 I28 W29 K409 | A21-E25 WeakPolarHBondContact O-CB 3.24Å; A21-E25 PolarHBondContact O-N 3.04Å; E25-K27 VanDerWaalsContact C-N 3.32Å; E25-K27 PolarHBondContact O-N 2.94Å; E25-I28 PolarHBondContact O-N 3.45Å; E25-W29 HydrophobicContact CG-CZ2 4.26Å; E25-W29 VanDerWaalsContact O-CD1 3.28Å; E25-W29 PolarHBondContact O-N 2.89Å; E25-W29 VanDerWaalsContact O-N 3.14Å; E25-K409 IonicContact OE1-NZ 3.26Å; E25-K409 PolarHBondContact OE1-NZ 2.88Å; E25-K409 VanDerWaalsContact OE2-CD 3.31Å; E25-K409 WeakPolarHBondContact OE2-CD 3.27Å; E25-K409 WeakPolarHBondContact OE2-CE 3.23Å; E25-K409 IonicContact OE2-NZ 3.6Å; E25-K409 PolarHBondContact OE2-NZ 2.78Å |
| 26 | T | 73.9 | Confident | 81.6 | Confident | 31 Ų | 31 | 69.5 Ų | 69.5 | 19% | 0.19 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.4 | -39 | 177.1 | -56.6 | 0 | 0 | 0 | 0 | 111.7 | E22 I23 E24 W29 Q30 | E22-T26 WeakPolarHBondContact O-CB 3.15Å; E22-T26 PolarHBondContact O-N 3.34Å; E22-T26 VanDerWaalsContact O-N 3.09Å; E22-T26 PolarHBondContact O-OG1 3.27Å; I23-T26 PolarHBondContact O-N 3.21Å; E24-T26 VanDerWaalsContact C-N 3.34Å; E24-T26 PolarHBondContact O-N 3.46Å; T26-W29 PolarHBondContact O-N 2.88Å; T26-Q30 WeakPolarHBondContact O-CG 3.48Å; T26-Q30 PolarHBondContact O-N 3.13Å |
| 27 | K | 77 | Confident | 80.9 | Confident | 72 Ų | 72 | 70 Ų | 70 | 31% | 0.313 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -70.8 | -42.4 | 179.4 | 179.1 | 171.7 | 146.9 | -104.8 | 0 | 112.2 | I23 E24 E25 W29 Q30 E31 | I23-K27 VanDerWaalsContact O-CB 3.31Å; I23-K27 WeakPolarHBondContact O-CB 3.42Å; I23-K27 PolarHBondContact O-N 3.38Å; E24-K27 VanDerWaalsContact CD-NZ 3.3Å; E24-K27 PolarHBondContact O-N 3.43Å; E24-K27 IonicContact OE1-NZ 3.3Å; E24-K27 PolarHBondContact OE1-NZ 3.31Å; E24-K27 IonicContact OE2-NZ 3.53Å; E24-K27 PolarHBondContact OE2-NZ 2.93Å; E25-K27 VanDerWaalsContact C-N 3.32Å; E25-K27 PolarHBondContact O-N 2.94Å; K27-W29 PolarHBondContact O-N 3.23Å; K27-Q30 PolarHBondContact O-N 3.24Å; K27-E31 WeakPolarHBondContact CE-OE1 3.4Å; K27-E31 HydrophobicContact CG-CG 4.3Å; K27-E31 PolarHBondContact O-N 3.09Å |
| 28 | I | 77.9 | Confident | 80.2 | Confident | 80 Ų | 80 | 68 Ų | 68 | 41% | 0.41 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -55.8 | -39.9 | 172.2 | -71.8 | 164.6 | 0 | 0 | 0 | 110.4 | E24 E25 N32 | E24-I28 HydrophobicContact CG-CD1 4.14Å; E24-I28 HydrophobicContact CG-CG1 4.48Å; E24-I28 WeakPolarHBondContact O-CB 3.39Å; E24-I28 VanDerWaalsContact O-CG1 3.24Å; E24-I28 WeakPolarHBondContact O-CG1 3.46Å; E24-I28 PolarHBondContact O-N 2.92Å; E25-I28 PolarHBondContact O-N 3.45Å; I28-N32 WeakPolarHBondContact O-CB 3.28Å; I28-N32 PolarHBondContact O-N 3.46Å; I28-N32 PolarHBondContact O-ND2 3.05Å; I28-N32 VanDerWaalsContact O-ND2 3.13Å |
| 29 | W | 72.2 | Confident | 79.7 | Confident | 94 Ų | 94 | 69.5 Ų | 69.5 | 36% | 0.356 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -68.3 | -37.1 | 174.6 | -67.1 | 9.3 | 0 | 0 | 0 | 112.7 | E25 T26 K27 I33 L38 V43 | E25-W29 HydrophobicContact CG-CZ2 4.26Å; E25-W29 VanDerWaalsContact O-CD1 3.28Å; E25-W29 PolarHBondContact O-N 2.89Å; E25-W29 VanDerWaalsContact O-N 3.14Å; T26-W29 PolarHBondContact O-N 2.88Å; K27-W29 PolarHBondContact O-N 3.23Å; W29-I33 HydrophobicContact CB-CD1 3.98Å; W29-I33 HydrophobicContact CG-CD1 3.97Å; W29-I33 VanDerWaalsContact O-CB 3.26Å; W29-I33 WeakPolarHBondContact O-CB 3.39Å; W29-I33 PolarHBondContact O-N 3.28Å; W29-L38 HydrophobicContact CB-CD2 4.19Å; W29-V43 HydrophobicContact CZ3-CG1 4.32Å |
| 30 | Q | 71.1 | Confident | 78.9 | Confident | 69 Ų | 69 | 71.6 Ų | 71.6 | 32% | 0.322 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -70.3 | -35.4 | 176.8 | -72.2 | 175.4 | 12.2 | 0 | 0 | 113.3 | T26 K27 L137 | T26-Q30 WeakPolarHBondContact O-CG 3.48Å; T26-Q30 PolarHBondContact O-N 3.13Å; K27-Q30 PolarHBondContact O-N 3.24Å; Q30-L137 HydrophobicContact CG-CD2 4.06Å |
| 31 | E | 76.7 | Confident | 78.1 | Confident | 130 Ų | 130 | 72 Ų | 72 | 61% | 0.607 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -87.1 | -37.7 | -174.6 | -69.1 | 179.2 | 173.9 | 0 | 0 | 113.1 | K27 | K27-E31 WeakPolarHBondContact CE-OE1 3.4Å; K27-E31 HydrophobicContact CG-CG 4.3Å; K27-E31 PolarHBondContact O-N 3.09Å |
| 32 | N | 77.5 | Confident | 77.5 | Confident | 125 Ų | 125 | 70.7 Ų | 70.7 | 67% | 0.668 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -102.1 | -9.8 | -171.9 | -61.1 | -66.9 | 0 | 0 | 0 | 115 | I28 | I28-N32 WeakPolarHBondContact O-CB 3.28Å; I28-N32 PolarHBondContact O-N 3.46Å; I28-N32 PolarHBondContact O-ND2 3.05Å; I28-N32 VanDerWaalsContact O-ND2 3.13Å |
| 33 | I | 77.1 | Confident | 77.4 | Confident | 36 Ų | 36 | 69.6 Ų | 69.6 | 19% | 0.185 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -114.8 | 134 | -176 | -50.4 | 179 | 0 | 0 | 0 | 109.5 | W29 D37 L38 K41 | W29-I33 HydrophobicContact CB-CD1 3.98Å; W29-I33 HydrophobicContact CG-CD1 3.97Å; W29-I33 VanDerWaalsContact O-CB 3.26Å; W29-I33 WeakPolarHBondContact O-CB 3.39Å; W29-I33 PolarHBondContact O-N 3.28Å; I33-D37 HydrophobicContact CG2-CB 3.56Å; I33-L38 HydrophobicContact CB-CD2 3.94Å; I33-L38 HydrophobicContact CB-CG 4.09Å; I33-L38 HydrophobicContact CD1-CD2 4.19Å; I33-L38 HydrophobicContact CG2-CD2 3.87Å; I33-L38 HydrophobicContact CG2-CG 3.89Å; I33-K41 HydrophobicContact CD1-CD 4.43Å |
| 34 | S | 80.6 | Confident | 77.6 | Confident | 57 Ų | 57 | 66.3 Ų | 66.3 | 40% | 0.399 | 33% | 0.326 | S | S | . | . | trans | -64.8 | 148.4 | 178.3 | 91 | 0 | 0 | 0 | 0 | 111.1 | K36 D37 L38 | S34-K36 PolarHBondContact O-N 3.38Å; S34-K36 PolarHBondContact OG-N 3.24Å; S34-D37 WeakPolarHBondContact CB-OD2 3.34Å; S34-D37 PolarHBondContact O-N 2.96Å; S34-D37 VanDerWaalsContact OG-CG 3.23Å; S34-D37 PolarHBondContact OG-N 2.8Å; S34-D37 PolarHBondContact OG-OD2 3.3Å; S34-L38 PolarHBondContact O-N 3.28Å | ||
| 35 | L | 80.4 | Confident | 77.8 | Confident | 61 Ų | 61 | 62.4 Ų | 62.4 | 32% | 0.319 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -54.6 | -30.7 | 176.7 | -65.7 | 179.9 | 0 | 0 | 0 | 112.8 | L38 Q39 L46 C96 | L35-L38 HydrophobicContact CD2-CD1 4.39Å; L35-Q39 PolarHBondContact O-N 3.05Å; L35-L46 HydrophobicContact CB-CD1 4.07Å; L35-L46 HydrophobicContact CB-CD2 4.17Å; L35-L46 HydrophobicContact CD1-CD2 4.45Å; L35-C96 HydrophobicContact CD2-CB 3.86Å |
| 36 | K | 78.8 | Confident | 78.3 | Confident | 142 Ų | 142 | 61.9 Ų | 61.9 | 62% | 0.617 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -72.2 | -37.4 | 176.9 | -166.5 | 177.2 | -177.1 | -175.9 | 0 | 111.7 | S34 Q39 N40 | S34-K36 PolarHBondContact O-N 3.38Å; S34-K36 PolarHBondContact OG-N 3.24Å; K36-Q39 WeakPolarHBondContact O-CB 3.04Å; K36-Q39 PolarHBondContact O-N 3.35Å; K36-N40 PolarHBondContact O-N 3.45Å; K36-N40 PolarHBondContact O-ND2 3.22Å; K36-N40 PolarHBondContact O-OD1 3.46Å |
| 37 | D | 77.5 | Confident | 78.9 | Confident | 77 Ų | 77 | 66.3 Ų | 66.3 | 41% | 0.412 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -75.4 | -31.6 | 176.5 | -58.5 | -48 | 0 | 0 | 0 | 111.8 | I33 S34 Q39 N40 K41 | I33-D37 HydrophobicContact CG2-CB 3.56Å; S34-D37 WeakPolarHBondContact CB-OD2 3.34Å; S34-D37 PolarHBondContact O-N 2.96Å; S34-D37 VanDerWaalsContact OG-CG 3.23Å; S34-D37 PolarHBondContact OG-N 2.8Å; S34-D37 PolarHBondContact OG-OD2 3.3Å; D37-Q39 VanDerWaalsContact C-N 3.31Å; D37-N40 PolarHBondContact O-N 3.02Å; D37-N40 PolarHBondContact OD1-ND2 3.41Å; D37-K41 WeakPolarHBondContact O-CB 3.42Å; D37-K41 WeakPolarHBondContact O-CG 3.23Å; D37-K41 PolarHBondContact O-N 2.99Å |
| 38 | L | 79.1 | Confident | 79.4 | Confident | 4 Ų | 4 | 63.1 Ų | 63.1 | 2% | 0.021 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.3 | -34.8 | 167.4 | -68.5 | 177.2 | 0 | 0 | 0 | 112.3 | W29 I33 S34 L35 G42 V43 C44 | W29-L38 HydrophobicContact CB-CD2 4.19Å; I33-L38 HydrophobicContact CB-CD2 3.94Å; I33-L38 HydrophobicContact CB-CG 4.09Å; I33-L38 HydrophobicContact CD1-CD2 4.19Å; I33-L38 HydrophobicContact CG2-CD2 3.87Å; I33-L38 HydrophobicContact CG2-CG 3.89Å; S34-L38 PolarHBondContact O-N 3.28Å; L35-L38 HydrophobicContact CD2-CD1 4.39Å; L38-G42 PolarHBondContact O-N 3.46Å; L38-G42 VanDerWaalsContact O-N 3.14Å; L38-V43 HydrophobicContact CB-CG2 4.02Å; L38-V43 HydrophobicContact CD2-CG2 3.76Å; L38-V43 HydrophobicContact CG-CG2 4.48Å; L38-V43 WeakPolarHBondContact O-CG2 3.36Å; L38-V43 PolarHBondContact O-N 3.46Å; L38-C44 HydrophobicContact CB-CB 3.94Å; L38-C44 PolarHBondContact O-N 3Å |
| 39 | Q | 81.1 | Confident | 79.9 | Confident | 40 Ų | 40 | 61.5 Ų | 61.5 | 19% | 0.187 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -69.8 | -40 | 171.1 | -179.6 | 168.5 | 60.9 | 0 | 0 | 112 | L35 K36 D37 G42 C44 L46 P77 | L35-Q39 PolarHBondContact O-N 3.05Å; K36-Q39 WeakPolarHBondContact O-CB 3.04Å; K36-Q39 PolarHBondContact O-N 3.35Å; D37-Q39 VanDerWaalsContact C-N 3.31Å; Q39-G42 WeakPolarHBondContact O-CA 3.32Å; Q39-G42 PolarHBondContact O-N 3.35Å; Q39-C44 WeakPolarHBondContact CA-O 3.29Å; Q39-L46 HydrophobicContact CB-CD1 4.42Å; Q39-L46 VanDerWaalsContact NE2-N 3.16Å; Q39-P77 HydrophobicContact CG-CB 4.48Å; Q39-P77 HydrophobicContact CG-CG 4.04Å |
| 40 | N | 73.5 | Confident | 80.6 | Confident | 105 Ų | 105 | 58.1 Ų | 58.1 | 56% | 0.561 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -64.3 | -37.9 | 173.6 | -64.6 | -27.3 | 0 | 0 | 0 | 112.2 | K36 D37 G42 | K36-N40 PolarHBondContact O-N 3.45Å; K36-N40 PolarHBondContact O-ND2 3.22Å; K36-N40 PolarHBondContact O-OD1 3.46Å; D37-N40 PolarHBondContact O-N 3.02Å; D37-N40 PolarHBondContact OD1-ND2 3.41Å; N40-G42 PolarHBondContact O-N 3.09Å |
| 41 | K | 70.9 | Confident | 81.1 | Confident | 117 Ų | 117 | 56.7 Ų | 56.7 | 51% | 0.509 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -7.4 | 170.2 | -73.2 | -172.5 | 175.7 | -164.7 | 0 | 113.3 | I33 D37 V43 | I33-K41 HydrophobicContact CD1-CD 4.43Å; D37-K41 WeakPolarHBondContact O-CB 3.42Å; D37-K41 WeakPolarHBondContact O-CG 3.23Å; D37-K41 PolarHBondContact O-N 2.99Å; K41-V43 HydrophobicContact CB-CG2 4.45Å; K41-V43 PolarHBondContact O-N 3.4Å |
| 42 | G | 75.7 | Confident | 81.4 | Confident | 3 Ų | 3 | 53.2 Ų | 53.2 | 3% | 0.031 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | 8.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | L38 Q39 N40 N79 S80 F81 | L38-G42 PolarHBondContact O-N 3.46Å; L38-G42 VanDerWaalsContact O-N 3.14Å; Q39-G42 WeakPolarHBondContact O-CA 3.32Å; Q39-G42 PolarHBondContact O-N 3.35Å; N40-G42 PolarHBondContact O-N 3.09Å; G42-N79 WeakPolarHBondContact O-CA 3.44Å; G42-N79 WeakPolarHBondContact O-CB 3.46Å; G42-S80 PolarHBondContact O-N 3.36Å; G42-S80 PolarHBondContact O-OG 2.69Å; G42-S80 VanDerWaalsContact O-OG 3.12Å; G42-F81 WeakPolarHBondContact O-CE2 3.44Å |
| 43 | V | 82.1 | Confident | 81.7 | Confident | 22 Ų | 22 | 50.6 Ų | 50.6 | 13% | 0.133 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -95.8 | -6.2 | -177.7 | -64.3 | 0 | 0 | 0 | 0 | 113.8 | W29 L38 K41 F81 K138 | W29-V43 HydrophobicContact CZ3-CG1 4.32Å; L38-V43 HydrophobicContact CB-CG2 4.02Å; L38-V43 HydrophobicContact CD2-CG2 3.76Å; L38-V43 HydrophobicContact CG-CG2 4.48Å; L38-V43 WeakPolarHBondContact O-CG2 3.36Å; L38-V43 PolarHBondContact O-N 3.46Å; K41-V43 HydrophobicContact CB-CG2 4.45Å; K41-V43 PolarHBondContact O-N 3.4Å; V43-F81 VanDerWaalsContact O-CZ 3.24Å; V43-F81 WeakPolarHBondContact O-CZ 3.42Å; V43-K138 WeakPolarHBondContact O-CB 3.49Å; V43-K138 PolarHBondContact O-N 3.22Å; V43-K138 VanDerWaalsContact O-N 3.1Å |
| 44 | C | 86.8 | Confident | 81.8 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 144.6 | 177.9 | -171.3 | 0 | 0 | 0 | 0 | 111.6 | L38 Q39 L46 L136 L137 | L38-C44 HydrophobicContact CB-CB 3.94Å; L38-C44 PolarHBondContact O-N 3Å; Q39-C44 WeakPolarHBondContact CA-O 3.29Å; C44-L46 VanDerWaalsContact SG-CD2 3.54Å; C44-L136 CarbonylContact C-O 3.59Å; C44-L136 WeakPolarHBondContact CA-O 3.1Å; C44-L136 PolarHBondContact SG-O 2.88Å; C44-L137 HydrophobicContact CB-CD1 3.77Å |
| 45 | L | 87.5 | Confident | 81.7 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 119.1 | 171.5 | -62.8 | 171.5 | 0 | 0 | 0 | 108.9 | L48 L76 P77 N79 F81 I115 L136 | L45-L48 HydrophobicContact CB-CD1 3.9Å; L45-L48 HydrophobicContact CB-CD2 4.42Å; L45-L48 HydrophobicContact CB-CG 4.32Å; L45-L48 HydrophobicContact CD1-CD1 4.38Å; L45-L76 HydrophobicContact CD1-CD1 4.46Å; L45-L76 HydrophobicContact CD1-CD2 4.21Å; L45-L76 HydrophobicContact CD2-CD2 4.48Å; L45-P77 HydrophobicContact CD2-CG 3.72Å; L45-N79 HydrophobicContact CD2-CB 4.11Å; L45-F81 HydrophobicContact CD1-CD2 4.25Å; L45-F81 HydrophobicContact CD1-CE2 4.04Å; L45-F81 HydrophobicContact CD1-CZ 4.47Å; L45-F81 HydrophobicContact CG-CD2 4.35Å; L45-F81 HydrophobicContact CG-CE2 3.74Å; L45-F81 HydrophobicContact CG-CZ 4.24Å; L45-I115 HydrophobicContact CD1-CD1 4.14Å; L45-I115 HydrophobicContact CD1-CG2 4.14Å; L45-L136 HydrophobicContact CB-CB 4.29Å; L45-L136 HydrophobicContact CD1-CD2 4.36Å; L45-L136 PolarHBondContact N-O 3.01Å; L45-L136 PolarHBondContact O-N 3.44Å |
| 46 | L | 87.4 | Confident | 81.2 | Confident | 34 Ų | 34 | 46.6 Ų | 46.6 | 18% | 0.178 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 147.5 | -174.8 | -57.5 | 175.1 | 0 | 0 | 0 | 112.1 | L35 Q39 C44 L48 N135 | L35-L46 HydrophobicContact CB-CD1 4.07Å; L35-L46 HydrophobicContact CB-CD2 4.17Å; L35-L46 HydrophobicContact CD1-CD2 4.45Å; Q39-L46 HydrophobicContact CB-CD1 4.42Å; Q39-L46 VanDerWaalsContact NE2-N 3.16Å; C44-L46 VanDerWaalsContact SG-CD2 3.54Å; L46-L48 PolarHBondContact O-N 3.21Å; L46-N135 WeakPolarHBondContact CA-OD1 3.17Å; L46-N135 HydrophobicContact CD2-CB 4.14Å |
| 47 | K | 85.5 | Confident | 80.6 | Confident | 124 Ų | 124 | 41.7 Ų | 41.7 | 54% | 0.539 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 57.2 | 44.9 | 169.5 | -54.2 | 176.5 | -178.1 | 178.6 | 0 | 114.7 | Y134 N135 | K47-Y134 PolarHBondContact N-O 3.24Å; K47-N135 PolarHBondContact N-OD1 3.28Å |
| 48 | L | 88 | Confident | 80 | Confident | 4 Ų | 4 | 41.3 Ų | 41.3 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 150.5 | 170.6 | -55.6 | 178.3 | 0 | 0 | 0 | 110.9 | L45 L46 L65 E66 L76 I115 L133 Y134 L136 | L45-L48 HydrophobicContact CB-CD1 3.9Å; L45-L48 HydrophobicContact CB-CD2 4.42Å; L45-L48 HydrophobicContact CB-CG 4.32Å; L45-L48 HydrophobicContact CD1-CD1 4.38Å; L46-L48 PolarHBondContact O-N 3.21Å; L48-L65 HydrophobicContact CB-CB 4.08Å; L48-L65 HydrophobicContact CB-CD2 4.44Å; L48-L65 HydrophobicContact CD1-CB 3.88Å; L48-L65 HydrophobicContact CD1-CD1 4.15Å; L48-E66 CarbonylContact C-O 3.57Å; L48-E66 WeakPolarHBondContact CA-O 3.41Å; L48-L76 HydrophobicContact CD2-CD2 3.61Å; L48-I115 HydrophobicContact CD1-CG2 3.9Å; L48-L133 CarbonylContact O-C 3.51Å; L48-L133 WeakPolarHBondContact O-CA 3.32Å; L48-Y134 PolarHBondContact N-O 3.17Å; L48-Y134 PolarHBondContact O-N 3.18Å; L48-L136 HydrophobicContact CD1-CB 4.06Å |
| 49 | Q | 88.3 | Confident | 79.4 | Confident | 46 Ų | 46 | 41.2 Ų | 41.2 | 22% | 0.215 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 154.5 | 171.4 | -177.8 | 172.9 | 6.5 | 0 | 0 | 109.5 | G51 L65 E66 S130 D131 | Q49-G51 PolarHBondContact O-N 2.88Å; Q49-L65 CarbonylContact O-C 3.57Å; Q49-L65 VanDerWaalsContact O-CA 3.32Å; Q49-L65 WeakPolarHBondContact O-CA 3.31Å; Q49-E66 PolarHBondContact N-O 3.03Å; Q49-E66 PolarHBondContact O-N 3.21Å; Q49-S130 WeakPolarHBondContact CG-O 3.37Å; Q49-S130 PolarHBondContact NE2-O 3.2Å; Q49-D131 PolarHBondContact NE2-OD1 2.87Å |
| 50 | I | 86.8 | Confident | 79.2 | Confident | 23 Ų | 23 | 42.7 Ų | 42.7 | 12% | 0.118 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 116 | 173.6 | -66 | 174.8 | 0 | 0 | 0 | 110.1 | I63 L65 F128 Y134 | I50-I63 HydrophobicContact CB-CG2 4.39Å; I50-I63 HydrophobicContact CD1-CG2 3.92Å; I50-I63 HydrophobicContact CG1-CG2 3.76Å; I50-I63 HydrophobicContact CG2-CG2 3.88Å; I50-L65 HydrophobicContact CG1-CD2 3.67Å; I50-F128 HydrophobicContact CD1-CB 3.25Å; I50-F128 HydrophobicContact CD1-CD1 3.98Å; I50-F128 HydrophobicContact CD1-CG 3.71Å; I50-Y134 HydrophobicContact CD1-CD2 4.26Å; I50-Y134 HydrophobicContact CD1-CE2 3.76Å; I50-Y134 HydrophobicContact CG1-CD2 4.15Å; I50-Y134 HydrophobicContact CG1-CE2 4.04Å |
| 51 | G | 82.7 | Confident | 79.4 | Confident | 39 Ų | 39 | 38.1 Ų | 38.1 | 40% | 0.402 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | -41.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q49 V64 | Q49-G51 PolarHBondContact O-N 2.88Å; G51-V64 PolarHBondContact N-O 3.48Å |
| 52 | S | 82.4 | Confident | 80 | Confident | 58 Ų | 58 | 33.5 Ų | 33.5 | 41% | 0.406 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 163.3 | 176.9 | 66.4 | 0 | 0 | 0 | 0 | 113.5 | V64 | S52-V64 PolarHBondContact N-O 3.45Å; S52-V64 PolarHBondContact O-N 3.38Å; S52-V64 WeakPolarHBondContact OG-CB 3.33Å; S52-V64 VanDerWaalsContact OG-CG2 3.27Å; S52-V64 WeakPolarHBondContact OG-CG2 3.42Å |
| 53 | Q | 82.8 | Confident | 80.6 | Confident | 69 Ų | 69 | 33.4 Ų | 33.4 | 32% | 0.322 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 129.8 | 177.8 | -179.1 | -177.4 | 14.7 | 0 | 0 | 108.3 | T61 V62 I63 | Q53-T61 HydrophobicContact CG-CG2 3.89Å; Q53-V62 WeakPolarHBondContact CA-O 3.31Å; Q53-I63 HydrophobicContact CG-CG1 4.47Å |
| 54 | S | 80.1 | Confident | 80.9 | Confident | 46 Ų | 46 | 33.4 Ų | 33.4 | 32% | 0.322 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 163.3 | -177.6 | 59.3 | 0 | 0 | 0 | 0 | 112.8 | V62 | S54-V62 PolarHBondContact N-O 2.95Å; S54-V62 PolarHBondContact O-N 3.31Å |
| 55 | T | 77.5 | Confident | 81 | Confident | 12 Ų | 12 | 33.5 Ų | 33.5 | 7% | 0.074 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 117.1 | 176 | -54.4 | 0 | 0 | 0 | 0 | 111 | I300 D301 L330 | T55-I300 HydrophobicContact CG2-CD1 4.35Å; T55-I300 HydrophobicContact CG2-CG2 4.22Å; T55-I300 VanDerWaalsContact OG1-CG2 3.31Å; T55-I300 WeakPolarHBondContact OG1-CG2 3.35Å; T55-D301 WeakPolarHBondContact CB-OD1 3.37Å; T55-D301 PolarHBondContact N-OD1 3.01Å; T55-D301 PolarHBondContact OG1-OD1 3.48Å; T55-L330 HydrophobicContact CG2-CD2 4.34Å |
| 56 | G | 70.6 | Confident | 81 | Confident | 12 Ų | 12 | 35.7 Ų | 35.7 | 12% | 0.124 | 19% | 0.191 | C | C | . | . | trans | -96.4 | -174.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | G59 R60 | G56-G59 PolarHBondContact O-N 3.43Å; G56-R60 PolarHBondContact N-O 3.29Å | ||
| 57 | L | 66.2 | Low | 80.9 | Confident | 39 Ų | 39 | 34.9 Ų | 34.9 | 20% | 0.204 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -57.4 | 148.3 | 179.6 | -68.9 | 146.2 | 0 | 0 | 0 | 112.5 | G59 R60 D281 L284 | L57-G59 PolarHBondContact O-N 3.05Å; L57-R60 WeakPolarHBondContact O-CB 3.5Å; L57-R60 WeakPolarHBondContact O-CG 3.27Å; L57-R60 PolarHBondContact O-N 3.06Å; L57-D281 HydrophobicContact CD1-CB 4.13Å; L57-D281 WeakPolarHBondContact CD1-OD1 3.47Å; L57-D281 WeakPolarHBondContact CD1-OD2 3.34Å; L57-L284 HydrophobicContact CD2-CD1 4.36Å |
| 58 | Y | 65.9 | Low | 80.5 | Confident | 70 Ų | 70 | 34.5 Ų | 34.5 | 28% | 0.275 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | 60.8 | 15.1 | -174.7 | -50.9 | -77.7 | 0 | 0 | 0 | 114 | R60 E334 I338 | Y58-R60 VanDerWaalsContact C-N 3.32Å; Y58-E334 VanDerWaalsContact CA-OE2 3.27Å; Y58-E334 WeakPolarHBondContact CA-OE2 3.25Å; Y58-E334 PolarHBondContact N-OE2 3.24Å; Y58-I338 HydrophobicContact CE1-CD1 3.65Å |
| 59 | G | 66.1 | Low | 79.4 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | 76.4 | 13.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | G56 L57 | G56-G59 PolarHBondContact O-N 3.43Å; L57-G59 PolarHBondContact O-N 3.05Å |
| 60 | R | 76.1 | Confident | 77.8 | Confident | 72 Ų | 72 | 48.1 Ų | 48.1 | 27% | 0.272 | 25% | 0.245 | S | C | . | . | trans | -63.6 | 147.2 | 177.5 | -71.9 | 173.9 | 166.6 | -179.2 | -9.8 | 111.4 | G56 L57 Y58 F119 D120 | G56-R60 PolarHBondContact N-O 3.29Å; L57-R60 WeakPolarHBondContact O-CB 3.5Å; L57-R60 WeakPolarHBondContact O-CG 3.27Å; L57-R60 PolarHBondContact O-N 3.06Å; Y58-R60 VanDerWaalsContact C-N 3.32Å; R60-F119 WeakPolarHBondContact CB-O 3.03Å; R60-D120 IonicContact CZ-OD1 3.93Å; R60-D120 IonicContact CZ-OD2 3.9Å; R60-D120 IonicContact NE-OD1 3.51Å; R60-D120 PolarHBondContact NE-OD1 3.25Å; R60-D120 IonicContact NE-OD2 3.64Å; R60-D120 VanDerWaalsContact NH2-CG 3.29Å; R60-D120 IonicContact NH2-OD1 3.66Å; R60-D120 PolarHBondContact NH2-OD1 3.17Å; R60-D120 VanDerWaalsContact NH2-OD1 3.12Å; R60-D120 IonicContact NH2-OD2 2.65Å; R60-D120 PolarHBondContact NH2-OD2 3.44Å | ||
| 61 | T | 78.6 | Confident | 76.3 | Confident | 8 Ų | 8 | 52 Ų | 52 | 5% | 0.049 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 124.3 | 172.4 | -58.7 | 0 | 0 | 0 | 0 | 109.1 | Q53 I63 A118 F119 | Q53-T61 HydrophobicContact CG-CG2 3.89Å; T61-I63 HydrophobicContact CG2-CG1 4.25Å; T61-A118 CarbonylContact O-C 3.55Å; T61-A118 WeakPolarHBondContact O-CA 3.47Å; T61-F119 PolarHBondContact N-O 2.92Å; T61-F119 VanDerWaalsContact N-O 3.14Å; T61-F119 PolarHBondContact O-N 2.83Å |
| 62 | V | 83.3 | Confident | 74.6 | Confident | 21 Ų | 21 | 53.6 Ų | 53.6 | 13% | 0.127 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 130.2 | 175.3 | -175.1 | 0 | 0 | 0 | 0 | 109 | Q53 S54 V117 A118 | Q53-V62 WeakPolarHBondContact CA-O 3.31Å; S54-V62 PolarHBondContact N-O 2.95Å; S54-V62 PolarHBondContact O-N 3.31Å; V62-V117 WeakPolarHBondContact CA-O 3.43Å; V62-A118 HydrophobicContact CG2-CB 4.17Å |
| 63 | I | 87.3 | Confident | 73.2 | Confident | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 128.6 | 179.5 | -56.7 | -179 | 0 | 0 | 0 | 108.3 | I50 Q53 T61 L65 S116 V117 F119 F128 | I50-I63 HydrophobicContact CB-CG2 4.39Å; I50-I63 HydrophobicContact CD1-CG2 3.92Å; I50-I63 HydrophobicContact CG1-CG2 3.76Å; I50-I63 HydrophobicContact CG2-CG2 3.88Å; Q53-I63 HydrophobicContact CG-CG1 4.47Å; T61-I63 HydrophobicContact CG2-CG1 4.25Å; I63-L65 HydrophobicContact CG2-CD2 4.29Å; I63-L65 HydrophobicContact CG2-CG 4.4Å; I63-S116 CarbonylContact O-C 3.58Å; I63-S116 WeakPolarHBondContact O-CA 3.42Å; I63-V117 PolarHBondContact N-O 2.91Å; I63-V117 PolarHBondContact O-N 2.82Å; I63-F119 HydrophobicContact CB-CE2 4.1Å; I63-F119 HydrophobicContact CD1-CD2 3.93Å; I63-F119 HydrophobicContact CD1-CE2 3.77Å; I63-F119 HydrophobicContact CG1-CD2 4.09Å; I63-F119 HydrophobicContact CG1-CE2 3.97Å; I63-F128 HydrophobicContact CD1-CD2 3.48Å; I63-F128 VanDerWaalsContact CD1-CD2 3.48Å; I63-F128 HydrophobicContact CD1-CE1 4.32Å; I63-F128 HydrophobicContact CD1-CE2 3.19Å; I63-F128 HydrophobicContact CD1-CG 4.16Å; I63-F128 HydrophobicContact CD1-CZ 3.65Å |
| 64 | V | 88.2 | Confident | 72.1 | Confident | 22 Ų | 22 | 59.4 Ų | 59.4 | 13% | 0.133 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 121.8 | 173.7 | -175.5 | 0 | 0 | 0 | 0 | 108.6 | G51 S52 E66 | G51-V64 PolarHBondContact N-O 3.48Å; S52-V64 PolarHBondContact N-O 3.45Å; S52-V64 PolarHBondContact O-N 3.38Å; S52-V64 WeakPolarHBondContact OG-CB 3.33Å; S52-V64 VanDerWaalsContact OG-CG2 3.27Å; S52-V64 WeakPolarHBondContact OG-CG2 3.42Å; V64-E66 HydrophobicContact CG1-CG 4.49Å |
| 65 | L | 88.9 | Confident | 71.7 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 132.3 | 178.9 | -65 | 167.3 | 0 | 0 | 0 | 110 | L48 Q49 I50 I63 I90 S114 I115 V117 L136 | L48-L65 HydrophobicContact CB-CB 4.08Å; L48-L65 HydrophobicContact CB-CD2 4.44Å; L48-L65 HydrophobicContact CD1-CB 3.88Å; L48-L65 HydrophobicContact CD1-CD1 4.15Å; Q49-L65 CarbonylContact O-C 3.57Å; Q49-L65 VanDerWaalsContact O-CA 3.32Å; Q49-L65 WeakPolarHBondContact O-CA 3.31Å; I50-L65 HydrophobicContact CG1-CD2 3.67Å; I63-L65 HydrophobicContact CG2-CD2 4.29Å; I63-L65 HydrophobicContact CG2-CG 4.4Å; L65-I90 HydrophobicContact CD1-CD1 4.06Å; L65-S114 CarbonylContact O-C 3.58Å; L65-S114 VanDerWaalsContact O-CA 3.24Å; L65-S114 WeakPolarHBondContact O-CA 3.06Å; L65-S114 WeakPolarHBondContact O-CB 3.49Å; L65-I115 HydrophobicContact CB-CG2 3.88Å; L65-I115 HydrophobicContact CD1-CG2 4.48Å; L65-I115 PolarHBondContact N-O 3.21Å; L65-I115 PolarHBondContact O-N 2.91Å; L65-V117 HydrophobicContact CD1-CG2 4.33Å; L65-L136 HydrophobicContact CD1-CD1 4.14Å |
| 66 | E | 89.1 | Confident | 71.7 | Confident | 47 Ų | 47 | 60.1 Ų | 60.1 | 22% | 0.22 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 152.1 | -175.1 | -65.1 | -179.2 | -175.9 | 0 | 0 | 111.1 | L48 Q49 V64 K69 | L48-E66 CarbonylContact C-O 3.57Å; L48-E66 WeakPolarHBondContact CA-O 3.41Å; Q49-E66 PolarHBondContact N-O 3.03Å; Q49-E66 PolarHBondContact O-N 3.21Å; V64-E66 HydrophobicContact CG1-CG 4.49Å; E66-K69 WeakPolarHBondContact OE2-CE 3.16Å; E66-K69 IonicContact OE2-NZ 3.73Å; E66-K69 PolarHBondContact OE2-NZ 2.74Å |
| 67 | P | 85.1 | Confident | 71.9 | Confident | 18 Ų | 18 | 62 Ų | 62 | 12% | 0.117 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 146.6 | 164.6 | -18.8 | 29.1 | 0 | 0 | 0 | 112 | K69 L76 A113 | P67-K69 PolarHBondContact O-N 2.86Å; P67-K69 VanDerWaalsContact O-N 3.13Å; P67-L76 HydrophobicContact CG-CD2 3.96Å; P67-L76 HydrophobicContact CG-CG 4.29Å; P67-A113 WeakPolarHBondContact CD-O 3.15Å |
| 68 | R | 76.9 | Confident | 72.2 | Confident | 116 Ų | 116 | 64.9 Ų | 64.9 | 44% | 0.438 | 35% | 0.35 | S | S | . | . | trans | -67.2 | 112.5 | 178.5 | -165.7 | -174.2 | -162.8 | -172.2 | 3.9 | 111.6 | H70 L71 L133 | R68-H70 PolarHBondContact O-N 3.39Å; R68-L71 HydrophobicContact CB-CD1 4.3Å; R68-L71 PolarHBondContact O-N 2.7Å; R68-L133 HydrophobicContact CG-CD2 4.45Å | ||
| 69 | K | 65.2 | Low | 72.8 | Confident | 151 Ų | 151 | 64 Ų | 64 | 66% | 0.657 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -54.5 | -29 | -171.6 | -66.9 | 171.3 | -178.5 | 163.8 | 0 | 115.3 | E66 P67 L71 | E66-K69 WeakPolarHBondContact OE2-CE 3.16Å; E66-K69 IonicContact OE2-NZ 3.73Å; E66-K69 PolarHBondContact OE2-NZ 2.74Å; P67-K69 PolarHBondContact O-N 2.86Å; P67-K69 VanDerWaalsContact O-N 3.13Å; K69-L71 PolarHBondContact O-N 3.12Å |
| 70 | H | 54.8 | Low | 73.1 | Confident | 185 Ų | 185 | 66.7 Ų | 66.7 | 86% | 0.856 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -80.4 | -2.2 | 178.7 | -78.3 | -69.7 | 0 | 0 | 0 | 115.9 | R68 | R68-H70 PolarHBondContact O-N 3.39Š|
| 71 | L | 53.9 | Low | 73 | Confident | 104 Ų | 104 | 63.8 Ų | 63.8 | 55% | 0.545 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -96.4 | 6.1 | 178.9 | -86 | 162.1 | 0 | 0 | 0 | 114.3 | R68 K69 F73 | R68-L71 HydrophobicContact CB-CD1 4.3Å; R68-L71 PolarHBondContact O-N 2.7Å; K69-L71 PolarHBondContact O-N 3.12Å; L71-F73 HydrophobicContact CB-CD2 4.08Å; L71-F73 VanDerWaalsContact O-CD2 3.25Å; L71-F73 WeakPolarHBondContact O-CD2 3.22Å; L71-F73 WeakPolarHBondContact O-CE2 3.33Å; L71-F73 PolarHBondContact O-N 3.45Å |
| 72 | G | 47.9 | Very low | 72.2 | Confident | 73 Ų | 73 | 64.3 Ų | 64.3 | 75% | 0.753 | 37% | 0.365 | S | S | * | . | S | Bend | trans | 78 | -3.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 73 | F | 53.1 | Low | 70.7 | Confident | 141 Ų | 141 | 66.6 Ų | 66.6 | 62% | 0.618 | 38% | 0.38 | S | S | * | . | trans | -91.1 | 110.6 | 174.3 | -60.3 | -79.3 | 0 | 0 | 0 | 110.4 | L71 S75 | L71-F73 HydrophobicContact CB-CD2 4.08Å; L71-F73 VanDerWaalsContact O-CD2 3.25Å; L71-F73 WeakPolarHBondContact O-CD2 3.22Å; L71-F73 WeakPolarHBondContact O-CE2 3.33Å; L71-F73 PolarHBondContact O-N 3.45Å; F73-S75 VanDerWaalsContact C-N 3.35Å | ||
| 74 | S | 59.8 | Low | 69.2 | Low | 108 Ų | 108 | 66.6 Ų | 66.6 | 76% | 0.755 | 38% | 0.38 | S | S | * | . | trans | -86.1 | -6.9 | 171.7 | 53.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 75 | S | 71.5 | Confident | 68.1 | Low | 58 Ų | 58 | 66.2 Ų | 66.2 | 41% | 0.406 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -129.3 | 150.3 | -177 | 62.4 | 0 | 0 | 0 | 0 | 112.6 | F73 Q112 | F73-S75 VanDerWaalsContact C-N 3.35Å; S75-Q112 CarbonylContact C-O 3.45Å; S75-Q112 WeakPolarHBondContact CA-O 3.17Å; S75-Q112 VanDerWaalsContact CB-O 3.3Å; S75-Q112 WeakPolarHBondContact CB-O 2.91Å |
| 76 | L | 77.4 | Confident | 67.6 | Low | 14 Ų | 14 | 67.3 Ų | 67.3 | 7% | 0.073 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 145 | 165.5 | -69.5 | 173.1 | 0 | 0 | 0 | 110 | L45 L48 P67 Q112 I115 | L45-L76 HydrophobicContact CD1-CD1 4.46Å; L45-L76 HydrophobicContact CD1-CD2 4.21Å; L45-L76 HydrophobicContact CD2-CD2 4.48Å; L48-L76 HydrophobicContact CD2-CD2 3.61Å; P67-L76 HydrophobicContact CG-CD2 3.96Å; P67-L76 HydrophobicContact CG-CG 4.29Å; L76-Q112 PolarHBondContact N-O 2.71Å; L76-I115 HydrophobicContact CD1-CB 4.13Å; L76-I115 HydrophobicContact CD1-CG2 4.39Å |
| 77 | P | 74.7 | Confident | 67.1 | Low | 51 Ų | 51 | 66.2 Ų | 66.2 | 33% | 0.331 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 156.4 | 170.6 | 26.3 | -32.1 | 0 | 0 | 0 | 111.3 | Q39 L45 N79 | Q39-P77 HydrophobicContact CG-CB 4.48Å; Q39-P77 HydrophobicContact CG-CG 4.04Å; L45-P77 HydrophobicContact CD2-CG 3.72Å; P77-N79 PolarHBondContact O-N 3.04Å; P77-N79 PolarHBondContact O-ND2 3.07Å |
| 78 | S | 72.1 | Confident | 67.1 | Low | 101 Ų | 101 | 65.3 Ų | 65.3 | 71% | 0.706 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -53.1 | 125.5 | 177.8 | 51.6 | 0 | 0 | 0 | 0 | 111.1 | ||
| 79 | N | 78.1 | Confident | 67.6 | Low | 52 Ų | 52 | 59.8 Ų | 59.8 | 28% | 0.278 | 36% | 0.356 | S | S | . | . | trans | -146.8 | 161.7 | -169.2 | 71.4 | 79.6 | 0 | 0 | 0 | 113.7 | G42 L45 P77 F81 | G42-N79 WeakPolarHBondContact O-CA 3.44Å; G42-N79 WeakPolarHBondContact O-CB 3.46Å; L45-N79 HydrophobicContact CD2-CB 4.11Å; P77-N79 PolarHBondContact O-N 3.04Å; P77-N79 PolarHBondContact O-ND2 3.07Å; N79-F81 HydrophobicContact CB-CD2 3.88Å; N79-F81 HydrophobicContact CB-CE2 4.33Å; N79-F81 WeakPolarHBondContact OD1-CD2 3.49Å; N79-F81 PolarHBondContact OD1-N 2.95Å | ||
| 80 | S | 72.3 | Confident | 68.6 | Low | 56 Ų | 56 | 52.7 Ų | 52.7 | 39% | 0.392 | 33% | 0.325 | S | S | . | . | trans | -111.1 | 21.9 | -175.5 | 68.6 | 0 | 0 | 0 | 0 | 112.7 | G42 K138 | G42-S80 PolarHBondContact O-N 3.36Å; G42-S80 PolarHBondContact O-OG 2.69Å; G42-S80 VanDerWaalsContact O-OG 3.12Å; S80-K138 PolarHBondContact O-NZ 2.72Å | ||
| 81 | F | 74.7 | Confident | 70.1 | Confident | 11 Ų | 11 | 44.1 Ų | 44.1 | 5% | 0.048 | 29% | 0.285 | C | S | . | . | trans | -74.5 | 131.5 | 170.5 | -64.4 | -103.3 | 0 | 0 | 0 | 107.8 | G42 V43 L45 N79 D86 V88 V107 I110 I115 L136 K138 | G42-F81 WeakPolarHBondContact O-CE2 3.44Å; V43-F81 VanDerWaalsContact O-CZ 3.24Å; V43-F81 WeakPolarHBondContact O-CZ 3.42Å; L45-F81 HydrophobicContact CD1-CD2 4.25Å; L45-F81 HydrophobicContact CD1-CE2 4.04Å; L45-F81 HydrophobicContact CD1-CZ 4.47Å; L45-F81 HydrophobicContact CG-CD2 4.35Å; L45-F81 HydrophobicContact CG-CE2 3.74Å; L45-F81 HydrophobicContact CG-CZ 4.24Å; N79-F81 HydrophobicContact CB-CD2 3.88Å; N79-F81 HydrophobicContact CB-CE2 4.33Å; N79-F81 WeakPolarHBondContact OD1-CD2 3.49Å; N79-F81 PolarHBondContact OD1-N 2.95Å; F81-D86 WeakPolarHBondContact CA-OD2 3.34Å; F81-V88 HydrophobicContact CD1-CG1 3.67Å; F81-V88 HydrophobicContact CE1-CG1 3.55Å; F81-V107 HydrophobicContact CD1-CG2 4.48Å; F81-I110 VanDerWaalsContact C-CD1 3.49Å; F81-I110 HydrophobicContact CB-CD1 3.41Å; F81-I110 VanDerWaalsContact CB-CD1 3.41Å; F81-I110 WeakPolarHBondContact O-CD1 3.4Å; F81-I115 HydrophobicContact CB-CD1 4.29Å; F81-I115 HydrophobicContact CD1-CD1 4.31Å; F81-I115 HydrophobicContact CG-CD1 4.29Å; F81-L136 HydrophobicContact CE1-CD2 4.13Å; F81-L136 HydrophobicContact CE1-CG 4.36Å; F81-K138 HydrophobicContact CD1-CB 4.23Å; F81-K138 HydrophobicContact CE1-CB 3.77Å; F81-K138 HydrophobicContact CZ-CB 4.17Å | ||
| 82 | G | 62.8 | Low | 71.4 | Confident | 20 Ų | 20 | 42.2 Ų | 42.2 | 21% | 0.206 | 28% | 0.275 | C | S | . | . | trans | -70.8 | 141.6 | 176 | 0 | 0 | 0 | 0 | 0 | 110.5 | A84 D86 I110 | G82-A84 PolarHBondContact O-N 3.22Å; G82-D86 PolarHBondContact N-OD2 2.93Å; G82-I110 VanDerWaalsContact O-CD1 3.27Å; G82-I110 WeakPolarHBondContact O-CD1 3.48Å | ||
| 83 | P | 50.3 | Low | 72.7 | Confident | 69 Ų | 69 | 41.8 Ų | 41.8 | 45% | 0.448 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -62.4 | -11.5 | -172.9 | 25.2 | -35.3 | 0 | 0 | 0 | 114.6 | R109 A269 | P83-R109 VanDerWaalsContact O-CA 3.28Å; P83-R109 WeakPolarHBondContact O-CA 3.48Å; P83-A269 WeakPolarHBondContact CB-O 3.37Å; P83-A269 WeakPolarHBondContact O-CB 3.46Å |
| 84 | A | 56.5 | Low | 73.3 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -149.3 | 172.5 | 149.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | G82 D86 V107 H267 A269 R270 | G82-A84 PolarHBondContact O-N 3.22Å; A84-D86 VanDerWaalsContact C-N 3.32Å; A84-D86 PolarHBondContact O-N 2.9Å; A84-V107 CarbonylContact C-O 3.57Å; A84-V107 VanDerWaalsContact CA-O 3.28Å; A84-V107 WeakPolarHBondContact CA-O 3.42Å; A84-H267 HydrophobicContact CB-CB 3.82Å; A84-A269 HydrophobicContact CB-CB 4.28Å; A84-R270 VanDerWaalsContact C-NE 3.33Å; A84-R270 HydrophobicContact CB-CG 3.9Å; A84-R270 PolarHBondContact O-NE 3.35Å; A84-R270 PolarHBondContact O-NH2 3.46Å |
| 85 | G | 65.9 | Low | 73.7 | Confident | 14 Ų | 14 | 35.3 Ų | 35.3 | 14% | 0.144 | 23% | 0.234 | C | C | . | . | trans | 71.3 | 8.7 | 161.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | V107 R270 | G85-V107 PolarHBondContact N-O 3.34Å; G85-R270 PolarHBondContact O-NH2 3.47Å; G85-R270 VanDerWaalsContact O-NH2 3.11Å | ||
| 86 | D | 76.9 | Confident | 73.1 | Confident | 25 Ų | 25 | 33.3 Ų | 33.3 | 13% | 0.134 | 22% | 0.219 | C | C | . | . | trans | -71.1 | 140.2 | 162.2 | -79.3 | -5.3 | 0 | 0 | 0 | 109.3 | F81 G82 A84 V107 K138 | F81-D86 WeakPolarHBondContact CA-OD2 3.34Å; G82-D86 PolarHBondContact N-OD2 2.93Å; A84-D86 VanDerWaalsContact C-N 3.32Å; A84-D86 PolarHBondContact O-N 2.9Å; D86-V107 HydrophobicContact CB-CG2 4.21Å; D86-V107 PolarHBondContact O-N 3.16Å; D86-K138 IonicContact OD1-NZ 3.16Å; D86-K138 VanDerWaalsContact OD2-CE 3.23Å; D86-K138 WeakPolarHBondContact OD2-CE 3.48Å; D86-K138 IonicContact OD2-NZ 2.65Å; D86-K138 PolarHBondContact OD2-NZ 3.48Å | ||
| 87 | I | 79.2 | Confident | 72.4 | Confident | 23 Ų | 23 | 35.6 Ų | 35.6 | 12% | 0.118 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 131.7 | 170 | -56.5 | -169.4 | 0 | 0 | 0 | 107.9 | L139 N141 V143 | I87-L139 HydrophobicContact CG2-CB 4.21Å; I87-L139 HydrophobicContact CG2-CD1 4.42Å; I87-L139 PolarHBondContact O-N 3.23Å; I87-N141 VanDerWaalsContact CD1-OD1 3.31Å; I87-N141 WeakPolarHBondContact CD1-OD1 3.46Å; I87-V143 HydrophobicContact CD1-CB 4.19Å; I87-V143 HydrophobicContact CD1-CG2 3.67Å |
| 88 | V | 85.1 | Confident | 71.8 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 139.2 | -178.8 | -67.7 | 0 | 0 | 0 | 0 | 110.5 | F81 T104 G105 V107 V117 L136 L137 | F81-V88 HydrophobicContact CD1-CG1 3.67Å; F81-V88 HydrophobicContact CE1-CG1 3.55Å; V88-T104 WeakPolarHBondContact O-CA 3.14Å; V88-G105 PolarHBondContact N-O 3.39Å; V88-G105 PolarHBondContact O-N 3.39Å; V88-V107 HydrophobicContact CB-CG2 4.37Å; V88-V107 HydrophobicContact CG1-CG2 3.52Å; V88-V107 HydrophobicContact CG2-CG2 3.87Å; V88-V117 HydrophobicContact CG2-CB 4.46Å; V88-V117 HydrophobicContact CG2-CG1 3.54Å; V88-V117 HydrophobicContact CG2-CG2 3.99Å; V88-L136 HydrophobicContact CB-CD1 3.83Å; V88-L136 HydrophobicContact CB-CD2 4.42Å; V88-L136 HydrophobicContact CB-CG 4.01Å; V88-L136 HydrophobicContact CG1-CD2 4.36Å; V88-L136 HydrophobicContact CG1-CG 4.32Å; V88-L136 HydrophobicContact CG2-CD1 3.81Å; V88-L136 HydrophobicContact CG2-CG 4.37Å; V88-L137 CarbonylContact C-O 3.59Å; V88-L137 VanDerWaalsContact CA-O 3.27Å; V88-L137 WeakPolarHBondContact CA-O 3.35Å |
| 89 | G | 86.6 | Confident | 71.1 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 134.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | Y91 C103 L136 L137 | G89-Y91 VanDerWaalsContact C-CE2 3.47Å; G89-Y91 VanDerWaalsContact O-CD2 3.31Å; G89-Y91 WeakPolarHBondContact O-CD2 3.44Å; G89-Y91 WeakPolarHBondContact O-CE2 3.23Å; G89-C103 WeakPolarHBondContact CA-O 3.37Å; G89-L136 WeakPolarHBondContact O-CA 3.48Å; G89-L137 PolarHBondContact N-O 2.87Å; G89-L137 PolarHBondContact O-N 2.93Å |
| 90 | I | 86.8 | Confident | 70.8 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 132.7 | 162.4 | -67.3 | -174.3 | 0 | 0 | 0 | 108 | L65 I102 C103 F119 F128 Y134 N135 L136 | L65-I90 HydrophobicContact CD1-CD1 4.06Å; I90-I102 HydrophobicContact CG2-CB 4.43Å; I90-I102 HydrophobicContact CG2-CD1 4.24Å; I90-I102 PolarHBondContact O-N 3.19Å; I90-C103 PolarHBondContact N-O 3.01Å; I90-F119 HydrophobicContact CD1-CE1 4.18Å; I90-F119 HydrophobicContact CD1-CE2 4.26Å; I90-F119 HydrophobicContact CD1-CZ 3.45Å; I90-F119 VanDerWaalsContact CD1-CZ 3.45Å; I90-F119 HydrophobicContact CG1-CZ 4.16Å; I90-F128 HydrophobicContact CD1-CE1 4.04Å; I90-F128 HydrophobicContact CD1-CZ 4.44Å; I90-F128 HydrophobicContact CG2-CE1 4.27Å; I90-Y134 HydrophobicContact CG2-CD1 3.79Å; I90-Y134 HydrophobicContact CG2-CG 4.11Å; I90-N135 WeakPolarHBondContact CA-O 3.45Å; I90-L136 HydrophobicContact CD1-CD1 4.47Å; I90-L136 HydrophobicContact CG1-CD1 3.6Å |
| 91 | Y | 85.8 | Confident | 71.1 | Confident | 5 Ų | 5 | 36.2 Ų | 36.2 | 2% | 0.02 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 154.6 | -179.9 | -58.8 | -100.5 | 0 | 0 | 0 | 110.8 | G89 G95 C96 S97 S100 Q101 N135 L137 | G89-Y91 VanDerWaalsContact C-CE2 3.47Å; G89-Y91 VanDerWaalsContact O-CD2 3.31Å; G89-Y91 WeakPolarHBondContact O-CD2 3.44Å; G89-Y91 WeakPolarHBondContact O-CE2 3.23Å; Y91-G95 WeakPolarHBondContact CB-O 3.15Å; Y91-C96 HydrophobicContact CD1-CB 4.23Å; Y91-C96 HydrophobicContact CD2-CB 4.36Å; Y91-C96 HydrophobicContact CG-CB 4.13Å; Y91-S97 WeakPolarHBondContact CD1-O 3.22Å; Y91-S97 VanDerWaalsContact CE1-O 3.24Å; Y91-S97 WeakPolarHBondContact CE1-O 3.3Å; Y91-S100 WeakPolarHBondContact CA-O 3.42Å; Y91-Q101 HydrophobicContact CD1-CB 3.84Å; Y91-Q101 HydrophobicContact CD1-CG 4.26Å; Y91-Q101 HydrophobicContact CE1-CB 3.48Å; Y91-Q101 VanDerWaalsContact CE1-CB 3.48Å; Y91-Q101 HydrophobicContact CE1-CG 3.75Å; Y91-Q101 HydrophobicContact CE2-CG 4.48Å; Y91-Q101 PolarHBondContact OH-OE1 3.1Å; Y91-N135 PolarHBondContact N-O 3.14Å; Y91-N135 PolarHBondContact O-N 2.79Å; Y91-L137 HydrophobicContact CD2-CB 4.13Å; Y91-L137 HydrophobicContact CE2-CB 3.68Å; Y91-L137 HydrophobicContact CE2-CD2 4.29Å |
| 92 | D | 81.9 | Confident | 71.3 | Confident | 65 Ų | 65 | 38.7 Ų | 38.7 | 35% | 0.348 | 26% | 0.264 | S | S | . | . | trans | -68.2 | 149.9 | 170.8 | -176.7 | 77 | 0 | 0 | 0 | 111.8 | S94 G95 S100 I102 N135 | D92-S94 PolarHBondContact O-N 3.44Å; D92-S94 WeakPolarHBondContact OD2-CB 3.26Å; D92-S94 PolarHBondContact OD2-N 3.34Å; D92-S94 PolarHBondContact OD2-OG 3.24Å; D92-G95 PolarHBondContact O-N 2.96Å; D92-S100 PolarHBondContact N-O 3.12Å; D92-I102 HydrophobicContact CB-CD1 4.39Å; D92-N135 PolarHBondContact O-ND2 2.8Å | ||
| 93 | P | 74.3 | Confident | 72.2 | Confident | 63 Ų | 63 | 38.8 Ų | 38.8 | 41% | 0.409 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -22.2 | 175.9 | 14.4 | -33.1 | 0 | 0 | 0 | 115.5 | G95 L133 N135 | P93-G95 VanDerWaalsContact C-N 3.26Å; P93-G95 PolarHBondContact O-N 3.16Å; P93-L133 HydrophobicContact CB-CB 4.4Å; P93-L133 WeakPolarHBondContact CD-O 3.46Å; P93-L133 HydrophobicContact CG-CB 4.23Å; P93-N135 WeakPolarHBondContact CA-ND2 3.3Å |
| 94 | S | 66.9 | Low | 73.7 | Confident | 98 Ų | 98 | 39.5 Ų | 39.5 | 69% | 0.685 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -22.3 | 177.1 | 55 | 0 | 0 | 0 | 0 | 114.8 | D92 | D92-S94 PolarHBondContact O-N 3.44Å; D92-S94 WeakPolarHBondContact OD2-CB 3.26Å; D92-S94 PolarHBondContact OD2-N 3.34Å; D92-S94 PolarHBondContact OD2-OG 3.24Å |
| 95 | G | 67.1 | Low | 74.8 | Confident | 15 Ų | 15 | 39.7 Ų | 39.7 | 16% | 0.155 | 27% | 0.266 | C | S | . | . | trans | 165.3 | 173.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y91 D92 P93 S100 | Y91-G95 WeakPolarHBondContact CB-O 3.15Å; D92-G95 PolarHBondContact O-N 2.96Å; P93-G95 VanDerWaalsContact C-N 3.26Å; P93-G95 PolarHBondContact O-N 3.16Å; G95-S100 VanDerWaalsContact C-OG 3.25Å; G95-S100 PolarHBondContact O-OG 2.86Å | ||
| 96 | C | 59.6 | Low | 75.5 | Confident | 16 Ų | 16 | 41.6 Ų | 41.6 | 11% | 0.108 | 27% | 0.273 | C | S | . | . | trans | -112.4 | 48.3 | 176.9 | -56.7 | 0 | 0 | 0 | 0 | 112.3 | L35 Y91 N135 L137 | L35-C96 HydrophobicContact CD2-CB 3.86Å; Y91-C96 HydrophobicContact CD1-CB 4.23Å; Y91-C96 HydrophobicContact CD2-CB 4.36Å; Y91-C96 HydrophobicContact CG-CB 4.13Å; C96-N135 VanDerWaalsContact SG-CB 3.58Å; C96-L137 HydrophobicContact CB-CD2 4.18Å | ||
| 97 | S | 63.6 | Low | 75.7 | Confident | 63 Ų | 63 | 40.4 Ų | 40.4 | 44% | 0.441 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -96 | 161.5 | 176.8 | 74.5 | 0 | 0 | 0 | 0 | 110.9 | Y91 A99 S100 Q101 | Y91-S97 WeakPolarHBondContact CD1-O 3.22Å; Y91-S97 VanDerWaalsContact CE1-O 3.24Å; Y91-S97 WeakPolarHBondContact CE1-O 3.3Å; S97-A99 PolarHBondContact O-N 3.38Å; S97-S100 PolarHBondContact N-OG 2.95Å; S97-S100 VanDerWaalsContact N-OG 3.08Å; S97-S100 PolarHBondContact O-N 3.36Å; S97-S100 PolarHBondContact O-OG 3.04Å; S97-Q101 PolarHBondContact O-N 3.37Å |
| 98 | A | 61.2 | Low | 75.4 | Confident | 88 Ų | 88 | 40 Ų | 40 | 73% | 0.727 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -24.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 99 | A | 58.2 | Low | 74.8 | Confident | 100 Ų | 100 | 47.7 Ų | 47.7 | 83% | 0.826 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -21.6 | 177 | 0 | 0 | 0 | 0 | 0 | 114.1 | S97 | S97-A99 PolarHBondContact O-N 3.38Š|
| 100 | S | 70.9 | Confident | 74.3 | Confident | 20 Ų | 20 | 49.5 Ų | 49.5 | 14% | 0.14 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -98.4 | 8.3 | 174.7 | 63.4 | 0 | 0 | 0 | 0 | 113.1 | Y91 D92 G95 S97 I102 | Y91-S100 WeakPolarHBondContact CA-O 3.42Å; D92-S100 PolarHBondContact N-O 3.12Å; G95-S100 VanDerWaalsContact C-OG 3.25Å; G95-S100 PolarHBondContact O-OG 2.86Å; S97-S100 PolarHBondContact N-OG 2.95Å; S97-S100 VanDerWaalsContact N-OG 3.08Å; S97-S100 PolarHBondContact O-N 3.36Å; S97-S100 PolarHBondContact O-OG 3.04Å; S100-I102 PolarHBondContact O-N 3.41Å |
| 101 | Q | 79.2 | Confident | 73.8 | Confident | 65 Ų | 65 | 51.5 Ų | 51.5 | 30% | 0.304 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 114.9 | 178.5 | -167.7 | 169 | 1.1 | 0 | 0 | 110.9 | Y91 S97 | Y91-Q101 HydrophobicContact CD1-CB 3.84Å; Y91-Q101 HydrophobicContact CD1-CG 4.26Å; Y91-Q101 HydrophobicContact CE1-CB 3.48Å; Y91-Q101 VanDerWaalsContact CE1-CB 3.48Å; Y91-Q101 HydrophobicContact CE1-CG 3.75Å; Y91-Q101 HydrophobicContact CE2-CG 4.48Å; Y91-Q101 PolarHBondContact OH-OE1 3.1Å; S97-Q101 PolarHBondContact O-N 3.37Å |
| 102 | I | 79.6 | Confident | 73.3 | Confident | 63 Ų | 63 | 59.4 Ų | 59.4 | 32% | 0.323 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | -47.1 | -179.2 | -57.3 | 179.7 | 0 | 0 | 0 | 110.1 | I90 D92 S100 A126 F128 Y134 | I90-I102 HydrophobicContact CG2-CB 4.43Å; I90-I102 HydrophobicContact CG2-CD1 4.24Å; I90-I102 PolarHBondContact O-N 3.19Å; D92-I102 HydrophobicContact CB-CD1 4.39Å; S100-I102 PolarHBondContact O-N 3.41Å; I102-A126 HydrophobicContact CG2-CB 4.43Å; I102-F128 HydrophobicContact CG2-CE1 4.29Å; I102-Y134 HydrophobicContact CD1-CD1 3.74Å; I102-Y134 HydrophobicContact CD1-CE1 3.57Å |
| 103 | C | 80.9 | Confident | 73.3 | Confident | 22 Ų | 22 | 58.5 Ų | 58.5 | 15% | 0.149 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.2 | 168.7 | -179.4 | 57 | 0 | 0 | 0 | 0 | 111.9 | G89 I90 F119 | G89-C103 WeakPolarHBondContact CA-O 3.37Å; I90-C103 PolarHBondContact N-O 3.01Å; C103-F119 HydrophobicContact CB-CD1 4.36Å; C103-F119 HydrophobicContact CB-CE1 4.33Å; C103-F119 WeakPolarHBondContact SG-CE1 3.45Å |
| 104 | T | 81.8 | Confident | 73.9 | Confident | 84 Ų | 84 | 56.6 Ų | 56.6 | 52% | 0.515 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 140.8 | 166.2 | 47.4 | 0 | 0 | 0 | 0 | 110.3 | V88 F119 L139 | V88-T104 WeakPolarHBondContact O-CA 3.14Å; T104-F119 VanDerWaalsContact O-CD1 3.25Å; T104-F119 WeakPolarHBondContact O-CD1 3.44Å; T104-L139 HydrophobicContact CG2-CD1 3.92Å |
| 105 | G | 80 | Confident | 74.8 | Confident | 4 Ų | 4 | 52 Ų | 52 | 4% | 0.041 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 174 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V88 A118 F119 | V88-G105 PolarHBondContact N-O 3.39Å; V88-G105 PolarHBondContact O-N 3.39Å; G105-A118 CarbonylContact C-O 3.57Å; G105-A118 VanDerWaalsContact CA-O 3.29Å; G105-A118 WeakPolarHBondContact CA-O 3.37Å; G105-F119 VanDerWaalsContact CA-CE1 3.47Å |
| 106 | I | 79.6 | Confident | 75.8 | Confident | 54 Ų | 54 | 51.8 Ų | 51.8 | 28% | 0.277 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 123.1 | 179.6 | -57.5 | 176 | 0 | 0 | 0 | 107.5 | T108 V117 A118 | I106-T108 PolarHBondContact O-N 3.18Å; I106-V117 CarbonylContact O-C 3.5Å; I106-V117 WeakPolarHBondContact O-CA 3.27Å; I106-A118 PolarHBondContact N-O 2.87Å; I106-A118 PolarHBondContact O-N 3.14Å |
| 107 | V | 80.9 | Confident | 77.1 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 128.4 | 176.1 | 179.5 | 0 | 0 | 0 | 0 | 109.2 | F81 A84 G85 D86 V88 I110 I115 S116 | F81-V107 HydrophobicContact CD1-CG2 4.48Å; A84-V107 CarbonylContact C-O 3.57Å; A84-V107 VanDerWaalsContact CA-O 3.28Å; A84-V107 WeakPolarHBondContact CA-O 3.42Å; G85-V107 PolarHBondContact N-O 3.34Å; D86-V107 HydrophobicContact CB-CG2 4.21Å; D86-V107 PolarHBondContact O-N 3.16Å; V88-V107 HydrophobicContact CB-CG2 4.37Å; V88-V107 HydrophobicContact CG1-CG2 3.52Å; V88-V107 HydrophobicContact CG2-CG2 3.87Å; V107-I110 HydrophobicContact CG1-CD1 4.06Å; V107-I110 HydrophobicContact CG1-CG1 3.7Å; V107-I115 HydrophobicContact CG1-CD1 4.08Å; V107-I115 HydrophobicContact CG1-CG1 4.07Å; V107-I115 HydrophobicContact CG2-CD1 4.1Å; V107-S116 CarbonylContact C-O 3.56Å; V107-S116 WeakPolarHBondContact CA-O 3.44Å |
| 108 | T | 73.4 | Confident | 78 | Confident | 14 Ų | 14 | 48.3 Ų | 48.3 | 9% | 0.086 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | -30.7 | 177.6 | 49.9 | 0 | 0 | 0 | 0 | 112.8 | I106 S116 A118 H267 A269 | I106-T108 PolarHBondContact O-N 3.18Å; T108-S116 PolarHBondContact N-O 2.95Å; T108-S116 VanDerWaalsContact OG1-CB 3.24Å; T108-S116 WeakPolarHBondContact OG1-CB 3.4Å; T108-S116 PolarHBondContact OG1-O 3.2Å; T108-A118 HydrophobicContact CG2-CB 3.4Å; T108-H267 WeakPolarHBondContact CB-NE2 3.37Å; T108-H267 WeakPolarHBondContact CG2-NE2 3.34Å; T108-H267 PolarHBondContact O-CE1 3.04Å; T108-H267 PolarHBondContact O-ND1 3.06Å; T108-A269 WeakPolarHBondContact O-CB 3.48Å |
| 109 | R | 73.5 | Confident | 78.9 | Confident | 162 Ų | 162 | 44.3 Ų | 44.3 | 61% | 0.611 | 25% | 0.25 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -155 | 144.5 | 179.4 | -171.4 | 178.1 | -179.2 | -179.2 | 1.8 | 109.9 | P83 S116 A269 | P83-R109 VanDerWaalsContact O-CA 3.28Å; P83-R109 WeakPolarHBondContact O-CA 3.48Å; R109-S116 PolarHBondContact N-O 3.18Å; R109-S116 PolarHBondContact O-N 3.37Å; R109-A269 HydrophobicContact CB-CB 4.39Å; R109-A269 HydrophobicContact CG-CB 4.42Å |
| 110 | I | 75.5 | Confident | 79.2 | Confident | 38 Ų | 38 | 44.6 Ų | 44.6 | 20% | 0.195 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 137.7 | 167 | -56.7 | 177.5 | 0 | 0 | 0 | 108 | F81 G82 V107 I115 | F81-I110 VanDerWaalsContact C-CD1 3.49Å; F81-I110 HydrophobicContact CB-CD1 3.41Å; F81-I110 VanDerWaalsContact CB-CD1 3.41Å; F81-I110 WeakPolarHBondContact O-CD1 3.4Å; G82-I110 VanDerWaalsContact O-CD1 3.27Å; G82-I110 WeakPolarHBondContact O-CD1 3.48Å; V107-I110 HydrophobicContact CG1-CD1 4.06Å; V107-I110 HydrophobicContact CG1-CG1 3.7Å; I110-I115 HydrophobicContact CD1-CD1 4.05Å; I110-I115 HydrophobicContact CG1-CD1 3.88Å; I110-I115 HydrophobicContact CG1-CG1 4.01Å |
| 111 | S | 75.8 | Confident | 78.6 | Confident | 43 Ų | 43 | 47.1 Ų | 47.1 | 30% | 0.301 | 25% | 0.25 | S | S | . | . | trans | -124.6 | 173.9 | 165.7 | 78.3 | 0 | 0 | 0 | 0 | 109.2 | A113 S114 | S111-A113 PolarHBondContact O-N 2.76Å; S111-A113 PolarHBondContact OG-N 3.22Å; S111-A113 VanDerWaalsContact OG-N 3.16Å; S111-S114 PolarHBondContact N-O 3.45Å; S111-S114 PolarHBondContact OG-N 2.9Å; S111-S114 PolarHBondContact OG-O 3.13Å; S111-S114 PolarHBondContact OG-OG 3.5Å | ||
| 112 | Q | 74.9 | Confident | 77.5 | Confident | 171 Ų | 171 | 46.6 Ų | 46.6 | 80% | 0.799 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -64.4 | -20.9 | 172.7 | -70.3 | -178.7 | -13.3 | 0 | 0 | 113 | S75 L76 | S75-Q112 CarbonylContact C-O 3.45Å; S75-Q112 WeakPolarHBondContact CA-O 3.17Å; S75-Q112 VanDerWaalsContact CB-O 3.3Å; S75-Q112 WeakPolarHBondContact CB-O 2.91Å; L76-Q112 PolarHBondContact N-O 2.71Å |
| 113 | A | 81.8 | Confident | 75.9 | Confident | 46 Ų | 46 | 52.7 Ų | 52.7 | 38% | 0.38 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -111.6 | -13 | -175 | 0 | 0 | 0 | 0 | 0 | 114.4 | P67 S111 | P67-A113 WeakPolarHBondContact CD-O 3.15Å; S111-A113 PolarHBondContact O-N 2.76Å; S111-A113 PolarHBondContact OG-N 3.22Å; S111-A113 VanDerWaalsContact OG-N 3.16Å |
| 114 | S | 87.1 | Confident | 73.9 | Confident | 23 Ų | 23 | 58.9 Ų | 58.9 | 16% | 0.161 | 31% | 0.305 | C | S | . | . | trans | -158.8 | 153.2 | -172.6 | 66.7 | 0 | 0 | 0 | 0 | 113.5 | L65 S111 | L65-S114 CarbonylContact O-C 3.58Å; L65-S114 VanDerWaalsContact O-CA 3.24Å; L65-S114 WeakPolarHBondContact O-CA 3.06Å; L65-S114 WeakPolarHBondContact O-CB 3.49Å; S111-S114 PolarHBondContact N-O 3.45Å; S111-S114 PolarHBondContact OG-N 2.9Å; S111-S114 PolarHBondContact OG-O 3.13Å; S111-S114 PolarHBondContact OG-OG 3.5Å | ||
| 115 | I | 87.3 | Confident | 72.1 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 126.4 | 173.6 | -176.8 | 157.2 | 0 | 0 | 0 | 109.7 | L45 L48 L65 L76 F81 V107 I110 V117 L136 | L45-I115 HydrophobicContact CD1-CD1 4.14Å; L45-I115 HydrophobicContact CD1-CG2 4.14Å; L48-I115 HydrophobicContact CD1-CG2 3.9Å; L65-I115 HydrophobicContact CB-CG2 3.88Å; L65-I115 HydrophobicContact CD1-CG2 4.48Å; L65-I115 PolarHBondContact N-O 3.21Å; L65-I115 PolarHBondContact O-N 2.91Å; L76-I115 HydrophobicContact CD1-CB 4.13Å; L76-I115 HydrophobicContact CD1-CG2 4.39Å; F81-I115 HydrophobicContact CB-CD1 4.29Å; F81-I115 HydrophobicContact CD1-CD1 4.31Å; F81-I115 HydrophobicContact CG-CD1 4.29Å; V107-I115 HydrophobicContact CG1-CD1 4.08Å; V107-I115 HydrophobicContact CG1-CG1 4.07Å; V107-I115 HydrophobicContact CG2-CD1 4.1Å; I110-I115 HydrophobicContact CD1-CD1 4.05Å; I110-I115 HydrophobicContact CG1-CD1 3.88Å; I110-I115 HydrophobicContact CG1-CG1 4.01Å; I115-V117 HydrophobicContact CG1-CG2 4.41Å; I115-L136 HydrophobicContact CD1-CD2 3.67Å; I115-L136 HydrophobicContact CG1-CD2 4.23Å; I115-L136 HydrophobicContact CG2-CD2 4.01Å |
| 116 | S | 86.9 | Confident | 70.6 | Confident | 12 Ų | 12 | 59.5 Ų | 59.5 | 8% | 0.084 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 134 | 179 | -51.3 | 0 | 0 | 0 | 0 | 109.8 | I63 V107 T108 R109 | I63-S116 CarbonylContact O-C 3.58Å; I63-S116 WeakPolarHBondContact O-CA 3.42Å; V107-S116 CarbonylContact C-O 3.56Å; V107-S116 WeakPolarHBondContact CA-O 3.44Å; T108-S116 PolarHBondContact N-O 2.95Å; T108-S116 VanDerWaalsContact OG1-CB 3.24Å; T108-S116 WeakPolarHBondContact OG1-CB 3.4Å; T108-S116 PolarHBondContact OG1-O 3.2Å; R109-S116 PolarHBondContact N-O 3.18Å; R109-S116 PolarHBondContact O-N 3.37Å |
| 117 | V | 86.7 | Confident | 69.6 | Low | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 130.5 | -178.7 | -171.4 | 0 | 0 | 0 | 0 | 109.5 | V62 I63 L65 V88 I106 I115 F119 L136 | V62-V117 WeakPolarHBondContact CA-O 3.43Å; I63-V117 PolarHBondContact N-O 2.91Å; I63-V117 PolarHBondContact O-N 2.82Å; L65-V117 HydrophobicContact CD1-CG2 4.33Å; V88-V117 HydrophobicContact CG2-CB 4.46Å; V88-V117 HydrophobicContact CG2-CG1 3.54Å; V88-V117 HydrophobicContact CG2-CG2 3.99Å; I106-V117 CarbonylContact O-C 3.5Å; I106-V117 WeakPolarHBondContact O-CA 3.27Å; I115-V117 HydrophobicContact CG1-CG2 4.41Å; V117-F119 HydrophobicContact CB-CE2 3.8Å; V117-F119 HydrophobicContact CB-CZ 3.83Å; V117-F119 HydrophobicContact CG1-CE1 4.07Å; V117-F119 HydrophobicContact CG1-CE2 3.7Å; V117-F119 HydrophobicContact CG1-CZ 3.36Å; V117-F119 WeakPolarHBondContact O-CE2 3.35Å; V117-L136 HydrophobicContact CG2-CD1 4.32Å; V117-L136 HydrophobicContact CG2-CD2 4.41Å |
| 118 | A | 81.9 | Confident | 68.9 | Low | 6 Ų | 6 | 63.7 Ų | 63.7 | 5% | 0.05 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 142.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T61 V62 G105 I106 T108 | T61-A118 CarbonylContact O-C 3.55Å; T61-A118 WeakPolarHBondContact O-CA 3.47Å; V62-A118 HydrophobicContact CG2-CB 4.17Å; G105-A118 CarbonylContact C-O 3.57Å; G105-A118 VanDerWaalsContact CA-O 3.29Å; G105-A118 WeakPolarHBondContact CA-O 3.37Å; I106-A118 PolarHBondContact N-O 2.87Å; I106-A118 PolarHBondContact O-N 3.14Å; T108-A118 HydrophobicContact CG2-CB 3.4Å |
| 119 | F | 80.8 | Confident | 68.6 | Low | 3 Ų | 3 | 67.9 Ų | 67.9 | 1% | 0.013 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 125.9 | 179.4 | -59.5 | -85.5 | 0 | 0 | 0 | 109.6 | R60 T61 I63 I90 C103 T104 G105 V117 D121 L122 | R60-F119 WeakPolarHBondContact CB-O 3.03Å; T61-F119 PolarHBondContact N-O 2.92Å; T61-F119 VanDerWaalsContact N-O 3.14Å; T61-F119 PolarHBondContact O-N 2.83Å; I63-F119 HydrophobicContact CB-CE2 4.1Å; I63-F119 HydrophobicContact CD1-CD2 3.93Å; I63-F119 HydrophobicContact CD1-CE2 3.77Å; I63-F119 HydrophobicContact CG1-CD2 4.09Å; I63-F119 HydrophobicContact CG1-CE2 3.97Å; I90-F119 HydrophobicContact CD1-CE1 4.18Å; I90-F119 HydrophobicContact CD1-CE2 4.26Å; I90-F119 HydrophobicContact CD1-CZ 3.45Å; I90-F119 VanDerWaalsContact CD1-CZ 3.45Å; I90-F119 HydrophobicContact CG1-CZ 4.16Å; C103-F119 HydrophobicContact CB-CD1 4.36Å; C103-F119 HydrophobicContact CB-CE1 4.33Å; C103-F119 WeakPolarHBondContact SG-CE1 3.45Å; T104-F119 VanDerWaalsContact O-CD1 3.25Å; T104-F119 WeakPolarHBondContact O-CD1 3.44Å; G105-F119 VanDerWaalsContact CA-CE1 3.47Å; V117-F119 HydrophobicContact CB-CE2 3.8Å; V117-F119 HydrophobicContact CB-CZ 3.83Å; V117-F119 HydrophobicContact CG1-CE1 4.07Å; V117-F119 HydrophobicContact CG1-CE2 3.7Å; V117-F119 HydrophobicContact CG1-CZ 3.36Å; V117-F119 WeakPolarHBondContact O-CE2 3.35Å; F119-D121 PolarHBondContact O-N 3.25Å; F119-L122 HydrophobicContact CB-CD2 4.27Å; F119-L122 HydrophobicContact CG-CD2 4.35Å |
| 120 | D | 64.3 | Low | 68.2 | Low | 106 Ų | 106 | 63.1 Ų | 63.1 | 57% | 0.567 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -70.2 | 114 | 162.3 | -85.5 | -42.1 | 0 | 0 | 0 | 107.8 | R60 | R60-D120 IonicContact CZ-OD1 3.93Å; R60-D120 IonicContact CZ-OD2 3.9Å; R60-D120 IonicContact NE-OD1 3.51Å; R60-D120 PolarHBondContact NE-OD1 3.25Å; R60-D120 IonicContact NE-OD2 3.64Å; R60-D120 VanDerWaalsContact NH2-CG 3.29Å; R60-D120 IonicContact NH2-OD1 3.66Å; R60-D120 PolarHBondContact NH2-OD1 3.17Å; R60-D120 VanDerWaalsContact NH2-OD1 3.12Å; R60-D120 IonicContact NH2-OD2 2.65Å; R60-D120 PolarHBondContact NH2-OD2 3.44Å |
| 121 | D | 58.3 | Low | 67.9 | Low | 74 Ų | 74 | 67.5 Ų | 67.5 | 40% | 0.396 | 39% | 0.392 | S | S | . | . | S | Bend | trans | 18.2 | 101.2 | -179.8 | -81.6 | -42.7 | 0 | 0 | 0 | 115.3 | F119 K123 R327 R331 | F119-D121 PolarHBondContact O-N 3.25Å; D121-K123 PolarHBondContact O-N 2.69Å; D121-R327 IonicContact OD1-CZ 2.75Å; D121-R327 IonicContact OD1-NH1 3.46Å; D121-R327 PolarHBondContact OD1-NH1 2.84Å; D121-R331 IonicContact OD2-NH1 2.7Å |
| 122 | L | 57.6 | Low | 67.8 | Low | 54 Ų | 54 | 66.1 Ų | 66.1 | 28% | 0.283 | 39% | 0.385 | S | S | . | . | trans | -46.7 | 99.4 | 175.4 | -68.7 | 166.3 | 0 | 0 | 0 | 110.8 | F119 D124 A126 F128 | F119-L122 HydrophobicContact CB-CD2 4.27Å; F119-L122 HydrophobicContact CG-CD2 4.35Å; L122-D124 PolarHBondContact O-N 3.09Å; L122-A126 HydrophobicContact CD2-CB 4.32Å; L122-F128 HydrophobicContact CD1-CD2 4.43Å; L122-F128 HydrophobicContact CD1-CE2 3.9Å; L122-F128 HydrophobicContact CD2-CE2 3.59Å; L122-F128 HydrophobicContact CD2-CZ 3.99Å; L122-F128 HydrophobicContact CG-CE2 4.41Å | ||
| 123 | K | 44.5 | Very low | 68.3 | Low | 190 Ų | 190 | 59.8 Ų | 59.8 | 83% | 0.826 | 36% | 0.357 | S | S | * | . | trans | -57.2 | 136.1 | 179.7 | -71.1 | -171.4 | 176.3 | -174.7 | 0 | 109 | D121 G125 | D121-K123 PolarHBondContact O-N 2.69Å; K123-G125 PolarHBondContact O-N 2.98Å | ||
| 124 | D | 40 | Very low | 68.6 | Low | 152 Ų | 152 | 58.5 Ų | 58.5 | 81% | 0.813 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -29.4 | 109.5 | -162.8 | -66.3 | -72.3 | 0 | 0 | 0 | 116.1 | L122 K320 | L122-D124 PolarHBondContact O-N 3.09Å; D124-K320 IonicContact OD1-NZ 3.61Å |
| 125 | G | 43.2 | Very low | 68.7 | Low | 71 Ų | 71 | 57.7 Ų | 57.7 | 73% | 0.732 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 122.7 | -16.3 | 160.7 | 0 | 0 | 0 | 0 | 0 | 117 | K123 S127 | K123-G125 PolarHBondContact O-N 2.98Å; G125-S127 VanDerWaalsContact C-N 3.32Å; G125-S127 PolarHBondContact O-N 3.1Å |
| 126 | A | 48.7 | Very low | 68.7 | Low | 30 Ų | 30 | 57.7 Ų | 57.7 | 25% | 0.248 | 34% | 0.336 | C | S | . | . | trans | -73.5 | 77.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113 | I102 L122 | I102-A126 HydrophobicContact CG2-CB 4.43Å; L122-A126 HydrophobicContact CD2-CB 4.32Å | ||
| 127 | S | 57.9 | Low | 68.7 | Low | 112 Ų | 112 | 57.4 Ų | 57.4 | 78% | 0.783 | 33% | 0.333 | S | S | * | . | trans | -80.6 | 112.2 | 164.8 | 58.3 | 0 | 0 | 0 | 0 | 109.8 | G125 | G125-S127 VanDerWaalsContact C-N 3.32Å; G125-S127 PolarHBondContact O-N 3.1Å | ||
| 128 | F | 67.1 | Low | 68.6 | Low | 31 Ų | 31 | 60.5 Ų | 60.5 | 14% | 0.136 | 35% | 0.347 | C | S | . | . | trans | -72.8 | 137.5 | 169.2 | -54.1 | -91.8 | 0 | 0 | 0 | 110.7 | I50 I63 I90 I102 L122 Y134 | I50-F128 HydrophobicContact CD1-CB 3.25Å; I50-F128 HydrophobicContact CD1-CD1 3.98Å; I50-F128 HydrophobicContact CD1-CG 3.71Å; I63-F128 HydrophobicContact CD1-CD2 3.48Å; I63-F128 VanDerWaalsContact CD1-CD2 3.48Å; I63-F128 HydrophobicContact CD1-CE1 4.32Å; I63-F128 HydrophobicContact CD1-CE2 3.19Å; I63-F128 HydrophobicContact CD1-CG 4.16Å; I63-F128 HydrophobicContact CD1-CZ 3.65Å; I90-F128 HydrophobicContact CD1-CE1 4.04Å; I90-F128 HydrophobicContact CD1-CZ 4.44Å; I90-F128 HydrophobicContact CG2-CE1 4.27Å; I102-F128 HydrophobicContact CG2-CE1 4.29Å; L122-F128 HydrophobicContact CD1-CD2 4.43Å; L122-F128 HydrophobicContact CD1-CE2 3.9Å; L122-F128 HydrophobicContact CD2-CE2 3.59Å; L122-F128 HydrophobicContact CD2-CZ 3.99Å; L122-F128 HydrophobicContact CG-CE2 4.41Å; F128-Y134 HydrophobicContact CD1-CE1 4.15Å; F128-Y134 HydrophobicContact CD1-CE2 4.35Å; F128-Y134 AromaticContact CD1-CZ 3.95Å | ||
| 129 | D | 66.9 | Low | 68.4 | Low | 102 Ų | 102 | 61.8 Ų | 61.8 | 55% | 0.545 | 35% | 0.353 | S | S | . | . | trans | -83 | 143.2 | 170.7 | -163.7 | -8.7 | 0 | 0 | 0 | 109.3 | D131 G132 Y134 | D129-D131 PolarHBondContact OD1-N 3.26Å; D129-G132 PolarHBondContact O-N 3.06Å; D129-Y134 PolarHBondContact N-OH 3.18Å | ||
| 130 | S | 66 | Low | 68 | Low | 61 Ų | 61 | 63 Ų | 63 | 43% | 0.427 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -77.7 | -25.5 | -177.6 | -52.7 | 0 | 0 | 0 | 0 | 111.9 | Q49 | Q49-S130 WeakPolarHBondContact CG-O 3.37Å; Q49-S130 PolarHBondContact NE2-O 3.2Å |
| 131 | D | 67.4 | Low | 68.3 | Low | 130 Ų | 130 | 60 Ų | 60 | 70% | 0.695 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -97.7 | 1.5 | 172 | -71.5 | -34.9 | 0 | 0 | 0 | 113.2 | Q49 D129 | Q49-D131 PolarHBondContact NE2-OD1 2.87Å; D129-D131 PolarHBondContact OD1-N 3.26Å |
| 132 | G | 75.8 | Confident | 69 | Low | 14 Ų | 14 | 58.4 Ų | 58.4 | 14% | 0.144 | 34% | 0.338 | C | S | . | . | trans | -63.7 | 138.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | D129 | D129-G132 PolarHBondContact O-N 3.06Š| ||
| 133 | L | 84.6 | Confident | 70.1 | Confident | 39 Ų | 39 | 58.3 Ų | 58.3 | 20% | 0.204 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 150.6 | 163.9 | -65.4 | 177.1 | 0 | 0 | 0 | 109.2 | L48 R68 P93 | L48-L133 CarbonylContact O-C 3.51Å; L48-L133 WeakPolarHBondContact O-CA 3.32Å; R68-L133 HydrophobicContact CG-CD2 4.45Å; P93-L133 HydrophobicContact CB-CB 4.4Å; P93-L133 WeakPolarHBondContact CD-O 3.46Å; P93-L133 HydrophobicContact CG-CB 4.23Å |
| 134 | Y | 87.9 | Confident | 71.9 | Confident | 18 Ų | 18 | 51.1 Ų | 51.1 | 7% | 0.071 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 146.2 | -179.2 | -63.9 | -68.9 | 0 | 0 | 0 | 110.9 | K47 L48 I50 I90 I102 F128 D129 | K47-Y134 PolarHBondContact N-O 3.24Å; L48-Y134 PolarHBondContact N-O 3.17Å; L48-Y134 PolarHBondContact O-N 3.18Å; I50-Y134 HydrophobicContact CD1-CD2 4.26Å; I50-Y134 HydrophobicContact CD1-CE2 3.76Å; I50-Y134 HydrophobicContact CG1-CD2 4.15Å; I50-Y134 HydrophobicContact CG1-CE2 4.04Å; I90-Y134 HydrophobicContact CG2-CD1 3.79Å; I90-Y134 HydrophobicContact CG2-CG 4.11Å; I102-Y134 HydrophobicContact CD1-CD1 3.74Å; I102-Y134 HydrophobicContact CD1-CE1 3.57Å; F128-Y134 HydrophobicContact CD1-CE1 4.15Å; F128-Y134 HydrophobicContact CD1-CE2 4.35Å; F128-Y134 AromaticContact CD1-CZ 3.95Å; D129-Y134 PolarHBondContact N-OH 3.18Å |
| 135 | N | 88.8 | Confident | 74.2 | Confident | 6 Ų | 6 | 45.1 Ų | 45.1 | 3% | 0.032 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 141.8 | 168.9 | -61.8 | -38.6 | 0 | 0 | 0 | 109.1 | L46 K47 I90 Y91 D92 P93 C96 | L46-N135 WeakPolarHBondContact CA-OD1 3.17Å; L46-N135 HydrophobicContact CD2-CB 4.14Å; K47-N135 PolarHBondContact N-OD1 3.28Å; I90-N135 WeakPolarHBondContact CA-O 3.45Å; Y91-N135 PolarHBondContact N-O 3.14Å; Y91-N135 PolarHBondContact O-N 2.79Å; D92-N135 PolarHBondContact O-ND2 2.8Å; P93-N135 WeakPolarHBondContact CA-ND2 3.3Å; C96-N135 VanDerWaalsContact SG-CB 3.58Å |
| 136 | L | 88.2 | Confident | 76.3 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 125.5 | 177.8 | -164.2 | 76.8 | 0 | 0 | 0 | 109.4 | C44 L45 L48 L65 F81 V88 G89 I90 I115 V117 | C44-L136 CarbonylContact C-O 3.59Å; C44-L136 WeakPolarHBondContact CA-O 3.1Å; C44-L136 PolarHBondContact SG-O 2.88Å; L45-L136 HydrophobicContact CB-CB 4.29Å; L45-L136 HydrophobicContact CD1-CD2 4.36Å; L45-L136 PolarHBondContact N-O 3.01Å; L45-L136 PolarHBondContact O-N 3.44Å; L48-L136 HydrophobicContact CD1-CB 4.06Å; L65-L136 HydrophobicContact CD1-CD1 4.14Å; F81-L136 HydrophobicContact CE1-CD2 4.13Å; F81-L136 HydrophobicContact CE1-CG 4.36Å; V88-L136 HydrophobicContact CB-CD1 3.83Å; V88-L136 HydrophobicContact CB-CD2 4.42Å; V88-L136 HydrophobicContact CB-CG 4.01Å; V88-L136 HydrophobicContact CG1-CD2 4.36Å; V88-L136 HydrophobicContact CG1-CG 4.32Å; V88-L136 HydrophobicContact CG2-CD1 3.81Å; V88-L136 HydrophobicContact CG2-CG 4.37Å; G89-L136 WeakPolarHBondContact O-CA 3.48Å; I90-L136 HydrophobicContact CD1-CD1 4.47Å; I90-L136 HydrophobicContact CG1-CD1 3.6Å; I115-L136 HydrophobicContact CD1-CD2 3.67Å; I115-L136 HydrophobicContact CG1-CD2 4.23Å; I115-L136 HydrophobicContact CG2-CD2 4.01Å; V117-L136 HydrophobicContact CG2-CD1 4.32Å; V117-L136 HydrophobicContact CG2-CD2 4.41Å |
| 137 | L | 87.1 | Confident | 78.3 | Confident | 6 Ų | 6 | 49 Ų | 49 | 3% | 0.031 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 135.2 | 179.4 | -175 | 66.4 | 0 | 0 | 0 | 110 | Q30 C44 V88 G89 Y91 C96 L139 | Q30-L137 HydrophobicContact CG-CD2 4.06Å; C44-L137 HydrophobicContact CB-CD1 3.77Å; V88-L137 CarbonylContact C-O 3.59Å; V88-L137 VanDerWaalsContact CA-O 3.27Å; V88-L137 WeakPolarHBondContact CA-O 3.35Å; G89-L137 PolarHBondContact N-O 2.87Å; G89-L137 PolarHBondContact O-N 2.93Å; Y91-L137 HydrophobicContact CD2-CB 4.13Å; Y91-L137 HydrophobicContact CE2-CB 3.68Å; Y91-L137 HydrophobicContact CE2-CD2 4.29Å; C96-L137 HydrophobicContact CB-CD2 4.18Å; L137-L139 HydrophobicContact CD2-CD2 4.5Å |
| 138 | K | 84.2 | Confident | 80 | Confident | 66 Ų | 66 | 43.8 Ų | 43.8 | 29% | 0.287 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 131.9 | 173 | -175.7 | 161.9 | 169.7 | 156.5 | 0 | 110.1 | V43 S80 F81 D86 | V43-K138 WeakPolarHBondContact O-CB 3.49Å; V43-K138 PolarHBondContact O-N 3.22Å; V43-K138 VanDerWaalsContact O-N 3.1Å; S80-K138 PolarHBondContact O-NZ 2.72Å; F81-K138 HydrophobicContact CD1-CB 4.23Å; F81-K138 HydrophobicContact CE1-CB 3.77Å; F81-K138 HydrophobicContact CZ-CB 4.17Å; D86-K138 IonicContact OD1-NZ 3.16Å; D86-K138 VanDerWaalsContact OD2-CE 3.23Å; D86-K138 WeakPolarHBondContact OD2-CE 3.48Å; D86-K138 IonicContact OD2-NZ 2.65Å; D86-K138 PolarHBondContact OD2-NZ 3.48Å |
| 139 | L | 78.4 | Confident | 81.2 | Confident | 33 Ų | 33 | 47.1 Ų | 47.1 | 17% | 0.173 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 153.8 | -177.6 | -59.5 | -179.3 | 0 | 0 | 0 | 111.5 | I87 T104 L137 | I87-L139 HydrophobicContact CG2-CB 4.21Å; I87-L139 HydrophobicContact CG2-CD1 4.42Å; I87-L139 PolarHBondContact O-N 3.23Å; T104-L139 HydrophobicContact CG2-CD1 3.92Å; L137-L139 HydrophobicContact CD2-CD2 4.5Å |
| 140 | A | 71.3 | Confident | 82.5 | Confident | 27 Ų | 27 | 47.3 Ų | 47.3 | 22% | 0.223 | 24% | 0.238 | C | C | . | . | trans | -55.7 | 139.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | E22 I23 D142 | E22-A140 HydrophobicContact CG-CB 4.15Å; E22-A140 WeakPolarHBondContact OE1-CA 3.36Å; E22-A140 WeakPolarHBondContact OE1-CB 3.35Å; I23-A140 HydrophobicContact CG1-CB 4.46Å; A140-D142 PolarHBondContact O-N 3.27Å | ||
| 141 | N | 69.6 | Low | 83.8 | Confident | 44 Ų | 44 | 44.8 Ų | 44.8 | 24% | 0.235 | 22% | 0.221 | C | C | . | . | trans | -88 | 72.2 | -170.1 | -167.8 | -13.5 | 0 | 0 | 0 | 112.7 | E22 I87 V143 T144 | E22-N141 PolarHBondContact OE1-N 2.81Å; I87-N141 VanDerWaalsContact CD1-OD1 3.31Å; I87-N141 WeakPolarHBondContact CD1-OD1 3.46Å; N141-V143 PolarHBondContact O-N 3.4Å; N141-V143 PolarHBondContact OD1-N 2.92Å; N141-T144 WeakPolarHBondContact O-CB 3.37Å; N141-T144 PolarHBondContact O-N 2.82Å | ||
| 142 | D | 74.3 | Confident | 85.1 | Confident | 41 Ų | 41 | 38.6 Ų | 38.6 | 22% | 0.219 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60 | -18.1 | -179.3 | -164.9 | 33.4 | 0 | 0 | 0 | 113.9 | R19 A140 K146 | R19-D142 IonicContact CZ-OD1 2.67Å; R19-D142 VanDerWaalsContact CZ-OD1 3.22Å; R19-D142 IonicContact NE-OD1 2.82Å; R19-D142 PolarHBondContact NE-OD1 3.46Å; R19-D142 IonicContact NH2-OD1 2.89Å; R19-D142 PolarHBondContact NH2-OD1 3.29Å; R19-D142 IonicContact NH2-OD2 3.55Å; R19-D142 PolarHBondContact NH2-OD2 3.42Å; A140-D142 PolarHBondContact O-N 3.27Å; D142-K146 WeakPolarHBondContact O-CB 3.42Å; D142-K146 WeakPolarHBondContact O-CD 3.35Å; D142-K146 VanDerWaalsContact O-CG 3.27Å; D142-K146 WeakPolarHBondContact O-CG 3.29Å; D142-K146 PolarHBondContact O-N 2.8Å; D142-K146 WeakPolarHBondContact OD2-CE 3.29Å; D142-K146 IonicContact OD2-NZ 2.69Å; D142-K146 PolarHBondContact OD2-NZ 3.03Å |
| 143 | V | 79.6 | Confident | 86 | Confident | 52 Ų | 52 | 41.9 Ų | 41.9 | 32% | 0.315 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -67.8 | -35.7 | 175.1 | 174.6 | 0 | 0 | 0 | 0 | 111.3 | I87 N141 K146 R147 | I87-V143 HydrophobicContact CD1-CB 4.19Å; I87-V143 HydrophobicContact CD1-CG2 3.67Å; N141-V143 PolarHBondContact O-N 3.4Å; N141-V143 PolarHBondContact OD1-N 2.92Å; V143-K146 PolarHBondContact O-N 2.97Å; V143-R147 HydrophobicContact CG1-CG 4.47Å; V143-R147 VanDerWaalsContact O-CG 3.31Å; V143-R147 WeakPolarHBondContact O-CG 3.5Å; V143-R147 PolarHBondContact O-N 3.34Å |
| 144 | T | 83 | Confident | 86.4 | Confident | 39 Ų | 39 | 43 Ų | 43 | 24% | 0.239 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63 | -50.7 | 177.4 | -63.6 | 0 | 0 | 0 | 0 | 110.9 | N141 K146 R147 M148 T353 | N141-T144 WeakPolarHBondContact O-CB 3.37Å; N141-T144 PolarHBondContact O-N 2.82Å; T144-K146 PolarHBondContact O-N 3.49Å; T144-R147 PolarHBondContact O-N 3.29Å; T144-R147 VanDerWaalsContact O-N 3.16Å; T144-M148 HydrophobicContact CG2-CE 3.9Å; T144-M148 HydrophobicContact CG2-SD 4.37Å; T144-M148 PolarHBondContact O-N 2.93Å; T144-T353 HydrophobicContact CG2-CG2 3.86Å |
| 145 | Y | 87.5 | Confident | 86.7 | Confident | 25 Ų | 25 | 42.2 Ų | 42.2 | 10% | 0.098 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60 | -43.8 | 175.7 | -63.9 | -83.6 | 0 | 0 | 0 | 112.5 | E18 R19 E22 R147 M148 K149 | E18-Y145 HydrophobicContact CB-CE1 4.5Å; E18-Y145 HydrophobicContact CG-CE1 4.12Å; R19-Y145 HydrophobicContact CB-CD1 3.74Å; R19-Y145 HydrophobicContact CB-CD2 4.4Å; R19-Y145 HydrophobicContact CB-CE1 3.69Å; R19-Y145 HydrophobicContact CB-CE2 4.36Å; R19-Y145 HydrophobicContact CB-CG 4.1Å; R19-Y145 HydrophobicContact CG-CD1 4.24Å; R19-Y145 HydrophobicContact CG-CD2 4.14Å; R19-Y145 HydrophobicContact CG-CE1 4.45Å; R19-Y145 HydrophobicContact CG-CE2 4.35Å; R19-Y145 HydrophobicContact CG-CG 4.08Å; E22-Y145 WeakPolarHBondContact OE2-CE2 3.44Å; E22-Y145 VanDerWaalsContact OE2-CZ 3.3Å; E22-Y145 PolarHBondContact OE2-OH 2.76Å; Y145-R147 VanDerWaalsContact C-N 3.26Å; Y145-R147 PolarHBondContact O-N 3.3Å; Y145-M148 HydrophobicContact CD1-CE 4Å; Y145-M148 HydrophobicContact CE1-CE 4.41Å; Y145-M148 HydrophobicContact CG-CE 4.45Å; Y145-M148 PolarHBondContact O-N 3.12Å; Y145-K149 VanDerWaalsContact O-CB 3.26Å; Y145-K149 WeakPolarHBondContact O-CB 3.38Å; Y145-K149 PolarHBondContact O-N 2.96Å |
| 146 | K | 88.8 | Confident | 86.9 | Confident | 111 Ų | 111 | 45.2 Ų | 45.2 | 48% | 0.483 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.8 | -28.4 | 176.6 | -76.8 | 167.1 | 173.9 | 161.2 | 0 | 113.7 | D142 V143 T144 R150 | D142-K146 WeakPolarHBondContact O-CB 3.42Å; D142-K146 WeakPolarHBondContact O-CD 3.35Å; D142-K146 VanDerWaalsContact O-CG 3.27Å; D142-K146 WeakPolarHBondContact O-CG 3.29Å; D142-K146 PolarHBondContact O-N 2.8Å; D142-K146 WeakPolarHBondContact OD2-CE 3.29Å; D142-K146 IonicContact OD2-NZ 2.69Å; D142-K146 PolarHBondContact OD2-NZ 3.03Å; V143-K146 PolarHBondContact O-N 2.97Å; T144-K146 PolarHBondContact O-N 3.49Å; K146-R150 WeakPolarHBondContact O-CB 3.49Å; K146-R150 WeakPolarHBondContact O-CG 3.42Å; K146-R150 PolarHBondContact O-N 3.48Å; K146-R150 PolarHBondContact O-NE 2.65Å |
| 147 | R | 90.3 | Very high | 86.9 | Confident | 71 Ų | 71 | 47.6 Ų | 47.6 | 27% | 0.268 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -76.5 | -48.6 | 173.9 | -72.4 | 173.5 | -175.3 | -173.5 | 3.5 | 111.3 | V143 T144 Y145 K149 R150 A151 T353 C356 I387 | V143-R147 HydrophobicContact CG1-CG 4.47Å; V143-R147 VanDerWaalsContact O-CG 3.31Å; V143-R147 WeakPolarHBondContact O-CG 3.5Å; V143-R147 PolarHBondContact O-N 3.34Å; T144-R147 PolarHBondContact O-N 3.29Å; T144-R147 VanDerWaalsContact O-N 3.16Å; Y145-R147 VanDerWaalsContact C-N 3.26Å; Y145-R147 PolarHBondContact O-N 3.3Å; R147-K149 PolarHBondContact O-N 3.29Å; R147-R150 PolarHBondContact O-N 2.94Å; R147-A151 PolarHBondContact O-N 2.82Å; R147-T353 VanDerWaalsContact CD-O 3.28Å; R147-T353 WeakPolarHBondContact CD-O 3.33Å; R147-T353 PolarHBondContact NH1-O 3.24Å; R147-C356 HydrophobicContact CG-CB 4.07Å; R147-C356 PolarHBondContact NE-SG 3.49Å; R147-C356 VanDerWaalsContact NE-SG 3.4Å; R147-I387 HydrophobicContact CB-CD1 4.12Å |
| 148 | M | 92.8 | Very high | 87 | Confident | 4 Ų | 4 | 49.5 Ų | 49.5 | 2% | 0.02 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.6 | -46.2 | 177.1 | -65 | -175.5 | -58.2 | 0 | 0 | 111.9 | L15 T144 Y145 R150 A151 L152 L381 S383 I387 | L15-M148 HydrophobicContact CD1-CB 3.9Å; L15-M148 HydrophobicContact CD1-CE 4.43Å; L15-M148 HydrophobicContact CD2-CE 3.64Å; L15-M148 HydrophobicContact CD2-SD 4.36Å; T144-M148 HydrophobicContact CG2-CE 3.9Å; T144-M148 HydrophobicContact CG2-SD 4.37Å; T144-M148 PolarHBondContact O-N 2.93Å; Y145-M148 HydrophobicContact CD1-CE 4Å; Y145-M148 HydrophobicContact CE1-CE 4.41Å; Y145-M148 HydrophobicContact CG-CE 4.45Å; Y145-M148 PolarHBondContact O-N 3.12Å; M148-R150 VanDerWaalsContact C-N 3.3Å; M148-R150 PolarHBondContact O-N 2.98Å; M148-A151 PolarHBondContact O-N 3.48Å; M148-L152 WeakPolarHBondContact O-CG 3.29Å; M148-L152 PolarHBondContact O-N 3.14Å; M148-L381 HydrophobicContact SD-CD1 4.3Å; M148-S383 PolarHBondContact SD-OG 3.37Å; M148-I387 HydrophobicContact CG-CD1 4.14Å |
| 149 | K | 94 | Very high | 86.7 | Confident | 100 Ų | 100 | 57 Ų | 57 | 44% | 0.435 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58 | -39.1 | 175.5 | 176.2 | 155.9 | -173 | 166.1 | 0 | 112.7 | L12 Y145 R147 N153 | L12-K149 HydrophobicContact CD2-CB 4.05Å; L12-K149 HydrophobicContact CD2-CD 4.19Å; L12-K149 HydrophobicContact CD2-CG 3.69Å; Y145-K149 VanDerWaalsContact O-CB 3.26Å; Y145-K149 WeakPolarHBondContact O-CB 3.38Å; Y145-K149 PolarHBondContact O-N 2.96Å; R147-K149 PolarHBondContact O-N 3.29Å; K149-N153 PolarHBondContact O-N 3.49Å; K149-N153 PolarHBondContact O-OD1 3.05Å |
| 150 | R | 92.9 | Very high | 86.8 | Confident | 107 Ų | 107 | 61.5 Ų | 61.5 | 40% | 0.404 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -71.9 | -42.2 | 176.6 | -79.1 | -177.2 | -68.6 | 159.4 | 6.5 | 112.5 | K146 R147 M148 L152 N153 V154 D358 | K146-R150 WeakPolarHBondContact O-CB 3.49Å; K146-R150 WeakPolarHBondContact O-CG 3.42Å; K146-R150 PolarHBondContact O-N 3.48Å; K146-R150 PolarHBondContact O-NE 2.65Å; R147-R150 PolarHBondContact O-N 2.94Å; M148-R150 VanDerWaalsContact C-N 3.3Å; M148-R150 PolarHBondContact O-N 2.98Å; R150-L152 VanDerWaalsContact C-N 3.31Å; R150-L152 PolarHBondContact O-N 2.95Å; R150-N153 PolarHBondContact O-N 3.39Å; R150-V154 WeakPolarHBondContact O-CG2 3.11Å; R150-V154 PolarHBondContact O-N 3.24Å; R150-D358 IonicContact CZ-OD1 2.83Å; R150-D358 IonicContact CZ-OD2 3.45Å; R150-D358 IonicContact NH1-OD1 2.8Å; R150-D358 PolarHBondContact NH1-OD1 2.85Å; R150-D358 IonicContact NH1-OD2 3.57Å; R150-D358 PolarHBondContact NH1-OD2 2.72Å; R150-D358 IonicContact NH2-OD1 2.74Å; R150-D358 IonicContact NH2-OD2 2.79Å; R150-D358 PolarHBondContact NH2-OD2 2.84Å |
| 151 | A | 93.5 | Very high | 87.5 | Confident | 8 Ų | 8 | 61.6 Ų | 61.6 | 7% | 0.066 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.7 | -41.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | R147 M148 V154 L155 I387 | R147-A151 PolarHBondContact O-N 2.82Å; M148-A151 PolarHBondContact O-N 3.48Å; A151-V154 PolarHBondContact O-N 3.28Å; A151-L155 VanDerWaalsContact O-CB 3.28Å; A151-L155 WeakPolarHBondContact O-CB 3.39Å; A151-L155 PolarHBondContact O-N 3.44Å; A151-I387 HydrophobicContact CB-CB 4.39Å; A151-I387 HydrophobicContact CB-CG1 3.7Å |
| 152 | L | 95.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.1 | -39.4 | 174 | -70.2 | 172 | 0 | 0 | 0 | 113 | F7 V8 T11 L12 L15 M148 R150 L155 N156 | F7-L152 HydrophobicContact CE1-CD2 3.86Å; F7-L152 HydrophobicContact CZ-CD2 4.44Å; V8-L152 HydrophobicContact CG1-CB 4.16Å; V8-L152 HydrophobicContact CG2-CD2 4.44Å; T11-L152 HydrophobicContact CG2-CD1 3.75Å; T11-L152 HydrophobicContact CG2-CD2 4.33Å; L12-L152 HydrophobicContact CD2-CB 4.11Å; L12-L152 HydrophobicContact CD2-CD1 3.83Å; L12-L152 HydrophobicContact CG-CB 4.38Å; L12-L152 HydrophobicContact CG-CD1 4.12Å; L15-L152 HydrophobicContact CD1-CD1 3.65Å; M148-L152 WeakPolarHBondContact O-CG 3.29Å; M148-L152 PolarHBondContact O-N 3.14Å; R150-L152 VanDerWaalsContact C-N 3.31Å; R150-L152 PolarHBondContact O-N 2.95Å; L152-L155 HydrophobicContact CD2-CD2 4.33Å; L152-L155 WeakPolarHBondContact O-CB 3.43Å; L152-L155 PolarHBondContact O-N 3.33Å; L152-N156 PolarHBondContact O-N 3.32Å |
| 153 | N | 94.3 | Very high | 89 | Confident | 82 Ų | 82 | 59 Ų | 59 | 44% | 0.439 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.4 | -40.2 | 174.6 | -71.6 | -4.5 | 0 | 0 | 0 | 112.3 | K149 R150 N156 G157 | K149-N153 PolarHBondContact O-N 3.49Å; K149-N153 PolarHBondContact O-OD1 3.05Å; R150-N153 PolarHBondContact O-N 3.39Å; N153-N156 PolarHBondContact O-N 3.14Å; N153-G157 PolarHBondContact O-N 2.98Å |
| 154 | V | 92.4 | Very high | 89.6 | Confident | 64 Ų | 64 | 58.2 Ų | 58.2 | 39% | 0.388 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65 | -43.4 | 175 | 174.3 | 0 | 0 | 0 | 0 | 110.2 | R150 A151 N156 G157 Y158 L390 | R150-V154 WeakPolarHBondContact O-CG2 3.11Å; R150-V154 PolarHBondContact O-N 3.24Å; A151-V154 PolarHBondContact O-N 3.28Å; V154-N156 PolarHBondContact O-N 2.69Å; V154-G157 CarbonylContact O-C 3.6Å; V154-G157 PolarHBondContact O-N 2.97Å; V154-Y158 HydrophobicContact CG1-CD2 4.39Å; V154-Y158 WeakPolarHBondContact O-CB 3.41Å; V154-Y158 PolarHBondContact O-N 3.16Å; V154-L390 HydrophobicContact CB-CD1 4.26Å; V154-L390 HydrophobicContact CG1-CD1 3.96Å |
| 155 | L | 94.1 | Very high | 90 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -56.5 | -46.4 | 174.3 | 174.6 | 65.6 | 0 | 0 | 0 | 111.8 | L4 F7 V8 A151 L152 G157 Y158 I167 F171 W386 L390 | L4-L155 HydrophobicContact CD1-CD1 3.9Å; L4-L155 HydrophobicContact CD1-CD2 4.04Å; L4-L155 HydrophobicContact CD1-CG 3.78Å; F7-L155 HydrophobicContact CD1-CD2 4.42Å; F7-L155 HydrophobicContact CE1-CD2 4.07Å; V8-L155 HydrophobicContact CG2-CD2 4.07Å; V8-L155 HydrophobicContact CG2-CG 4.33Å; A151-L155 VanDerWaalsContact O-CB 3.28Å; A151-L155 WeakPolarHBondContact O-CB 3.39Å; A151-L155 PolarHBondContact O-N 3.44Å; L152-L155 HydrophobicContact CD2-CD2 4.33Å; L152-L155 WeakPolarHBondContact O-CB 3.43Å; L152-L155 PolarHBondContact O-N 3.33Å; L155-G157 VanDerWaalsContact C-N 3.26Å; L155-G157 PolarHBondContact O-N 3.44Å; L155-Y158 VanDerWaalsContact O-CB 3.3Å; L155-Y158 WeakPolarHBondContact O-CB 3.39Å; L155-Y158 PolarHBondContact O-N 3.42Å; L155-Y158 VanDerWaalsContact O-N 3.13Å; L155-I167 HydrophobicContact CD1-CD1 3.98Å; L155-I167 HydrophobicContact CD1-CG1 4.04Å; L155-I167 HydrophobicContact CD1-CG2 4.31Å; L155-F171 HydrophobicContact CD1-CE2 4.45Å; L155-F171 HydrophobicContact CD2-CE2 4.43Å; L155-F171 HydrophobicContact CD2-CZ 4.34Å; L155-W386 HydrophobicContact CD1-CD2 4.27Å; L155-W386 HydrophobicContact CD1-CE3 3.81Å; L155-W386 HydrophobicContact CD1-CH2 4.13Å; L155-W386 HydrophobicContact CD1-CZ3 3.74Å; L155-W386 HydrophobicContact CD2-CD2 3.67Å; L155-W386 HydrophobicContact CD2-CE3 4.08Å; L155-W386 HydrophobicContact CD2-CG 3.91Å; L155-W386 HydrophobicContact CD2-CZ2 4.29Å; L155-L390 HydrophobicContact CB-CD1 4.34Å; L155-L390 HydrophobicContact CD1-CD2 3.99Å |
| 156 | N | 92.8 | Very high | 90.4 | Very high | 69 Ų | 69 | 58.6 Ų | 58.6 | 37% | 0.369 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64 | -31.5 | 178.4 | -157.3 | 41.5 | 0 | 0 | 0 | 113.1 | E5 V8 L152 N153 V154 | E5-N156 WeakPolarHBondContact CA-OD1 3.33Å; V8-N156 HydrophobicContact CB-CB 4.31Å; V8-N156 HydrophobicContact CG1-CB 4.04Å; V8-N156 HydrophobicContact CG2-CB 4.09Å; L152-N156 PolarHBondContact O-N 3.32Å; N153-N156 PolarHBondContact O-N 3.14Å; V154-N156 PolarHBondContact O-N 2.69Å |
| 157 | G | 88.5 | Confident | 90.7 | Very high | 51 Ų | 51 | 53.9 Ų | 53.9 | 53% | 0.526 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -1.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | N153 V154 L155 R159 | N153-G157 PolarHBondContact O-N 2.98Å; V154-G157 CarbonylContact O-C 3.6Å; V154-G157 PolarHBondContact O-N 2.97Å; L155-G157 VanDerWaalsContact C-N 3.26Å; L155-G157 PolarHBondContact O-N 3.44Å; G157-R159 PolarHBondContact O-N 2.84Å; G157-R159 VanDerWaalsContact O-N 3.16Å |
| 158 | Y | 89.4 | Confident | 90.8 | Very high | 45 Ų | 45 | 54.3 Ų | 54.3 | 18% | 0.176 | 29% | 0.292 | C | S | . | . | trans | -75.9 | 106.4 | -169.4 | -154.1 | -84 | 0 | 0 | 0 | 111 | V154 L155 G161 P162 A163 I167 L390 | V154-Y158 HydrophobicContact CG1-CD2 4.39Å; V154-Y158 WeakPolarHBondContact O-CB 3.41Å; V154-Y158 PolarHBondContact O-N 3.16Å; L155-Y158 VanDerWaalsContact O-CB 3.3Å; L155-Y158 WeakPolarHBondContact O-CB 3.39Å; L155-Y158 PolarHBondContact O-N 3.42Å; L155-Y158 VanDerWaalsContact O-N 3.13Å; Y158-G161 WeakPolarHBondContact OH-CA 3.34Å; Y158-P162 WeakPolarHBondContact OH-CD 3.33Å; Y158-A163 HydrophobicContact CE1-CB 4.13Å; Y158-A163 WeakPolarHBondContact OH-CB 3.47Å; Y158-A163 PolarHBondContact OH-N 2.94Å; Y158-A163 VanDerWaalsContact OH-N 3.08Å; Y158-I167 HydrophobicContact CD1-CD1 3.39Å; Y158-I167 HydrophobicContact CD2-CD1 4.47Å; Y158-I167 HydrophobicContact CE1-CD1 3.85Å; Y158-I167 HydrophobicContact CG-CD1 3.74Å; Y158-L390 HydrophobicContact CD2-CD2 3.87Å; Y158-L390 HydrophobicContact CE2-CB 4.34Å; Y158-L390 HydrophobicContact CE2-CD2 3.98Å; Y158-L390 HydrophobicContact CG-CD2 4.39Å; Y158-L390 PolarHBondContact OH-O 2.95Å | ||
| 159 | R | 79 | Confident | 90.9 | Very high | 223 Ų | 223 | 54.3 Ų | 54.3 | 84% | 0.842 | 29% | 0.292 | S | S | * | . | trans | -110.3 | -34.7 | -179.6 | -64.7 | -172.6 | -178.6 | -136.5 | -0.8 | 113.8 | G157 | G157-R159 PolarHBondContact O-N 2.84Å; G157-R159 VanDerWaalsContact O-N 3.16Å | ||
| 160 | T | 80.8 | Confident | 90.9 | Very high | 129 Ų | 129 | 49.5 Ų | 49.5 | 79% | 0.791 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -145.4 | 137.7 | -177.4 | 46.2 | 0 | 0 | 0 | 0 | 109.3 | ||
| 161 | G | 84.3 | Confident | 91 | Very high | 29 Ų | 29 | 46 Ų | 46 | 30% | 0.299 | 26% | 0.259 | S | S | . | . | S | Bend | trans | 150.8 | 172.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y158 A163 S164 | Y158-G161 WeakPolarHBondContact OH-CA 3.34Å; G161-A163 VanDerWaalsContact C-N 3.25Å; G161-A163 PolarHBondContact O-N 2.79Å; G161-S164 WeakPolarHBondContact O-CB 3.36Å; G161-S164 PolarHBondContact O-N 2.8Å; G161-S164 VanDerWaalsContact O-N 3.13Å |
| 162 | P | 84.6 | Confident | 90.8 | Very high | 30 Ų | 30 | 47.6 Ų | 47.6 | 20% | 0.195 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -32.5 | -172.5 | 21.9 | -34 | 0 | 0 | 0 | 113.7 | Y158 S164 E367 R393 | Y158-P162 WeakPolarHBondContact OH-CD 3.33Å; P162-S164 VanDerWaalsContact C-N 3.29Å; P162-S164 PolarHBondContact O-N 2.94Å; P162-E367 HydrophobicContact CB-CG 4.36Å; P162-E367 HydrophobicContact CG-CG 4.09Å; P162-R393 VanDerWaalsContact O-CA 3.31Å; P162-R393 WeakPolarHBondContact O-CA 3.46Å; P162-R393 WeakPolarHBondContact O-CB 3.44Å |
| 163 | A | 91.9 | Very high | 90.6 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.008 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 4.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y158 G161 L166 I167 A392 | Y158-A163 HydrophobicContact CE1-CB 4.13Å; Y158-A163 WeakPolarHBondContact OH-CB 3.47Å; Y158-A163 PolarHBondContact OH-N 2.94Å; Y158-A163 VanDerWaalsContact OH-N 3.08Å; G161-A163 VanDerWaalsContact C-N 3.25Å; G161-A163 PolarHBondContact O-N 2.79Å; A163-L166 WeakPolarHBondContact O-CB 3.24Å; A163-L166 PolarHBondContact O-N 2.86Å; A163-I167 HydrophobicContact CB-CD1 4.23Å; A163-I167 HydrophobicContact CB-CG1 4.48Å; A163-I167 WeakPolarHBondContact O-CD1 3.38Å; A163-I167 VanDerWaalsContact O-CG1 3.26Å; A163-I167 WeakPolarHBondContact O-CG1 3.39Å; A163-I167 PolarHBondContact O-N 3.17Å; A163-A392 WeakPolarHBondContact CA-O 3.36Å; A163-A392 WeakPolarHBondContact CB-O 3.36Å |
| 164 | S | 91.9 | Very high | 90.4 | Very high | 34 Ų | 34 | 49.5 Ų | 49.5 | 24% | 0.238 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.6 | -53.9 | -172.9 | -171.9 | 0 | 0 | 0 | 0 | 112.9 | G161 P162 L166 I167 H168 | G161-S164 WeakPolarHBondContact O-CB 3.36Å; G161-S164 PolarHBondContact O-N 2.8Å; G161-S164 VanDerWaalsContact O-N 3.13Å; P162-S164 VanDerWaalsContact C-N 3.29Å; P162-S164 PolarHBondContact O-N 2.94Å; S164-L166 VanDerWaalsContact C-N 3.3Å; S164-L166 PolarHBondContact O-N 2.93Å; S164-I167 PolarHBondContact O-N 3.26Å; S164-H168 PolarHBondContact O-CD2 3.32Å; S164-H168 PolarHBondContact O-N 3.1Å |
| 165 | S | 91.9 | Very high | 90.3 | Very high | 72 Ų | 72 | 53.2 Ų | 53.2 | 50% | 0.503 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.7 | -40.2 | 176.7 | -48.7 | 0 | 0 | 0 | 0 | 112 | I167 H168 V169 | S165-I167 PolarHBondContact O-N 2.99Å; S165-H168 PolarHBondContact O-N 3.21Å; S165-V169 PolarHBondContact O-N 2.95Å; S165-V169 VanDerWaalsContact O-N 3.12Å |
| 166 | L | 94.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.4 | -43.4 | 177.2 | 176.9 | 60.3 | 0 | 0 | 0 | 111.8 | A163 S164 H168 V169 L170 E208 L389 C395 | A163-L166 WeakPolarHBondContact O-CB 3.24Å; A163-L166 PolarHBondContact O-N 2.86Å; S164-L166 VanDerWaalsContact C-N 3.3Å; S164-L166 PolarHBondContact O-N 2.93Å; L166-H168 VanDerWaalsContact C-N 3.34Å; L166-H168 PolarHBondContact O-N 2.91Å; L166-V169 PolarHBondContact O-N 2.84Å; L166-L170 HydrophobicContact CD1-CD1 3.78Å; L166-L170 HydrophobicContact CD1-CD2 4.33Å; L166-L170 HydrophobicContact CD1-CG 3.8Å; L166-L170 HydrophobicContact CD2-CD1 4.31Å; L166-L170 HydrophobicContact CG-CD1 3.69Å; L166-L170 HydrophobicContact CG-CG 4.14Å; L166-L170 WeakPolarHBondContact O-CB 3.16Å; L166-L170 VanDerWaalsContact O-CG 3.22Å; L166-L170 WeakPolarHBondContact O-CG 3.4Å; L166-L170 PolarHBondContact O-N 2.72Å; L166-E208 HydrophobicContact CD1-CB 4.27Å; L166-E208 WeakPolarHBondContact CD1-O 3.43Å; L166-L389 HydrophobicContact CD2-CD2 4.43Å; L166-C395 HydrophobicContact CD1-CB 4.41Å; L166-C395 HydrophobicContact CD2-CB 4.02Å |
| 167 | I | 95.2 | Very high | 90 | Very high | 13 Ų | 13 | 52.9 Ų | 52.9 | 7% | 0.067 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61 | -43.7 | 176.7 | -69.3 | 160.1 | 0 | 0 | 0 | 110.4 | L4 L155 Y158 A163 S164 S165 V169 L170 F171 W386 L390 | L4-I167 HydrophobicContact CD1-CG2 4.43Å; L4-I167 HydrophobicContact CD2-CG2 4.41Å; L155-I167 HydrophobicContact CD1-CD1 3.98Å; L155-I167 HydrophobicContact CD1-CG1 4.04Å; L155-I167 HydrophobicContact CD1-CG2 4.31Å; Y158-I167 HydrophobicContact CD1-CD1 3.39Å; Y158-I167 HydrophobicContact CD2-CD1 4.47Å; Y158-I167 HydrophobicContact CE1-CD1 3.85Å; Y158-I167 HydrophobicContact CG-CD1 3.74Å; A163-I167 HydrophobicContact CB-CD1 4.23Å; A163-I167 HydrophobicContact CB-CG1 4.48Å; A163-I167 WeakPolarHBondContact O-CD1 3.38Å; A163-I167 VanDerWaalsContact O-CG1 3.26Å; A163-I167 WeakPolarHBondContact O-CG1 3.39Å; A163-I167 PolarHBondContact O-N 3.17Å; S164-I167 PolarHBondContact O-N 3.26Å; S165-I167 PolarHBondContact O-N 2.99Å; I167-V169 VanDerWaalsContact C-N 3.35Å; I167-V169 PolarHBondContact O-N 3.04Å; I167-L170 PolarHBondContact O-N 2.83Å; I167-F171 HydrophobicContact CG2-CD2 3.92Å; I167-F171 HydrophobicContact CG2-CE2 4.27Å; I167-F171 WeakPolarHBondContact O-CD2 3.14Å; I167-F171 PolarHBondContact O-N 3.44Å; I167-F171 VanDerWaalsContact O-N 3.1Å; I167-W386 HydrophobicContact CG1-CH2 4.22Å; I167-W386 HydrophobicContact CG1-CZ3 3.9Å; I167-L390 HydrophobicContact CD1-CD2 3.88Å; I167-L390 HydrophobicContact CG1-CD2 4.5Å |
| 168 | H | 93.1 | Very high | 89.8 | Confident | 80 Ų | 80 | 53.6 Ų | 53.6 | 37% | 0.37 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.8 | -41.9 | 177.7 | -70.8 | -63.2 | 0 | 0 | 0 | 112.6 | S164 S165 L166 G172 D173 A174 | S164-H168 PolarHBondContact O-CD2 3.32Å; S164-H168 PolarHBondContact O-N 3.1Å; S165-H168 PolarHBondContact O-N 3.21Å; L166-H168 VanDerWaalsContact C-N 3.34Å; L166-H168 PolarHBondContact O-N 2.91Å; H168-G172 PolarHBondContact O-N 3.12Å; H168-D173 HydrophobicContact CB-CB 4.11Å; H168-D173 IonicContact ND1-OD2 3.01Å; H168-D173 PolarHBondContact O-N 2.8Å; H168-A174 HydrophobicContact CB-CB 3.85Å; H168-A174 PolarHBondContact O-N 3.28Å; H168-A174 VanDerWaalsContact O-N 3.1Å |
| 169 | V | 94.5 | Very high | 89.2 | Confident | 3 Ų | 3 | 55.7 Ų | 55.7 | 2% | 0.018 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.6 | -45.3 | 173.2 | 176.9 | 0 | 0 | 0 | 0 | 111.3 | S165 L166 I167 F171 G172 A174 P176 E208 L209 Y430 | S165-V169 PolarHBondContact O-N 2.95Å; S165-V169 VanDerWaalsContact O-N 3.12Å; L166-V169 PolarHBondContact O-N 2.84Å; I167-V169 VanDerWaalsContact C-N 3.35Å; I167-V169 PolarHBondContact O-N 3.04Å; V169-F171 PolarHBondContact O-N 3.12Å; V169-F171 VanDerWaalsContact O-N 3.08Å; V169-G172 PolarHBondContact O-N 2.69Å; V169-G172 VanDerWaalsContact O-N 3.14Å; V169-A174 HydrophobicContact CG2-CB 4.19Å; V169-P176 HydrophobicContact CG1-CB 3.97Å; V169-E208 HydrophobicContact CB-CB 4.35Å; V169-E208 HydrophobicContact CG2-CB 4.05Å; V169-E208 HydrophobicContact CG2-CG 3.91Å; V169-L209 HydrophobicContact CG1-CB 4.31Å; V169-L209 HydrophobicContact CG1-CD2 4.36Å; V169-Y430 PolarHBondContact O-OH 2.78Å |
| 170 | L | 94.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.6 | -16.4 | -177.8 | -69.7 | 177 | 0 | 0 | 0 | 114.5 | L166 I167 L209 W386 L389 R425 L426 | L166-L170 HydrophobicContact CD1-CD1 3.78Å; L166-L170 HydrophobicContact CD1-CD2 4.33Å; L166-L170 HydrophobicContact CD1-CG 3.8Å; L166-L170 HydrophobicContact CD2-CD1 4.31Å; L166-L170 HydrophobicContact CG-CD1 3.69Å; L166-L170 HydrophobicContact CG-CG 4.14Å; L166-L170 WeakPolarHBondContact O-CB 3.16Å; L166-L170 VanDerWaalsContact O-CG 3.22Å; L166-L170 WeakPolarHBondContact O-CG 3.4Å; L166-L170 PolarHBondContact O-N 2.72Å; I167-L170 PolarHBondContact O-N 2.83Å; L170-L209 HydrophobicContact CD2-CD1 4.25Å; L170-L209 HydrophobicContact CD2-CD2 4.19Å; L170-W386 HydrophobicContact CB-CH2 3.88Å; L170-W386 HydrophobicContact CB-CZ2 4.24Å; L170-W386 HydrophobicContact CD1-CH2 3.39Å; L170-W386 HydrophobicContact CD1-CZ2 4.08Å; L170-W386 HydrophobicContact CD1-CZ3 3.88Å; L170-W386 HydrophobicContact CG-CH2 4.29Å; L170-L389 HydrophobicContact CD1-CD1 4.21Å; L170-R425 PolarHBondContact O-NH1 2.78Å; L170-R425 PolarHBondContact O-NH2 3.08Å; L170-L426 HydrophobicContact CD2-CD1 3.52Å; L170-L426 HydrophobicContact CD2-CD2 3.84Å; L170-L426 HydrophobicContact CD2-CG 4.31Å |
| 171 | F | 94.3 | Very high | 87.2 | Confident | 33 Ų | 33 | 51.9 Ų | 51.9 | 15% | 0.145 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | 1.4 | 175.4 | -75.9 | -77.4 | 0 | 0 | 0 | 114.8 | L4 F7 L155 I167 V169 D173 W386 | L4-F171 HydrophobicContact CD1-CD1 4.45Å; L4-F171 HydrophobicContact CD1-CD2 3.71Å; L4-F171 HydrophobicContact CD1-CE1 4.07Å; L4-F171 HydrophobicContact CD1-CE2 3.22Å; L4-F171 HydrophobicContact CD1-CG 4.31Å; L4-F171 HydrophobicContact CD1-CZ 3.44Å; L4-F171 VanDerWaalsContact CD1-CZ 3.44Å; F7-F171 HydrophobicContact CB-CE1 3.76Å; F7-F171 HydrophobicContact CB-CZ 4.46Å; F7-F171 AromaticContact CD1-CE1 3.64Å; F7-F171 HydrophobicContact CD1-CE1 3.64Å; F7-F171 AromaticContact CD1-CZ 3.51Å; F7-F171 HydrophobicContact CD1-CZ 3.51Å; F7-F171 HydrophobicContact CD2-CE1 4.17Å; F7-F171 HydrophobicContact CE1-CE1 4.3Å; F7-F171 AromaticContact CE1-CZ 3.86Å; F7-F171 HydrophobicContact CE1-CZ 3.86Å; F7-F171 AromaticContact CG-CE1 3.57Å; F7-F171 HydrophobicContact CG-CE1 3.57Å; F7-F171 AromaticContact CG-CZ 3.96Å; F7-F171 HydrophobicContact CG-CZ 3.96Å; L155-F171 HydrophobicContact CD1-CE2 4.45Å; L155-F171 HydrophobicContact CD2-CE2 4.43Å; L155-F171 HydrophobicContact CD2-CZ 4.34Å; I167-F171 HydrophobicContact CG2-CD2 3.92Å; I167-F171 HydrophobicContact CG2-CE2 4.27Å; I167-F171 WeakPolarHBondContact O-CD2 3.14Å; I167-F171 PolarHBondContact O-N 3.44Å; I167-F171 VanDerWaalsContact O-N 3.1Å; V169-F171 PolarHBondContact O-N 3.12Å; V169-F171 VanDerWaalsContact O-N 3.08Å; F171-D173 VanDerWaalsContact C-N 3.27Å; F171-D173 PolarHBondContact O-N 3.26Å; F171-W386 HydrophobicContact CD2-CH2 4.32Å; F171-W386 HydrophobicContact CD2-CZ2 4.29Å; F171-W386 AromaticContact CE2-CH2 3.58Å; F171-W386 HydrophobicContact CE2-CH2 3.58Å; F171-W386 AromaticContact CE2-CZ2 3.3Å; F171-W386 HydrophobicContact CE2-CZ2 3.3Å; F171-W386 HydrophobicContact CZ-CH2 4.37Å; F171-W386 AromaticContact CZ-CZ2 3.65Å; F171-W386 HydrophobicContact CZ-CZ2 3.65Å |
| 172 | G | 90.1 | Very high | 85.9 | Confident | 41 Ų | 41 | 56 Ų | 56 | 42% | 0.423 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | 9.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | H168 V169 A174 | H168-G172 PolarHBondContact O-N 3.12Å; V169-G172 PolarHBondContact O-N 2.69Å; V169-G172 VanDerWaalsContact O-N 3.14Å; G172-A174 PolarHBondContact O-N 2.81Å |
| 173 | D | 89.6 | Confident | 84.8 | Confident | 83 Ų | 83 | 59.7 Ų | 59.7 | 44% | 0.444 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -70.3 | -18.7 | 170.4 | -78.8 | -9 | 0 | 0 | 0 | 110.8 | A1 H168 F171 | A1-D173 PolarHBondContact N-OD2 2.81Å; H168-D173 HydrophobicContact CB-CB 4.11Å; H168-D173 IonicContact ND1-OD2 3.01Å; H168-D173 PolarHBondContact O-N 2.8Å; F171-D173 VanDerWaalsContact C-N 3.27Å; F171-D173 PolarHBondContact O-N 3.26Å |
| 174 | A | 90.1 | Very high | 83.9 | Confident | 39 Ų | 39 | 69.1 Ų | 69.1 | 32% | 0.322 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -142.1 | 159.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | H168 V169 G172 Y430 | H168-A174 HydrophobicContact CB-CB 3.85Å; H168-A174 PolarHBondContact O-N 3.28Å; H168-A174 VanDerWaalsContact O-N 3.1Å; V169-A174 HydrophobicContact CG2-CB 4.19Å; G172-A174 PolarHBondContact O-N 2.81Å; A174-Y430 PolarHBondContact O-OH 2.86Å; A174-Y430 VanDerWaalsContact O-OH 3.11Å |
| 175 | Q | 91.3 | Very high | 83.5 | Confident | 143 Ų | 143 | 69.9 Ų | 69.9 | 67% | 0.668 | 40% | 0.397 | S | S | * | . | trans | -88.1 | 145.1 | 173.7 | -66.4 | -61.9 | -27.4 | 0 | 0 | 111.2 | ||||
| 176 | P | 90.7 | Very high | 83.4 | Confident | 27 Ų | 27 | 73.8 Ų | 73.8 | 18% | 0.175 | 41% | 0.407 | C | S | . | . | trans | -63.5 | 142.4 | 174.9 | 28.4 | -35.3 | 0 | 0 | 0 | 110.6 | V169 Y430 V434 | V169-P176 HydrophobicContact CG1-CB 3.97Å; P176-Y430 VanDerWaalsContact CD-CE1 3.47Å; P176-Y430 HydrophobicContact CG-CD1 4.11Å; P176-Y430 HydrophobicContact CG-CE1 4.13Å; P176-V434 HydrophobicContact CB-CG1 3.73Å; P176-V434 HydrophobicContact CG-CG1 3.54Å | ||
| 177 | S | 89.4 | Confident | 83.4 | Confident | 35 Ų | 35 | 76.6 Ų | 76.6 | 25% | 0.245 | 42% | 0.42 | C | S | . | . | trans | -123.1 | 150.7 | -177.9 | 76.7 | 0 | 0 | 0 | 0 | 112.9 | Q206 R207 E208 | S177-Q206 PolarHBondContact O-OE1 3.15Å; S177-R207 VanDerWaalsContact O-CB 3.29Å; S177-R207 WeakPolarHBondContact O-CB 3.4Å; S177-R207 PolarHBondContact O-N 2.92Å; S177-R207 WeakPolarHBondContact OG-CD 3.43Å; S177-E208 PolarHBondContact N-OE2 2.94Å; S177-E208 PolarHBondContact OG-OE1 3.36Å; S177-E208 PolarHBondContact OG-OE2 3.14Å | ||
| 178 | S | 83.4 | Confident | 83.3 | Confident | 65 Ų | 65 | 81.3 Ų | 81.3 | 46% | 0.455 | 44% | 0.44 | S | S | . | . | B | Isolated β-bridge | trans | -113.9 | 159.1 | 179 | 58.2 | 0 | 0 | 0 | 0 | 111.9 | ||
| 179 | H | 77.3 | Confident | 83.2 | Confident | 89 Ų | 89 | 79.6 Ų | 79.6 | 41% | 0.412 | 43% | 0.433 | S | S | . | . | trans | -76.6 | 133.7 | 169.2 | -64.3 | 88.4 | 0 | 0 | 0 | 110.1 | Q181 S205 R207 | H179-Q181 PolarHBondContact O-N 2.93Å; H179-S205 PolarHBondContact N-O 2.81Å; H179-S205 PolarHBondContact ND1-O 3.32Å; H179-R207 WeakPolarHBondContact CE1-CG 3.35Å | ||
| 180 | S | 59.8 | Low | 82.9 | Confident | 120 Ų | 120 | 84.1 Ų | 84.1 | 84% | 0.839 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -72.5 | -11.4 | -177.4 | -38.8 | 0 | 0 | 0 | 0 | 114.5 | ||
| 181 | Q | 59.3 | Low | 82.8 | Confident | 152 Ų | 152 | 91.9 Ų | 91.9 | 71% | 0.71 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -110.9 | 121.4 | -178.6 | -72.7 | -179.7 | -24.5 | 0 | 0 | 110.1 | H179 N183 | H179-Q181 PolarHBondContact O-N 2.93Å; Q181-N183 PolarHBondContact O-N 3.16Å |
| 182 | S | 56.9 | Low | 82.8 | Confident | 117 Ų | 117 | 90.4 Ų | 90.4 | 82% | 0.818 | 50% | 0.495 | S | S | * | . | trans | -72.5 | 97.3 | 161.4 | 50.8 | 0 | 0 | 0 | 0 | 108.2 | E184 | S182-E184 PolarHBondContact O-N 3.26Š| ||
| 183 | N | 61.1 | Low | 83.1 | Confident | 106 Ų | 106 | 89.2 Ų | 89.2 | 57% | 0.567 | 48% | 0.479 | S | S | * | . | trans | -65.3 | 122.6 | 166 | -69.6 | -15 | 0 | 0 | 0 | 107.2 | Q181 F185 | Q181-N183 PolarHBondContact O-N 3.16Å; N183-F185 WeakPolarHBondContact O-CD1 3.4Å; N183-F185 PolarHBondContact O-N 2.77Å | ||
| 184 | E | 72.3 | Confident | 83.5 | Confident | 200 Ų | 200 | 90.9 Ų | 90.9 | 94% | 0.935 | 49% | 0.488 | S | S | * | . | trans | -65.7 | 128.8 | 166.6 | -68.5 | -176 | 159 | 0 | 0 | 108.5 | S182 | S182-E184 PolarHBondContact O-N 3.26Š| ||
| 185 | F | 84.2 | Confident | 83.8 | Confident | 50 Ų | 50 | 89.7 Ų | 89.7 | 22% | 0.219 | 48% | 0.477 | C | S | . | . | trans | -140.9 | 140.6 | 176.5 | 66.1 | -89.2 | 0 | 0 | 0 | 110.3 | N183 F187 V200 L204 Q230 | N183-F185 WeakPolarHBondContact O-CD1 3.4Å; N183-F185 PolarHBondContact O-N 2.77Å; F185-F187 AromaticContact CE2-CD1 3.88Å; F185-F187 HydrophobicContact CE2-CD1 3.88Å; F185-F187 AromaticContact CE2-CE1 3.54Å; F185-F187 HydrophobicContact CE2-CE1 3.54Å; F185-F187 HydrophobicContact CE2-CE2 4.37Å; F185-F187 HydrophobicContact CE2-CG 4.43Å; F185-F187 AromaticContact CE2-CZ 3.81Å; F185-F187 HydrophobicContact CE2-CZ 3.81Å; F185-F187 AromaticContact CZ-CE1 3.98Å; F185-F187 HydrophobicContact CZ-CE1 3.98Å; F185-F187 AromaticContact CZ-CZ 3.99Å; F185-F187 HydrophobicContact CZ-CZ 3.99Å; F185-V200 HydrophobicContact CE2-CG1 3.91Å; F185-V200 HydrophobicContact CZ-CG1 4.03Å; F185-L204 HydrophobicContact CD1-CD1 3.91Å; F185-L204 HydrophobicContact CD2-CD1 4.11Å; F185-L204 HydrophobicContact CE1-CD1 3.62Å; F185-L204 HydrophobicContact CE2-CD1 3.81Å; F185-L204 HydrophobicContact CG-CD1 4.19Å; F185-L204 HydrophobicContact CZ-CD1 3.57Å; F185-Q230 HydrophobicContact CD2-CG 4.21Å; F185-Q230 HydrophobicContact CE2-CG 4.38Å | ||
| 186 | E | 90.3 | Very high | 84.1 | Confident | 153 Ų | 153 | 83.2 Ų | 83.2 | 72% | 0.715 | 45% | 0.447 | S | S | * | . | trans | -83 | 129 | 172.1 | -61.7 | 172.8 | 150.9 | 0 | 0 | 110.1 | Q230 | E186-Q230 PolarHBondContact O-NE2 2.81Š| ||
| 187 | F | 93.3 | Very high | 84.4 | Confident | 60 Ų | 60 | 85.6 Ų | 85.6 | 26% | 0.263 | 45% | 0.452 | S | S | . | . | trans | -64 | 139.3 | 171.8 | -61.9 | -84.5 | 0 | 0 | 0 | 111.2 | F185 L192 R197 V200 E226 | F185-F187 AromaticContact CE2-CD1 3.88Å; F185-F187 HydrophobicContact CE2-CD1 3.88Å; F185-F187 AromaticContact CE2-CE1 3.54Å; F185-F187 HydrophobicContact CE2-CE1 3.54Å; F185-F187 HydrophobicContact CE2-CE2 4.37Å; F185-F187 HydrophobicContact CE2-CG 4.43Å; F185-F187 AromaticContact CE2-CZ 3.81Å; F185-F187 HydrophobicContact CE2-CZ 3.81Å; F185-F187 AromaticContact CZ-CE1 3.98Å; F185-F187 HydrophobicContact CZ-CE1 3.98Å; F185-F187 AromaticContact CZ-CZ 3.99Å; F185-F187 HydrophobicContact CZ-CZ 3.99Å; F187-L192 HydrophobicContact CD1-CD1 3.8Å; F187-L192 HydrophobicContact CE1-CD1 4.44Å; F187-L192 HydrophobicContact CG-CD1 4.41Å; F187-R197 HydrophobicContact CD1-CG 4.49Å; F187-R197 HydrophobicContact CD2-CG 4.46Å; F187-R197 HydrophobicContact CE1-CB 4.11Å; F187-R197 HydrophobicContact CE1-CG 3.98Å; F187-R197 HydrophobicContact CE2-CB 4.34Å; F187-R197 HydrophobicContact CE2-CG 3.97Å; F187-R197 HydrophobicContact CZ-CB 3.71Å; F187-R197 HydrophobicContact CZ-CG 3.71Å; F187-V200 HydrophobicContact CD1-CG1 4.31Å; F187-V200 HydrophobicContact CE1-CB 3.98Å; F187-V200 HydrophobicContact CE1-CG1 3.85Å; F187-V200 HydrophobicContact CE1-CG2 4.49Å; F187-E226 WeakPolarHBondContact CA-OE1 3.43Å; F187-E226 HydrophobicContact CD1-CG 4.19Å | ||
| 188 | F | 92.6 | Very high | 84.7 | Confident | 111 Ų | 111 | 88.7 Ų | 88.7 | 49% | 0.487 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -72.9 | -37.1 | 171.9 | -70.7 | -88.4 | 0 | 0 | 0 | 111.4 | E226 L229 Q230 K233 | F188-E226 PolarHBondContact N-OE1 2.99Å; F188-E226 PolarHBondContact N-OE2 3.24Å; F188-L229 HydrophobicContact CB-CD1 4.23Å; F188-L229 HydrophobicContact CD2-CB 3.62Å; F188-L229 HydrophobicContact CD2-CD1 4.43Å; F188-L229 HydrophobicContact CE2-CB 3.72Å; F188-L229 HydrophobicContact CG-CB 4.27Å; F188-L229 HydrophobicContact CG-CD1 4.32Å; F188-L229 HydrophobicContact CZ-CB 4.43Å; F188-Q230 HydrophobicContact CD2-CG 4.41Å; F188-Q230 HydrophobicContact CE2-CG 4.44Å; F188-K233 HydrophobicContact CE2-CB 4.12Å; F188-K233 HydrophobicContact CE2-CD 3.85Å; F188-K233 HydrophobicContact CE2-CG 4.46Å; F188-K233 HydrophobicContact CZ-CB 3.96Å; F188-K233 HydrophobicContact CZ-CD 3.7Å; F188-K233 HydrophobicContact CZ-CG 4.06Å |
| 189 | N | 91.2 | Very high | 85.3 | Confident | 44 Ų | 44 | 85.7 Ų | 85.7 | 24% | 0.235 | 44% | 0.442 | C | S | . | . | trans | -97.9 | 113.3 | 170.4 | -175.2 | 17.8 | 0 | 0 | 0 | 111.4 | E191 L192 E226 | N189-E191 VanDerWaalsContact C-N 3.33Å; N189-E191 WeakPolarHBondContact OD1-CB 3.24Å; N189-E191 PolarHBondContact OD1-N 2.87Å; N189-L192 HydrophobicContact CB-CD1 4.31Å; N189-L192 HydrophobicContact CB-CD2 4.24Å; N189-L192 HydrophobicContact CB-CG 3.96Å; N189-L192 WeakPolarHBondContact ND2-CD2 3.46Å; N189-L192 WeakPolarHBondContact O-CG 3.46Å; N189-E226 PolarHBondContact N-OE2 2.89Å | ||
| 190 | S | 89.9 | Confident | 86.2 | Confident | 98 Ų | 98 | 81.4 Ų | 81.4 | 69% | 0.685 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -25.8 | 174.1 | 48.7 | 0 | 0 | 0 | 0 | 113.4 | L192 R197 | S190-L192 VanDerWaalsContact C-N 3.28Å; S190-L192 PolarHBondContact O-N 2.81Å; S190-R197 PolarHBondContact O-NH1 2.83Å |
| 191 | E | 92.3 | Very high | 87.9 | Confident | 163 Ų | 163 | 77.9 Ų | 77.9 | 76% | 0.762 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | 5.7 | -173.4 | -55.4 | -175.3 | 159.7 | 0 | 0 | 114.6 | N189 | N189-E191 VanDerWaalsContact C-N 3.33Å; N189-E191 WeakPolarHBondContact OD1-CB 3.24Å; N189-E191 PolarHBondContact OD1-N 2.87Å |
| 192 | L | 94.8 | Very high | 89.6 | Confident | 3 Ų | 3 | 71.8 Ų | 71.8 | 2% | 0.016 | 37% | 0.369 | C | S | . | . | trans | -62.4 | 144.6 | 174.2 | -61.2 | 172.5 | 0 | 0 | 0 | 110.5 | F187 N189 S190 Q196 R197 T222 E226 | F187-L192 HydrophobicContact CD1-CD1 3.8Å; F187-L192 HydrophobicContact CE1-CD1 4.44Å; F187-L192 HydrophobicContact CG-CD1 4.41Å; N189-L192 HydrophobicContact CB-CD1 4.31Å; N189-L192 HydrophobicContact CB-CD2 4.24Å; N189-L192 HydrophobicContact CB-CG 3.96Å; N189-L192 WeakPolarHBondContact ND2-CD2 3.46Å; N189-L192 WeakPolarHBondContact O-CG 3.46Å; S190-L192 VanDerWaalsContact C-N 3.28Å; S190-L192 PolarHBondContact O-N 2.81Å; L192-Q196 HydrophobicContact CB-CB 4.08Å; L192-Q196 HydrophobicContact CD2-CB 4.22Å; L192-R197 HydrophobicContact CB-CG 4.07Å; L192-R197 PolarHBondContact O-NH1 3.01Å; L192-R197 PolarHBondContact O-NH2 3.03Å; L192-T222 HydrophobicContact CD2-CG2 3.94Å; L192-E226 HydrophobicContact CD1-CB 4.23Å; L192-E226 HydrophobicContact CD1-CG 3.78Å | ||
| 193 | D | 96.3 | Very high | 91.4 | Very high | 16 Ų | 16 | 66.2 Ų | 66.2 | 9% | 0.086 | 33% | 0.33 | C | S | . | . | trans | -80.1 | 171 | 166.7 | 65.1 | 77.1 | 0 | 0 | 0 | 112.1 | S195 Q196 R197 V440 Y442 | D193-S195 VanDerWaalsContact C-N 3.32Å; D193-S195 PolarHBondContact O-N 2.86Å; D193-S195 WeakPolarHBondContact OD1-CA 3.49Å; D193-S195 VanDerWaalsContact OD1-CB 3.3Å; D193-S195 WeakPolarHBondContact OD1-CB 3.3Å; D193-S195 PolarHBondContact OD1-N 2.79Å; D193-S195 PolarHBondContact OD1-OG 3.42Å; D193-Q196 WeakPolarHBondContact O-CB 3.34Å; D193-Q196 PolarHBondContact O-N 3.02Å; D193-Q196 VanDerWaalsContact O-N 3.12Å; D193-Q196 PolarHBondContact OD1-N 2.83Å; D193-Q196 VanDerWaalsContact OD2-CG 3.23Å; D193-Q196 WeakPolarHBondContact OD2-CG 3.13Å; D193-Q196 PolarHBondContact OD2-NE2 3.39Å; D193-Q196 PolarHBondContact OD2-OE1 2.84Å; D193-R197 WeakPolarHBondContact O-CG 3.33Å; D193-R197 PolarHBondContact O-N 3.45Å; D193-V440 HydrophobicContact CB-CB 4.28Å; D193-V440 HydrophobicContact CB-CG2 4.04Å; D193-Y442 WeakPolarHBondContact CB-OH 3.39Å; D193-Y442 PolarHBondContact OD2-OH 3.31Å; D193-Y442 VanDerWaalsContact OD2-OH 3.11Å | ||
| 194 | D | 96.3 | Very high | 93 | Very high | 118 Ų | 118 | 62 Ų | 62 | 63% | 0.631 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -68.1 | -30.2 | -174 | -56.4 | -34 | 0 | 0 | 0 | 112.8 | Q196 R197 E198 | D194-Q196 VanDerWaalsContact C-N 3.33Å; D194-R197 PolarHBondContact O-N 2.83Å; D194-R197 IonicContact OD1-CZ 3.31Å; D194-R197 IonicContact OD1-NE 2.69Å; D194-R197 PolarHBondContact OD1-NE 3.17Å; D194-R197 IonicContact OD1-NH2 3.59Å; D194-E198 WeakPolarHBondContact O-CB 3.47Å; D194-E198 PolarHBondContact O-N 3.23Å |
| 195 | S | 96.9 | Very high | 94 | Very high | 13 Ų | 13 | 54.3 Ų | 54.3 | 9% | 0.091 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68.6 | -34.9 | 173.2 | 80 | 0 | 0 | 0 | 0 | 111.6 | D193 A199 L438 T439 | D193-S195 VanDerWaalsContact C-N 3.32Å; D193-S195 PolarHBondContact O-N 2.86Å; D193-S195 WeakPolarHBondContact OD1-CA 3.49Å; D193-S195 VanDerWaalsContact OD1-CB 3.3Å; D193-S195 WeakPolarHBondContact OD1-CB 3.3Å; D193-S195 PolarHBondContact OD1-N 2.79Å; D193-S195 PolarHBondContact OD1-OG 3.42Å; S195-A199 VanDerWaalsContact O-CB 3.26Å; S195-A199 WeakPolarHBondContact O-CB 3.32Å; S195-A199 PolarHBondContact O-N 3.1Å; S195-L438 WeakPolarHBondContact O-CD2 3.24Å; S195-T439 WeakPolarHBondContact CB-OG1 3.41Å; S195-T439 PolarHBondContact OG-N 3.13Å; S195-T439 VanDerWaalsContact OG-N 3.13Å |
| 196 | Q | 97.8 | Very high | 94.4 | Very high | 7 Ų | 7 | 52.5 Ų | 52.5 | 3% | 0.033 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -70.5 | -43.3 | 172.3 | -64.8 | 172.9 | 1.3 | 0 | 0 | 111.6 | L192 D193 D194 A199 V200 T218 T223 L438 | L192-Q196 HydrophobicContact CB-CB 4.08Å; L192-Q196 HydrophobicContact CD2-CB 4.22Å; D193-Q196 WeakPolarHBondContact O-CB 3.34Å; D193-Q196 PolarHBondContact O-N 3.02Å; D193-Q196 VanDerWaalsContact O-N 3.12Å; D193-Q196 PolarHBondContact OD1-N 2.83Å; D193-Q196 VanDerWaalsContact OD2-CG 3.23Å; D193-Q196 WeakPolarHBondContact OD2-CG 3.13Å; D193-Q196 PolarHBondContact OD2-NE2 3.39Å; D193-Q196 PolarHBondContact OD2-OE1 2.84Å; D194-Q196 VanDerWaalsContact C-N 3.33Å; Q196-A199 PolarHBondContact O-N 3.04Å; Q196-V200 VanDerWaalsContact O-CG2 3.23Å; Q196-V200 WeakPolarHBondContact O-CG2 3.5Å; Q196-V200 PolarHBondContact O-N 3.02Å; Q196-T218 PolarHBondContact NE2-O 3.45Å; Q196-T223 HydrophobicContact CB-CG2 4.29Å; Q196-L438 HydrophobicContact CB-CD2 4.43Å; Q196-L438 HydrophobicContact CG-CD1 4.42Å; Q196-L438 HydrophobicContact CG-CD2 3.95Å |
| 197 | R | 96.3 | Very high | 94.5 | Very high | 77 Ų | 77 | 50.7 Ų | 50.7 | 29% | 0.291 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62 | -41.9 | 175.8 | -72.3 | -169.6 | -113.7 | -88 | 2.1 | 112.1 | F187 S190 L192 D193 D194 S201 | F187-R197 HydrophobicContact CD1-CG 4.49Å; F187-R197 HydrophobicContact CD2-CG 4.46Å; F187-R197 HydrophobicContact CE1-CB 4.11Å; F187-R197 HydrophobicContact CE1-CG 3.98Å; F187-R197 HydrophobicContact CE2-CB 4.34Å; F187-R197 HydrophobicContact CE2-CG 3.97Å; F187-R197 HydrophobicContact CZ-CB 3.71Å; F187-R197 HydrophobicContact CZ-CG 3.71Å; S190-R197 PolarHBondContact O-NH1 2.83Å; L192-R197 HydrophobicContact CB-CG 4.07Å; L192-R197 PolarHBondContact O-NH1 3.01Å; L192-R197 PolarHBondContact O-NH2 3.03Å; D193-R197 WeakPolarHBondContact O-CG 3.33Å; D193-R197 PolarHBondContact O-N 3.45Å; D194-R197 PolarHBondContact O-N 2.83Å; D194-R197 IonicContact OD1-CZ 3.31Å; D194-R197 IonicContact OD1-NE 2.69Å; D194-R197 PolarHBondContact OD1-NE 3.17Å; D194-R197 IonicContact OD1-NH2 3.59Å; R197-S201 WeakPolarHBondContact O-CB 3.23Å; R197-S201 PolarHBondContact O-N 3.13Å; R197-S201 PolarHBondContact O-OG 3.01Å |
| 198 | E | 95.4 | Very high | 94.6 | Very high | 101 Ų | 101 | 49.1 Ų | 49.1 | 47% | 0.472 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.5 | -49.4 | 174.6 | -165.2 | -160.8 | 166.6 | 0 | 0 | 110.5 | D194 V200 S201 F202 R436 | D194-E198 WeakPolarHBondContact O-CB 3.47Å; D194-E198 PolarHBondContact O-N 3.23Å; E198-V200 VanDerWaalsContact C-N 3.31Å; E198-V200 PolarHBondContact O-N 3.18Å; E198-S201 PolarHBondContact O-N 3.43Å; E198-F202 WeakPolarHBondContact O-CB 3Å; E198-F202 PolarHBondContact O-N 3.2Å; E198-R436 WeakPolarHBondContact OE1-CD 3.36Å; E198-R436 IonicContact OE1-CZ 3.77Å; E198-R436 IonicContact OE1-NE 2.78Å; E198-R436 PolarHBondContact OE1-NE 3.32Å; E198-R436 IonicContact OE1-NH2 3.18Å |
| 199 | A | 97.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.008 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.8 | -38 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | S195 Q196 A203 V212 T223 R436 L438 | S195-A199 VanDerWaalsContact O-CB 3.26Å; S195-A199 WeakPolarHBondContact O-CB 3.32Å; S195-A199 PolarHBondContact O-N 3.1Å; Q196-A199 PolarHBondContact O-N 3.04Å; A199-A203 WeakPolarHBondContact O-CB 3.33Å; A199-A203 PolarHBondContact O-N 3.5Å; A199-V212 HydrophobicContact CB-CG1 4.49Å; A199-T223 HydrophobicContact CB-CG2 3.97Å; A199-R436 HydrophobicContact CB-CB 3.96Å; A199-L438 HydrophobicContact CB-CD2 3.71Å |
| 200 | V | 96.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.6 | -55.8 | 172 | 172.9 | 0 | 0 | 0 | 0 | 110.1 | F185 F187 Q196 E198 F202 A203 L204 T223 E226 I227 | F185-V200 HydrophobicContact CE2-CG1 3.91Å; F185-V200 HydrophobicContact CZ-CG1 4.03Å; F187-V200 HydrophobicContact CD1-CG1 4.31Å; F187-V200 HydrophobicContact CE1-CB 3.98Å; F187-V200 HydrophobicContact CE1-CG1 3.85Å; F187-V200 HydrophobicContact CE1-CG2 4.49Å; Q196-V200 VanDerWaalsContact O-CG2 3.23Å; Q196-V200 WeakPolarHBondContact O-CG2 3.5Å; Q196-V200 PolarHBondContact O-N 3.02Å; E198-V200 VanDerWaalsContact C-N 3.31Å; E198-V200 PolarHBondContact O-N 3.18Å; V200-F202 VanDerWaalsContact C-N 3.28Å; V200-F202 PolarHBondContact O-N 3.43Å; V200-A203 PolarHBondContact O-N 3.31Å; V200-L204 HydrophobicContact CG1-CD1 4.14Å; V200-L204 HydrophobicContact CG1-CG 4.35Å; V200-L204 WeakPolarHBondContact O-CG 3.42Å; V200-L204 PolarHBondContact O-N 3.06Å; V200-T223 HydrophobicContact CG2-CG2 3.85Å; V200-E226 HydrophobicContact CG1-CG 4.01Å; V200-E226 HydrophobicContact CG2-CB 4Å; V200-E226 HydrophobicContact CG2-CG 3.75Å; V200-I227 HydrophobicContact CB-CG1 4.26Å; V200-I227 HydrophobicContact CG1-CG1 4.32Å; V200-I227 HydrophobicContact CG2-CG1 3.97Å |
| 201 | S | 94.7 | Very high | 95.5 | Very high | 46 Ų | 46 | 37.1 Ų | 37.1 | 32% | 0.322 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -56.3 | -43.4 | -176.9 | -53.8 | 0 | 0 | 0 | 0 | 112.1 | R197 E198 L204 S205 | R197-S201 WeakPolarHBondContact O-CB 3.23Å; R197-S201 PolarHBondContact O-N 3.13Å; R197-S201 PolarHBondContact O-OG 3.01Å; E198-S201 PolarHBondContact O-N 3.43Å; S201-L204 PolarHBondContact O-N 3.19Å; S201-S205 PolarHBondContact O-N 3.01Å; S201-S205 VanDerWaalsContact O-N 3.08Å |
| 202 | F | 95.1 | Very high | 95.8 | Very high | 24 Ų | 24 | 29.5 Ų | 29.5 | 11% | 0.105 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.7 | -49.1 | 173.9 | -179.2 | -90.5 | 0 | 0 | 0 | 112.1 | E198 V200 L204 S205 Q206 A210 S433 V434 R436 | E198-F202 WeakPolarHBondContact O-CB 3Å; E198-F202 PolarHBondContact O-N 3.2Å; V200-F202 VanDerWaalsContact C-N 3.28Å; V200-F202 PolarHBondContact O-N 3.43Å; F202-L204 PolarHBondContact O-N 3.23Å; F202-S205 PolarHBondContact O-N 3.29Å; F202-S205 VanDerWaalsContact O-N 3.13Å; F202-S205 PolarHBondContact O-OG 2.7Å; F202-S205 VanDerWaalsContact O-OG 3.06Å; F202-Q206 HydrophobicContact CD1-CG 4.19Å; F202-Q206 HydrophobicContact CE1-CG 3.77Å; F202-Q206 HydrophobicContact CZ-CG 3.98Å; F202-Q206 WeakPolarHBondContact O-CG 3.35Å; F202-Q206 PolarHBondContact O-N 3.48Å; F202-Q206 VanDerWaalsContact O-N 3.13Å; F202-A210 HydrophobicContact CE1-CB 4.38Å; F202-S433 WeakPolarHBondContact CZ-O 3.31Å; F202-V434 WeakPolarHBondContact CE1-O 3.39Å; F202-R436 HydrophobicContact CB-CG 3.89Å; F202-R436 HydrophobicContact CD1-CG 3.7Å; F202-R436 HydrophobicContact CD2-CG 4.15Å; F202-R436 HydrophobicContact CE1-CG 4.27Å; F202-R436 HydrophobicContact CG-CG 3.64Å |
| 203 | A | 95.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.2 | -30.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A199 V200 A210 I227 K394 I396 | A199-A203 WeakPolarHBondContact O-CB 3.33Å; A199-A203 PolarHBondContact O-N 3.5Å; V200-A203 PolarHBondContact O-N 3.31Å; A203-A210 HydrophobicContact CB-CB 4Å; A203-I227 HydrophobicContact CB-CD1 3.59Å; A203-I227 HydrophobicContact CB-CG1 4.01Å; A203-I227 HydrophobicContact CB-CG2 4.37Å; A203-K394 VanDerWaalsContact O-CE 3.27Å; A203-K394 WeakPolarHBondContact O-CE 3.22Å; A203-K394 PolarHBondContact O-NZ 3.45Å; A203-I396 HydrophobicContact CB-CD1 4.36Å |
| 204 | L | 94.1 | Very high | 96 | Very high | 16 Ų | 16 | 28.9 Ų | 28.9 | 8% | 0.084 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -71.4 | -42.1 | 172.5 | -60.7 | -177.1 | 0 | 0 | 0 | 111.8 | F185 V200 S201 F202 Q206 Q230 W371 K394 | F185-L204 HydrophobicContact CD1-CD1 3.91Å; F185-L204 HydrophobicContact CD2-CD1 4.11Å; F185-L204 HydrophobicContact CE1-CD1 3.62Å; F185-L204 HydrophobicContact CE2-CD1 3.81Å; F185-L204 HydrophobicContact CG-CD1 4.19Å; F185-L204 HydrophobicContact CZ-CD1 3.57Å; V200-L204 HydrophobicContact CG1-CD1 4.14Å; V200-L204 HydrophobicContact CG1-CG 4.35Å; V200-L204 WeakPolarHBondContact O-CG 3.42Å; V200-L204 PolarHBondContact O-N 3.06Å; S201-L204 PolarHBondContact O-N 3.19Å; F202-L204 PolarHBondContact O-N 3.23Å; L204-Q206 PolarHBondContact O-N 3.32Å; L204-Q230 HydrophobicContact CD1-CB 3.77Å; L204-Q230 HydrophobicContact CD1-CG 4.08Å; L204-Q230 HydrophobicContact CD2-CB 3.81Å; L204-Q230 HydrophobicContact CG-CB 4.43Å; L204-W371 HydrophobicContact CD2-CH2 3.52Å; L204-W371 HydrophobicContact CD2-CZ3 3.85Å; L204-K394 PolarHBondContact O-NZ 3.29Å; L204-K394 VanDerWaalsContact O-NZ 3.1Å |
| 205 | S | 92.9 | Very high | 96 | Very high | 39 Ų | 39 | 23.4 Ų | 23.4 | 27% | 0.273 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -71.7 | -27.5 | -176.3 | 74.2 | 0 | 0 | 0 | 0 | 114.5 | H179 S201 F202 | H179-S205 PolarHBondContact N-O 2.81Å; H179-S205 PolarHBondContact ND1-O 3.32Å; S201-S205 PolarHBondContact O-N 3.01Å; S201-S205 VanDerWaalsContact O-N 3.08Å; F202-S205 PolarHBondContact O-N 3.29Å; F202-S205 VanDerWaalsContact O-N 3.13Å; F202-S205 PolarHBondContact O-OG 2.7Å; F202-S205 VanDerWaalsContact O-OG 3.06Å |
| 206 | Q | 93.6 | Very high | 95.9 | Very high | 12 Ų | 12 | 23 Ų | 23 | 6% | 0.056 | 11% | 0.11 | C | C | . | . | B | Isolated β-bridge | trans | -63 | 145.9 | 176 | -66.6 | -58 | -26.8 | 0 | 0 | 113 | S177 F202 L204 L209 A210 K394 | S177-Q206 PolarHBondContact O-OE1 3.15Å; F202-Q206 HydrophobicContact CD1-CG 4.19Å; F202-Q206 HydrophobicContact CE1-CG 3.77Å; F202-Q206 HydrophobicContact CZ-CG 3.98Å; F202-Q206 WeakPolarHBondContact O-CG 3.35Å; F202-Q206 PolarHBondContact O-N 3.48Å; F202-Q206 VanDerWaalsContact O-N 3.13Å; L204-Q206 PolarHBondContact O-N 3.32Å; Q206-L209 WeakPolarHBondContact CB-O 3.08Å; Q206-L209 WeakPolarHBondContact CG-O 3.1Å; Q206-A210 HydrophobicContact CB-CB 4.16Å; Q206-A210 HydrophobicContact CG-CB 4.05Å; Q206-K394 WeakPolarHBondContact O-CE 3.25Å; Q206-K394 PolarHBondContact O-NZ 2.9Å |
| 207 | R | 92.4 | Very high | 95.7 | Very high | 116 Ų | 116 | 23.4 Ų | 23.4 | 44% | 0.438 | 12% | 0.116 | S | C | . | . | S | Bend | trans | -90.2 | -55 | 176.8 | -75.7 | 168.6 | 164.4 | -174.5 | 4.2 | 112.5 | S177 H179 K394 | S177-R207 VanDerWaalsContact O-CB 3.29Å; S177-R207 WeakPolarHBondContact O-CB 3.4Å; S177-R207 PolarHBondContact O-N 2.92Å; S177-R207 WeakPolarHBondContact OG-CD 3.43Å; H179-R207 WeakPolarHBondContact CE1-CG 3.35Å; R207-K394 VanDerWaalsContact O-CB 3.3Å; R207-K394 WeakPolarHBondContact O-CB 3.3Å; R207-K394 WeakPolarHBondContact O-CD 3.44Å; R207-K394 VanDerWaalsContact O-CG 3.27Å; R207-K394 WeakPolarHBondContact O-CG 3.22Å |
| 208 | E | 94.9 | Very high | 95.7 | Very high | 27 Ų | 27 | 19.8 Ų | 19.8 | 13% | 0.126 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -97.7 | -52.1 | -175.6 | -57.3 | 78.6 | -163.9 | 0 | 0 | 112.8 | L166 V169 S177 K394 C395 | L166-E208 HydrophobicContact CD1-CB 4.27Å; L166-E208 WeakPolarHBondContact CD1-O 3.43Å; V169-E208 HydrophobicContact CB-CB 4.35Å; V169-E208 HydrophobicContact CG2-CB 4.05Å; V169-E208 HydrophobicContact CG2-CG 3.91Å; S177-E208 PolarHBondContact N-OE2 2.94Å; S177-E208 PolarHBondContact OG-OE1 3.36Å; S177-E208 PolarHBondContact OG-OE2 3.14Å; E208-K394 CarbonylContact O-C 3.6Å; E208-K394 WeakPolarHBondContact O-CA 3.41Å; E208-C395 PolarHBondContact O-N 3.28Å |
| 209 | L | 96.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 130.4 | -166.7 | 172.6 | 63.5 | 0 | 0 | 0 | 111.9 | V169 L170 Q206 V211 C395 L397 L426 Y430 V434 | V169-L209 HydrophobicContact CG1-CB 4.31Å; V169-L209 HydrophobicContact CG1-CD2 4.36Å; L170-L209 HydrophobicContact CD2-CD1 4.25Å; L170-L209 HydrophobicContact CD2-CD2 4.19Å; Q206-L209 WeakPolarHBondContact CB-O 3.08Å; Q206-L209 WeakPolarHBondContact CG-O 3.1Å; L209-V211 HydrophobicContact CD1-CG2 3.98Å; L209-V211 HydrophobicContact CG-CG2 4.34Å; L209-C395 VanDerWaalsContact CD1-SG 3.58Å; L209-L397 HydrophobicContact CD1-CD1 4.09Å; L209-L397 HydrophobicContact CD1-CG 4.2Å; L209-L426 HydrophobicContact CD1-CD1 4.18Å; L209-L426 HydrophobicContact CD2-CD1 4.06Å; L209-L426 HydrophobicContact CD2-CD2 4.13Å; L209-L426 HydrophobicContact CD2-CG 4.49Å; L209-Y430 HydrophobicContact CD2-CD2 4.44Å; L209-V434 HydrophobicContact CD2-CB 4.23Å; L209-V434 HydrophobicContact CD2-CG1 4.1Å; L209-V434 HydrophobicContact CD2-CG2 4.21Å; L209-V434 HydrophobicContact CG-CB 4.27Å; L209-V434 HydrophobicContact CG-CG1 4.37Å |
| 210 | A | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 144.8 | 162.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | F202 A203 Q206 C395 I396 L397 | F202-A210 HydrophobicContact CE1-CB 4.38Å; A203-A210 HydrophobicContact CB-CB 4Å; Q206-A210 HydrophobicContact CB-CB 4.16Å; Q206-A210 HydrophobicContact CG-CB 4.05Å; A210-C395 PolarHBondContact N-O 3.28Å; A210-C395 VanDerWaalsContact N-O 3.09Å; A210-I396 HydrophobicContact CB-CG1 4.46Å; A210-I396 CarbonylContact O-C 3.55Å; A210-I396 WeakPolarHBondContact O-CA 3.36Å; A210-L397 PolarHBondContact O-N 3.24Å |
| 211 | V | 98.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 17.7 Ų | 17.7 | 1% | 0.006 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 118.3 | 179 | -177.2 | 0 | 0 | 0 | 0 | 109.9 | L209 L397 M423 I427 V434 V435 R436 | L209-V211 HydrophobicContact CD1-CG2 3.98Å; L209-V211 HydrophobicContact CG-CG2 4.34Å; V211-L397 CarbonylContact C-O 3.56Å; V211-L397 VanDerWaalsContact CA-O 3.29Å; V211-L397 WeakPolarHBondContact CA-O 3.4Å; V211-L397 HydrophobicContact CG2-CB 4.37Å; V211-M423 HydrophobicContact CG1-CE 3.74Å; V211-M423 HydrophobicContact CG1-CG 4.05Å; V211-M423 HydrophobicContact CG1-SD 4.49Å; V211-I427 HydrophobicContact CG1-CD1 4.29Å; V211-I427 HydrophobicContact CG1-CG1 4.15Å; V211-V434 WeakPolarHBondContact CB-O 3.21Å; V211-V434 HydrophobicContact CG2-CG2 4.01Å; V211-V434 PolarHBondContact N-O 2.91Å; V211-V435 HydrophobicContact CB-CG2 4Å; V211-V435 HydrophobicContact CG1-CG2 4.15Å; V211-V435 CarbonylContact O-C 3.57Å; V211-V435 WeakPolarHBondContact O-CA 3.34Å; V211-R436 PolarHBondContact O-N 3.39Å |
| 212 | V | 98.3 | Very high | 95.3 | Very high | 3 Ų | 3 | 17.5 Ų | 17.5 | 2% | 0.018 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 102.7 | 173.5 | -177.3 | 0 | 0 | 0 | 0 | 108.5 | A199 G214 T223 I227 L397 A398 G399 L438 | A199-V212 HydrophobicContact CB-CG1 4.49Å; V212-G214 PolarHBondContact O-N 2.76Å; V212-T223 HydrophobicContact CG1-CG2 4.47Å; V212-I227 HydrophobicContact CG2-CD1 3.95Å; V212-L397 PolarHBondContact N-O 3.34Å; V212-A398 HydrophobicContact CB-CB 4.31Å; V212-A398 WeakPolarHBondContact O-CA 3.26Å; V212-G399 PolarHBondContact O-N 3.15Å; V212-L438 HydrophobicContact CG1-CD1 4.13Å; V212-L438 HydrophobicContact CG1-CD2 4.4Å; V212-L438 HydrophobicContact CG1-CG 4.17Å |
| 213 | H | 97.9 | Very high | 95.4 | Very high | 5 Ų | 5 | 16.3 Ų | 16.3 | 2% | 0.023 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 110.8 | 171 | -176.6 | -164.8 | 0 | 0 | 0 | 108.6 | P215 D400 Y401 M423 V435 R436 M437 L438 | H213-P215 VanDerWaalsContact O-CD 3.25Å; H213-P215 WeakPolarHBondContact O-CD 3.41Å; H213-D400 IonicContact CD2-OD1 3.79Å; H213-D400 IonicContact CE1-OD1 3.16Å; H213-D400 IonicContact NE2-OD1 2.85Å; H213-D400 PolarHBondContact NE2-OD1 3.08Å; H213-Y401 AromaticContact CE1-CD1 3.84Å; H213-Y401 AromaticContact CE1-CE1 3.41Å; H213-Y401 VanDerWaalsContact CE1-CE1 3.41Å; H213-Y401 WeakPolarHBondContact CE1-CE1 3.47Å; H213-Y401 AromaticContact ND1-CE1 3.71Å; H213-Y401 AromaticContact NE2-CD1 3.84Å; H213-Y401 AromaticContact NE2-CE1 3.9Å; H213-M423 HydrophobicContact CB-CE 4.22Å; H213-V435 HydrophobicContact CB-CG1 4Å; H213-R436 PolarHBondContact N-O 2.67Å; H213-M437 HydrophobicContact CB-CB 4.18Å; H213-M437 HydrophobicContact CB-CG 4.36Å; H213-M437 CarbonylContact O-C 3.42Å; H213-M437 VanDerWaalsContact O-CA 3.31Å; H213-M437 WeakPolarHBondContact O-CA 3.36Å; H213-L438 PolarHBondContact O-N 2.93Å |
| 214 | G | 96.6 | Very high | 95.5 | Very high | 1 Ų | 1 | 16.4 Ų | 16.4 | 1% | 0.01 | 9% | 0.091 | C | C | . | . | trans | -116.6 | 88.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | V212 G399 | V212-G214 PolarHBondContact O-N 2.76Å; G214-G399 PolarHBondContact N-O 3.01Å | ||
| 215 | P | 96.4 | Very high | 95.6 | Very high | 3 Ų | 3 | 16.1 Ų | 16.1 | 2% | 0.019 | 9% | 0.09 | C | C | . | . | trans | -54.6 | 166.9 | 173.9 | -24.5 | 31.9 | 0 | 0 | 0 | 114.3 | H213 G217 T218 M437 L438 Y457 L461 | H213-P215 VanDerWaalsContact O-CD 3.25Å; H213-P215 WeakPolarHBondContact O-CD 3.41Å; P215-G217 PolarHBondContact O-N 3.42Å; P215-T218 HydrophobicContact CB-CG2 3.77Å; P215-T218 HydrophobicContact CG-CG2 4.17Å; P215-T218 WeakPolarHBondContact O-CB 3.27Å; P215-T218 WeakPolarHBondContact O-CG2 3.47Å; P215-T218 PolarHBondContact O-N 2.96Å; P215-T218 VanDerWaalsContact O-N 3.17Å; P215-T218 PolarHBondContact O-OG1 3.12Å; P215-M437 HydrophobicContact CG-CE 3.62Å; P215-M437 HydrophobicContact CG-CG 4.09Å; P215-M437 HydrophobicContact CG-SD 4.48Å; P215-L438 WeakPolarHBondContact CD-O 3.37Å; P215-Y457 HydrophobicContact CB-CD1 4.03Å; P215-Y457 HydrophobicContact CB-CE1 3.79Å; P215-Y457 HydrophobicContact CG-CD1 3.92Å; P215-Y457 HydrophobicContact CG-CE1 4.01Å; P215-L461 HydrophobicContact CB-CD1 4.24Å; P215-L461 HydrophobicContact CB-CD2 3.64Å; P215-L461 HydrophobicContact CG-CD2 3.71Å | ||
| 216 | P | 94.8 | Very high | 95.8 | Very high | 4 Ų | 4 | 14.5 Ų | 14.5 | 3% | 0.026 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | 126.7 | -177 | -25.8 | 34.8 | 0 | 0 | 0 | 113.2 | T218 Q403 M444 Y457 T602 | P216-T218 VanDerWaalsContact C-N 3.29Å; P216-T218 PolarHBondContact O-N 3.49Å; P216-Q403 HydrophobicContact CG-CG 4.46Å; P216-M444 HydrophobicContact CB-CE 4.27Å; P216-Y457 WeakPolarHBondContact CD-OH 3.14Å; P216-T602 HydrophobicContact CB-CG2 4.13Å; P216-T602 HydrophobicContact CG-CG2 3.91Å |
| 217 | G | 93.8 | Very high | 96 | Very high | 16 Ų | 16 | 13.9 Ų | 13.9 | 17% | 0.165 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.3 | -2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | P215 G219 Y442 | P215-G217 PolarHBondContact O-N 3.42Å; G217-G219 PolarHBondContact O-N 3.41Å; G217-G219 VanDerWaalsContact O-N 3.14Å; G217-Y442 PolarHBondContact O-N 2.75Å |
| 218 | T | 96.2 | Very high | 96.2 | Very high | 1 Ų | 1 | 8.4 Ų | 8.4 | 1% | 0.006 | 6% | 0.055 | C | C | . | . | S | Bend | trans | -78 | 9.6 | -174.1 | 60.2 | 0 | 0 | 0 | 0 | 116.2 | Q196 P215 P216 K220 L438 V440 Q441 L461 | Q196-T218 PolarHBondContact NE2-O 3.45Å; P215-T218 HydrophobicContact CB-CG2 3.77Å; P215-T218 HydrophobicContact CG-CG2 4.17Å; P215-T218 WeakPolarHBondContact O-CB 3.27Å; P215-T218 WeakPolarHBondContact O-CG2 3.47Å; P215-T218 PolarHBondContact O-N 2.96Å; P215-T218 VanDerWaalsContact O-N 3.17Å; P215-T218 PolarHBondContact O-OG1 3.12Å; P216-T218 VanDerWaalsContact C-N 3.29Å; P216-T218 PolarHBondContact O-N 3.49Å; T218-K220 VanDerWaalsContact C-N 3.32Å; T218-K220 PolarHBondContact O-N 3.44Å; T218-L438 HydrophobicContact CG2-CB 4.27Å; T218-L438 WeakPolarHBondContact O-CD1 3.44Å; T218-V440 VanDerWaalsContact CA-O 3.24Å; T218-V440 WeakPolarHBondContact CA-O 3.5Å; T218-Q441 HydrophobicContact CG2-CB 4.05Å; T218-L461 HydrophobicContact CG2-CD2 4.39Å |
| 219 | G | 93.9 | Very high | 96.2 | Very high | 19 Ų | 19 | 7.7 Ų | 7.7 | 20% | 0.196 | 5% | 0.052 | C | C | . | . | trans | 73 | 15.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | G217 T221 T222 T223 | G217-G219 PolarHBondContact O-N 3.41Å; G217-G219 VanDerWaalsContact O-N 3.14Å; G219-T221 VanDerWaalsContact C-N 3.33Å; G219-T221 PolarHBondContact O-N 3.31Å; G219-T221 VanDerWaalsContact O-N 3.07Å; G219-T222 VanDerWaalsContact O-CA 3.25Å; G219-T222 WeakPolarHBondContact O-CA 3.28Å; G219-T222 WeakPolarHBondContact O-CB 3.27Å; G219-T222 PolarHBondContact O-N 3.25Å; G219-T222 PolarHBondContact O-OG1 3.4Å; G219-T223 PolarHBondContact O-N 3.12Å; G219-T223 VanDerWaalsContact O-N 3.13Å; G219-T223 PolarHBondContact O-OG1 2.65Å | ||
| 220 | K | 94.9 | Very high | 96.2 | Very high | 17 Ų | 17 | 7.8 Ų | 7.8 | 7% | 0.074 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -32.8 | -56.6 | 177 | -174 | -176 | 68.1 | -149.1 | 0 | 115.5 | T218 T222 T223 V224 D375 E376 A398 L438 | T218-K220 VanDerWaalsContact C-N 3.32Å; T218-K220 PolarHBondContact O-N 3.44Å; K220-T222 PolarHBondContact O-N 2.69Å; K220-T223 WeakPolarHBondContact O-CB 3.28Å; K220-T223 PolarHBondContact O-N 2.99Å; K220-V224 WeakPolarHBondContact O-CG2 3.45Å; K220-V224 PolarHBondContact O-N 3.46Å; K220-D375 WeakPolarHBondContact CE-OD1 3.49Å; K220-E376 IonicContact NZ-OE1 2.69Å; K220-E376 PolarHBondContact NZ-OE1 3.17Å; K220-E376 IonicContact NZ-OE2 2.74Å; K220-E376 PolarHBondContact NZ-OE2 2.87Å; K220-A398 HydrophobicContact CD-CB 4.34Å; K220-A398 HydrophobicContact CG-CB 4.28Å; K220-L438 HydrophobicContact CB-CD1 4.34Å |
| 221 | T | 92.4 | Very high | 96 | Very high | 22 Ų | 22 | 7.8 Ų | 7.8 | 14% | 0.135 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -68.4 | -21.9 | -178.7 | -46.8 | 0 | 0 | 0 | 0 | 112.5 | G219 V225 L251 D375 | G219-T221 VanDerWaalsContact C-N 3.33Å; G219-T221 PolarHBondContact O-N 3.31Å; G219-T221 VanDerWaalsContact O-N 3.07Å; T221-V225 WeakPolarHBondContact O-CB 3.26Å; T221-V225 WeakPolarHBondContact O-CG2 3.47Å; T221-V225 PolarHBondContact O-N 3.3Å; T221-V225 VanDerWaalsContact O-N 3.15Å; T221-L251 HydrophobicContact CG2-CD2 3.63Å; T221-L251 HydrophobicContact CG2-CG 4.21Å; T221-D375 PolarHBondContact OG1-OD2 3.47Å |
| 222 | T | 95 | Very high | 95.8 | Very high | 41 Ų | 41 | 9.3 Ų | 9.3 | 25% | 0.252 | 6% | 0.061 | S | C | . | . | H | α-helix | trans | -69.9 | -49.5 | 169.4 | -45.6 | 0 | 0 | 0 | 0 | 109.9 | L192 G219 K220 V224 V225 E226 R254 | L192-T222 HydrophobicContact CD2-CG2 3.94Å; G219-T222 VanDerWaalsContact O-CA 3.25Å; G219-T222 WeakPolarHBondContact O-CA 3.28Å; G219-T222 WeakPolarHBondContact O-CB 3.27Å; G219-T222 PolarHBondContact O-N 3.25Å; G219-T222 PolarHBondContact O-OG1 3.4Å; K220-T222 PolarHBondContact O-N 2.69Å; T222-V224 VanDerWaalsContact C-N 3.34Å; T222-V224 PolarHBondContact O-N 3.01Å; T222-V225 PolarHBondContact O-N 2.74Å; T222-E226 PolarHBondContact O-N 3.01Å; T222-R254 PolarHBondContact OG1-NH1 2.88Å |
| 223 | T | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -57.7 | -45.5 | 175.5 | -38 | 0 | 0 | 0 | 0 | 111.7 | Q196 A199 V200 V212 G219 K220 V225 E226 I227 L438 | Q196-T223 HydrophobicContact CB-CG2 4.29Å; A199-T223 HydrophobicContact CB-CG2 3.97Å; V200-T223 HydrophobicContact CG2-CG2 3.85Å; V212-T223 HydrophobicContact CG1-CG2 4.47Å; G219-T223 PolarHBondContact O-N 3.12Å; G219-T223 VanDerWaalsContact O-N 3.13Å; G219-T223 PolarHBondContact O-OG1 2.65Å; K220-T223 WeakPolarHBondContact O-CB 3.28Å; K220-T223 PolarHBondContact O-N 2.99Å; T223-V225 VanDerWaalsContact C-N 3.34Å; T223-V225 PolarHBondContact O-N 2.72Å; T223-E226 PolarHBondContact O-N 3.01Å; T223-I227 HydrophobicContact CG2-CD1 4.34Å; T223-I227 VanDerWaalsContact O-CG1 3.31Å; T223-I227 WeakPolarHBondContact O-CG1 3.25Å; T223-I227 PolarHBondContact O-N 3.26Å; T223-L438 HydrophobicContact CG2-CD2 4.25Å; T223-L438 WeakPolarHBondContact OG1-CD1 3.14Å |
| 224 | V | 97.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.006 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.4 | -40.2 | 177.7 | 170.9 | 0 | 0 | 0 | 0 | 111.7 | K220 T222 I227 I228 L251 V373 A398 | K220-V224 WeakPolarHBondContact O-CG2 3.45Å; K220-V224 PolarHBondContact O-N 3.46Å; T222-V224 VanDerWaalsContact C-N 3.34Å; T222-V224 PolarHBondContact O-N 3.01Å; V224-I227 PolarHBondContact O-N 2.95Å; V224-I228 HydrophobicContact CG1-CD1 3.78Å; V224-I228 VanDerWaalsContact O-CD1 3.3Å; V224-I228 WeakPolarHBondContact O-CD1 3.37Å; V224-I228 WeakPolarHBondContact O-CG1 3.29Å; V224-I228 PolarHBondContact O-N 2.92Å; V224-L251 HydrophobicContact CG1-CD2 3.84Å; V224-V373 HydrophobicContact CG1-CG1 3.73Å; V224-A398 HydrophobicContact CG2-CB 3.38Å |
| 225 | V | 96.9 | Very high | 95.1 | Very high | 11 Ų | 11 | 20.9 Ų | 20.9 | 7% | 0.067 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.7 | -44.5 | 176.2 | 165.1 | 0 | 0 | 0 | 0 | 111.2 | T221 T222 T223 I227 I228 L229 L251 R254 L255 | T221-V225 WeakPolarHBondContact O-CB 3.26Å; T221-V225 WeakPolarHBondContact O-CG2 3.47Å; T221-V225 PolarHBondContact O-N 3.3Å; T221-V225 VanDerWaalsContact O-N 3.15Å; T222-V225 PolarHBondContact O-N 2.74Å; T223-V225 VanDerWaalsContact C-N 3.34Å; T223-V225 PolarHBondContact O-N 2.72Å; V225-I227 PolarHBondContact O-N 2.88Å; V225-I228 PolarHBondContact O-N 2.86Å; V225-L229 HydrophobicContact CG1-CD1 3.96Å; V225-L229 HydrophobicContact CG1-CG 4.36Å; V225-L229 VanDerWaalsContact O-CG 3.3Å; V225-L229 WeakPolarHBondContact O-CG 3.34Å; V225-L229 PolarHBondContact O-N 3.28Å; V225-L251 HydrophobicContact CG2-CD2 4.08Å; V225-R254 HydrophobicContact CG1-CB 4.42Å; V225-R254 HydrophobicContact CG2-CB 3.71Å; V225-L255 HydrophobicContact CG1-CD2 4.01Å; V225-L255 HydrophobicContact CG1-CG 4.47Å; V225-L255 HydrophobicContact CG2-CD2 4.41Å; V225-L255 HydrophobicContact CG2-CG 4.24Å |
| 226 | E | 96.8 | Very high | 95 | Very high | 4 Ų | 4 | 22.6 Ų | 22.6 | 2% | 0.019 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -57.8 | -48.4 | 174.7 | -177.4 | 67.1 | -146 | 0 | 0 | 111.4 | F187 F188 N189 L192 V200 T222 T223 I228 L229 Q230 | F187-E226 WeakPolarHBondContact CA-OE1 3.43Å; F187-E226 HydrophobicContact CD1-CG 4.19Å; F188-E226 PolarHBondContact N-OE1 2.99Å; F188-E226 PolarHBondContact N-OE2 3.24Å; N189-E226 PolarHBondContact N-OE2 2.89Å; L192-E226 HydrophobicContact CD1-CB 4.23Å; L192-E226 HydrophobicContact CD1-CG 3.78Å; V200-E226 HydrophobicContact CG1-CG 4.01Å; V200-E226 HydrophobicContact CG2-CB 4Å; V200-E226 HydrophobicContact CG2-CG 3.75Å; T222-E226 PolarHBondContact O-N 3.01Å; T223-E226 PolarHBondContact O-N 3.01Å; E226-I228 VanDerWaalsContact C-N 3.29Å; E226-I228 PolarHBondContact O-N 2.71Å; E226-L229 PolarHBondContact O-N 2.92Å; E226-L229 VanDerWaalsContact O-N 3.12Å; E226-Q230 HydrophobicContact CG-CG 4.47Å; E226-Q230 WeakPolarHBondContact O-CG 3.38Å; E226-Q230 PolarHBondContact O-N 2.7Å; E226-Q230 PolarHBondContact OE1-NE2 3.29Å |
| 227 | I | 96.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -54.3 | -44.7 | 176.5 | -71.3 | 165.5 | 0 | 0 | 0 | 111.5 | V200 A203 V212 T223 V224 V225 A231 W371 I396 | V200-I227 HydrophobicContact CB-CG1 4.26Å; V200-I227 HydrophobicContact CG1-CG1 4.32Å; V200-I227 HydrophobicContact CG2-CG1 3.97Å; A203-I227 HydrophobicContact CB-CD1 3.59Å; A203-I227 HydrophobicContact CB-CG1 4.01Å; A203-I227 HydrophobicContact CB-CG2 4.37Å; V212-I227 HydrophobicContact CG2-CD1 3.95Å; T223-I227 HydrophobicContact CG2-CD1 4.34Å; T223-I227 VanDerWaalsContact O-CG1 3.31Å; T223-I227 WeakPolarHBondContact O-CG1 3.25Å; T223-I227 PolarHBondContact O-N 3.26Å; V224-I227 PolarHBondContact O-N 2.95Å; V225-I227 PolarHBondContact O-N 2.88Å; I227-A231 PolarHBondContact O-N 2.86Å; I227-W371 HydrophobicContact CG2-CZ3 4.17Å; I227-I396 HydrophobicContact CG2-CD1 3.38Å |
| 228 | I | 97.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.4 | -43.2 | 178.6 | -66 | 158.2 | 0 | 0 | 0 | 110.9 | V224 V225 E226 Q230 A231 V232 V238 C240 L255 V347 V373 | V224-I228 HydrophobicContact CG1-CD1 3.78Å; V224-I228 VanDerWaalsContact O-CD1 3.3Å; V224-I228 WeakPolarHBondContact O-CD1 3.37Å; V224-I228 WeakPolarHBondContact O-CG1 3.29Å; V224-I228 PolarHBondContact O-N 2.92Å; V225-I228 PolarHBondContact O-N 2.86Å; E226-I228 VanDerWaalsContact C-N 3.29Å; E226-I228 PolarHBondContact O-N 2.71Å; I228-Q230 VanDerWaalsContact C-N 3.35Å; I228-Q230 PolarHBondContact O-N 3.46Å; I228-A231 WeakPolarHBondContact O-CB 3.5Å; I228-A231 PolarHBondContact O-N 3.38Å; I228-V232 HydrophobicContact CG2-CG2 4.48Å; I228-V232 WeakPolarHBondContact O-CG2 3.25Å; I228-V232 PolarHBondContact O-N 2.69Å; I228-V238 HydrophobicContact CG1-CG1 4.45Å; I228-V238 HydrophobicContact CG2-CG1 4.45Å; I228-C240 WeakPolarHBondContact CD1-SG 3.01Å; I228-L255 HydrophobicContact CB-CD2 4.07Å; I228-L255 HydrophobicContact CD1-CD1 4.27Å; I228-L255 HydrophobicContact CG2-CD1 4.33Å; I228-L255 HydrophobicContact CG2-CD2 3.69Å; I228-V347 HydrophobicContact CG2-CG1 4.09Å; I228-V347 HydrophobicContact CG2-CG2 3.61Å; I228-V373 HydrophobicContact CD1-CG1 4.38Å; I228-V373 HydrophobicContact CG1-CG2 4.05Å |
| 229 | L | 96.1 | Very high | 95.3 | Very high | 13 Ų | 13 | 23.7 Ų | 23.7 | 7% | 0.068 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.8 | -40 | 179 | -68 | 172.3 | 0 | 0 | 0 | 111.9 | F188 V225 E226 V232 K233 L255 C258 A260 | F188-L229 HydrophobicContact CB-CD1 4.23Å; F188-L229 HydrophobicContact CD2-CB 3.62Å; F188-L229 HydrophobicContact CD2-CD1 4.43Å; F188-L229 HydrophobicContact CE2-CB 3.72Å; F188-L229 HydrophobicContact CG-CB 4.27Å; F188-L229 HydrophobicContact CG-CD1 4.32Å; F188-L229 HydrophobicContact CZ-CB 4.43Å; V225-L229 HydrophobicContact CG1-CD1 3.96Å; V225-L229 HydrophobicContact CG1-CG 4.36Å; V225-L229 VanDerWaalsContact O-CG 3.3Å; V225-L229 WeakPolarHBondContact O-CG 3.34Å; V225-L229 PolarHBondContact O-N 3.28Å; E226-L229 PolarHBondContact O-N 2.92Å; E226-L229 VanDerWaalsContact O-N 3.12Å; L229-V232 PolarHBondContact O-N 3.06Å; L229-K233 WeakPolarHBondContact O-CB 3.05Å; L229-K233 PolarHBondContact O-N 3.08Å; L229-L255 HydrophobicContact CD2-CD2 4.13Å; L229-L255 HydrophobicContact CG-CD2 4.29Å; L229-C258 HydrophobicContact CD1-CB 3.82Å; L229-C258 HydrophobicContact CD2-CB 3.83Å; L229-C258 HydrophobicContact CG-CB 4.47Å; L229-A260 HydrophobicContact CD2-CB 4.12Å |
| 230 | Q | 95.1 | Very high | 95.5 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.8 | -40.3 | 174.7 | -65.7 | -63.8 | -11.9 | 0 | 0 | 112.1 | F185 E186 F188 L204 E226 I228 V232 K233 Q234 | F185-Q230 HydrophobicContact CD2-CG 4.21Å; F185-Q230 HydrophobicContact CE2-CG 4.38Å; E186-Q230 PolarHBondContact O-NE2 2.81Å; F188-Q230 HydrophobicContact CD2-CG 4.41Å; F188-Q230 HydrophobicContact CE2-CG 4.44Å; L204-Q230 HydrophobicContact CD1-CB 3.77Å; L204-Q230 HydrophobicContact CD1-CG 4.08Å; L204-Q230 HydrophobicContact CD2-CB 3.81Å; L204-Q230 HydrophobicContact CG-CB 4.43Å; E226-Q230 HydrophobicContact CG-CG 4.47Å; E226-Q230 WeakPolarHBondContact O-CG 3.38Å; E226-Q230 PolarHBondContact O-N 2.7Å; E226-Q230 PolarHBondContact OE1-NE2 3.29Å; I228-Q230 VanDerWaalsContact C-N 3.35Å; I228-Q230 PolarHBondContact O-N 3.46Å; Q230-V232 PolarHBondContact O-N 2.83Å; Q230-K233 WeakPolarHBondContact O-CB 3.3Å; Q230-K233 PolarHBondContact O-N 3.21Å; Q230-Q234 VanDerWaalsContact O-CG 3.32Å; Q230-Q234 WeakPolarHBondContact O-CG 3.39Å; Q230-Q234 PolarHBondContact O-N 2.82Å |
| 231 | A | 94.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.6 | -44.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | I227 I228 Q234 G235 Q236 V238 W371 | I227-A231 PolarHBondContact O-N 2.86Å; I228-A231 WeakPolarHBondContact O-CB 3.5Å; I228-A231 PolarHBondContact O-N 3.38Å; A231-Q234 CarbonylContact O-C 3.51Å; A231-Q234 WeakPolarHBondContact O-CA 3.38Å; A231-Q234 WeakPolarHBondContact O-CB 3.4Å; A231-Q234 PolarHBondContact O-N 2.83Å; A231-Q234 VanDerWaalsContact O-N 3.16Å; A231-G235 PolarHBondContact O-N 2.85Å; A231-Q236 HydrophobicContact CB-CB 4.26Å; A231-Q236 VanDerWaalsContact O-CB 3.29Å; A231-Q236 WeakPolarHBondContact O-CB 3.26Å; A231-Q236 WeakPolarHBondContact O-CG 3.21Å; A231-Q236 PolarHBondContact O-N 3.34Å; A231-V238 HydrophobicContact CB-CG2 3.9Å; A231-W371 HydrophobicContact CB-CD2 4.02Å; A231-W371 HydrophobicContact CB-CE3 3.57Å; A231-W371 HydrophobicContact CB-CH2 3.95Å; A231-W371 HydrophobicContact CB-CZ2 4.34Å; A231-W371 HydrophobicContact CB-CZ3 3.54Å |
| 232 | V | 94.8 | Very high | 95.7 | Very high | 33 Ų | 33 | 21 Ų | 21 | 20% | 0.2 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -65.9 | -37.4 | 176.4 | 171.5 | 0 | 0 | 0 | 0 | 111.7 | I228 L229 Q230 Q234 G235 V238 D346 V347 | I228-V232 HydrophobicContact CG2-CG2 4.48Å; I228-V232 WeakPolarHBondContact O-CG2 3.25Å; I228-V232 PolarHBondContact O-N 2.69Å; L229-V232 PolarHBondContact O-N 3.06Å; Q230-V232 PolarHBondContact O-N 2.83Å; V232-Q234 PolarHBondContact O-N 2.57Å; V232-G235 WeakPolarHBondContact O-CA 3.42Å; V232-G235 PolarHBondContact O-N 2.92Å; V232-V238 HydrophobicContact CG2-CG2 4.28Å; V232-D346 HydrophobicContact CG1-CB 3.87Å; V232-D346 HydrophobicContact CG2-CB 4.16Å; V232-V347 HydrophobicContact CG2-CG2 3.6Å |
| 233 | K | 93.4 | Very high | 95.5 | Very high | 114 Ų | 114 | 21 Ų | 21 | 50% | 0.496 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -59.9 | -34.5 | 172.2 | -166.8 | -176.5 | -174.7 | 173 | 0 | 111.8 | F188 L229 Q230 G235 | F188-K233 HydrophobicContact CE2-CB 4.12Å; F188-K233 HydrophobicContact CE2-CD 3.85Å; F188-K233 HydrophobicContact CE2-CG 4.46Å; F188-K233 HydrophobicContact CZ-CB 3.96Å; F188-K233 HydrophobicContact CZ-CD 3.7Å; F188-K233 HydrophobicContact CZ-CG 4.06Å; L229-K233 WeakPolarHBondContact O-CB 3.05Å; L229-K233 PolarHBondContact O-N 3.08Å; Q230-K233 WeakPolarHBondContact O-CB 3.3Å; Q230-K233 PolarHBondContact O-N 3.21Å; K233-G235 PolarHBondContact O-N 3.49Å |
| 234 | Q | 91.6 | Very high | 95 | Very high | 78 Ų | 78 | 22.9 Ų | 22.9 | 36% | 0.364 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | 11.2 | 173.4 | -64.1 | 169.8 | 12.8 | 0 | 0 | 113.5 | Q230 A231 V232 Q236 | Q230-Q234 VanDerWaalsContact O-CG 3.32Å; Q230-Q234 WeakPolarHBondContact O-CG 3.39Å; Q230-Q234 PolarHBondContact O-N 2.82Å; A231-Q234 CarbonylContact O-C 3.51Å; A231-Q234 WeakPolarHBondContact O-CA 3.38Å; A231-Q234 WeakPolarHBondContact O-CB 3.4Å; A231-Q234 PolarHBondContact O-N 2.83Å; A231-Q234 VanDerWaalsContact O-N 3.16Å; V232-Q234 PolarHBondContact O-N 2.57Å; Q234-Q236 HydrophobicContact CB-CG 4.24Å; Q234-Q236 PolarHBondContact O-N 2.92Å; Q234-Q236 PolarHBondContact O-NE2 3.01Å |
| 235 | G | 92.6 | Very high | 94.3 | Very high | 61 Ų | 61 | 24.6 Ų | 24.6 | 63% | 0.629 | 14% | 0.141 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.7 | 9.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | A231 V232 K233 | A231-G235 PolarHBondContact O-N 2.85Å; V232-G235 WeakPolarHBondContact O-CA 3.42Å; V232-G235 PolarHBondContact O-N 2.92Å; K233-G235 PolarHBondContact O-N 3.49Å |
| 236 | Q | 94.7 | Very high | 93.6 | Very high | 39 Ų | 39 | 28.2 Ų | 28.2 | 18% | 0.182 | 16% | 0.163 | C | C | . | . | trans | -74.3 | 143.9 | 179.7 | -53.9 | -62.7 | -79.4 | 0 | 0 | 110.9 | A231 Q234 D370 W371 R393 | A231-Q236 HydrophobicContact CB-CB 4.26Å; A231-Q236 VanDerWaalsContact O-CB 3.29Å; A231-Q236 WeakPolarHBondContact O-CB 3.26Å; A231-Q236 WeakPolarHBondContact O-CG 3.21Å; A231-Q236 PolarHBondContact O-N 3.34Å; Q234-Q236 HydrophobicContact CB-CG 4.24Å; Q234-Q236 PolarHBondContact O-N 2.92Å; Q234-Q236 PolarHBondContact O-NE2 3.01Å; Q236-D370 WeakPolarHBondContact CA-OD2 3.15Å; Q236-D370 HydrophobicContact CB-CB 4.09Å; Q236-D370 VanDerWaalsContact OE1-CB 3.25Å; Q236-D370 VanDerWaalsContact OE1-CG 3.29Å; Q236-D370 PolarHBondContact OE1-OD1 3.31Å; Q236-W371 HydrophobicContact CG-CZ2 4.46Å; Q236-R393 VanDerWaalsContact OE1-NH2 3.08Å | ||
| 237 | K | 95.8 | Very high | 93.2 | Very high | 44 Ų | 44 | 28.3 Ų | 28.3 | 19% | 0.191 | 17% | 0.165 | C | C | . | . | trans | -93.5 | 127.2 | 171.8 | -66.8 | -61.2 | -173.9 | 173.3 | 0 | 110.6 | A345 D346 H368 F369 D370 W371 | K237-A345 PolarHBondContact NZ-O 3.37Å; K237-D346 IonicContact NZ-OD1 3.63Å; K237-D346 PolarHBondContact NZ-OD1 2.97Å; K237-H368 VanDerWaalsContact CB-O 3.29Å; K237-H368 WeakPolarHBondContact CB-O 3.5Å; K237-F369 HydrophobicContact CB-CD1 4.39Å; K237-D370 PolarHBondContact N-OD2 3.31Å; K237-D370 PolarHBondContact O-N 3.03Å; K237-W371 PolarHBondContact O-N 3.12Å | ||
| 238 | V | 97.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 129.1 | -169 | -169.1 | 0 | 0 | 0 | 0 | 111.9 | I228 A231 V232 D346 V347 V348 W371 V373 | I228-V238 HydrophobicContact CG1-CG1 4.45Å; I228-V238 HydrophobicContact CG2-CG1 4.45Å; A231-V238 HydrophobicContact CB-CG2 3.9Å; V232-V238 HydrophobicContact CG2-CG2 4.28Å; V238-D346 PolarHBondContact N-O 2.92Å; V238-D346 VanDerWaalsContact N-O 3.14Å; V238-V347 HydrophobicContact CB-CG1 4.38Å; V238-V347 WeakPolarHBondContact O-CA 3.4Å; V238-V348 PolarHBondContact O-N 3.45Å; V238-W371 HydrophobicContact CG1-CB 4.45Å; V238-V373 HydrophobicContact CG1-CG2 3.76Å |
| 239 | L | 97.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 105.8 | 168.8 | 175.6 | 56.9 | 0 | 0 | 0 | 109.6 | V348 A355 L361 F369 W371 V372 V373 A388 R391 | L239-V348 WeakPolarHBondContact CA-O 3.26Å; L239-V348 HydrophobicContact CD1-CB 4.41Å; L239-V348 HydrophobicContact CD1-CG1 4.42Å; L239-A355 HydrophobicContact CD2-CB 4.39Å; L239-L361 HydrophobicContact CD1-CD1 4.06Å; L239-L361 HydrophobicContact CD2-CD1 3.98Å; L239-F369 HydrophobicContact CB-CB 4.32Å; L239-F369 HydrophobicContact CB-CD1 3.71Å; L239-F369 HydrophobicContact CB-CD2 4.1Å; L239-F369 HydrophobicContact CB-CE1 3.94Å; L239-F369 HydrophobicContact CB-CE2 4.31Å; L239-F369 HydrophobicContact CB-CG 3.78Å; L239-F369 HydrophobicContact CB-CZ 4.24Å; L239-F369 HydrophobicContact CD1-CZ 4.37Å; L239-F369 HydrophobicContact CD2-CD2 4.16Å; L239-F369 HydrophobicContact CD2-CE2 4.2Å; L239-W371 PolarHBondContact N-O 3.06Å; L239-V372 HydrophobicContact CB-CG2 4Å; L239-V372 HydrophobicContact CD2-CG2 4.08Å; L239-V372 HydrophobicContact CG-CG2 4.28Å; L239-V372 WeakPolarHBondContact O-CA 3.45Å; L239-V373 PolarHBondContact O-N 3.45Å; L239-A388 HydrophobicContact CD2-CB 4.36Å; L239-R391 HydrophobicContact CD2-CB 4.15Å; L239-R391 HydrophobicContact CD2-CG 4.38Å |
| 240 | C | 97.6 | Very high | 92.1 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.007 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 130.8 | 176 | -58 | 0 | 0 | 0 | 0 | 110.8 | I228 V347 V348 L349 S350 V373 | I228-C240 WeakPolarHBondContact CD1-SG 3.01Å; C240-V347 HydrophobicContact CB-CG1 4.32Å; C240-V347 WeakPolarHBondContact SG-CG1 3.22Å; C240-V348 PolarHBondContact N-O 3.45Å; C240-L349 HydrophobicContact CB-CD2 3.84Å; C240-L349 HydrophobicContact CB-CG 3.96Å; C240-L349 WeakPolarHBondContact O-CA 3.43Å; C240-S350 PolarHBondContact O-N 3.18Å; C240-V373 CarbonylContact C-O 3.6Å; C240-V373 WeakPolarHBondContact CA-O 3.27Å |
| 241 | C | 96.9 | Very high | 92 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 157.5 | -179 | -72 | 0 | 0 | 0 | 0 | 111.8 | S350 N352 V373 I374 D375 A388 | C241-S350 VanDerWaalsContact CA-O 3.27Å; C241-S350 WeakPolarHBondContact CA-O 3.42Å; C241-N352 WeakPolarHBondContact CB-OD1 3.35Å; C241-V373 PolarHBondContact N-O 2.98Å; C241-I374 HydrophobicContact CB-CG1 4.45Å; C241-I374 CarbonylContact O-C 3.48Å; C241-I374 WeakPolarHBondContact O-CA 3.41Å; C241-D375 PolarHBondContact O-N 3.14Å; C241-A388 HydrophobicContact CB-CB 4.29Å |
| 242 | A | 94.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 160 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | S244 A247 V248 S350 T351 N352 D375 | A242-S244 VanDerWaalsContact C-N 3.35Å; A242-S244 PolarHBondContact O-N 2.94Å; A242-A247 HydrophobicContact CB-CB 3.61Å; A242-V248 HydrophobicContact CB-CG2 3.79Å; A242-S350 PolarHBondContact N-O 2.91Å; A242-T351 CarbonylContact O-C 3.59Å; A242-T351 WeakPolarHBondContact O-CA 3.41Å; A242-N352 WeakPolarHBondContact CA-OD1 3.17Å; A242-N352 PolarHBondContact N-OD1 3.33Å; A242-N352 PolarHBondContact O-N 3.01Å; A242-N352 PolarHBondContact O-OD1 2.82Å; A242-D375 WeakPolarHBondContact CA-O 3.45Å; A242-D375 WeakPolarHBondContact CB-O 3.29Å |
| 243 | P | 90.9 | Very high | 91.7 | Very high | 41 Ų | 41 | 32 Ų | 32 | 27% | 0.266 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -68.5 | -30.5 | 178.5 | 25 | -32.6 | 0 | 0 | 0 | 113.4 | D375 E376 Q379 A380 | P243-D375 VanDerWaalsContact CD-O 3.23Å; P243-D375 WeakPolarHBondContact CD-O 3.38Å; P243-E376 HydrophobicContact CG-CB 4.15Å; P243-E376 WeakPolarHBondContact CG-O 3.47Å; P243-Q379 HydrophobicContact CG-CB 4.18Å; P243-A380 HydrophobicContact CB-CB 3.98Å; P243-A380 HydrophobicContact CG-CB 4.08Å |
| 244 | S | 85.5 | Confident | 91.6 | Very high | 40 Ų | 40 | 31 Ų | 31 | 28% | 0.28 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -113.2 | 147.7 | -175.7 | 80.3 | 0 | 0 | 0 | 0 | 112.9 | A242 V246 A247 V248 | A242-S244 VanDerWaalsContact C-N 3.35Å; A242-S244 PolarHBondContact O-N 2.94Å; S244-V246 VanDerWaalsContact C-N 3.27Å; S244-V246 PolarHBondContact O-N 3.13Å; S244-A247 PolarHBondContact O-N 2.74Å; S244-A247 WeakPolarHBondContact OG-CB 3.3Å; S244-A247 PolarHBondContact OG-N 3.06Å; S244-V248 WeakPolarHBondContact O-CG2 3.39Å; S244-V248 PolarHBondContact O-N 3.28Å |
| 245 | N | 83.7 | Confident | 91.6 | Very high | 36 Ų | 36 | 27.3 Ų | 27.3 | 19% | 0.193 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.1 | -36.6 | 176.5 | -70.4 | -73.8 | 0 | 0 | 0 | 112.3 | A247 V248 D249 R264 T351 | N245-A247 VanDerWaalsContact C-N 3.35Å; N245-A247 PolarHBondContact O-N 3.13Å; N245-V248 PolarHBondContact O-N 2.75Å; N245-D249 VanDerWaalsContact O-CB 3.26Å; N245-D249 WeakPolarHBondContact O-CB 3.27Å; N245-D249 PolarHBondContact O-N 2.84Å; N245-R264 PolarHBondContact OD1-NH1 3.19Å; N245-T351 WeakPolarHBondContact OD1-CG2 3.26Å |
| 246 | V | 82.5 | Confident | 91.4 | Very high | 87 Ų | 87 | 25.7 Ų | 25.7 | 53% | 0.527 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -63 | -41 | -179.1 | -179.1 | 0 | 0 | 0 | 0 | 111.2 | S244 D249 N250 | S244-V246 VanDerWaalsContact C-N 3.27Å; S244-V246 PolarHBondContact O-N 3.13Å; V246-D249 PolarHBondContact O-N 3.28Å; V246-N250 WeakPolarHBondContact O-CB 3.5Å; V246-N250 PolarHBondContact O-N 2.84Å; V246-N250 PolarHBondContact O-ND2 2.91Å; V246-N250 PolarHBondContact O-OD1 3.11Å |
| 247 | A | 87.6 | Confident | 91.1 | Very high | 6 Ų | 6 | 32.4 Ų | 32.4 | 5% | 0.05 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.1 | -44.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | A242 S244 N245 D249 N250 L251 E376 | A242-A247 HydrophobicContact CB-CB 3.61Å; S244-A247 PolarHBondContact O-N 2.74Å; S244-A247 WeakPolarHBondContact OG-CB 3.3Å; S244-A247 PolarHBondContact OG-N 3.06Å; N245-A247 VanDerWaalsContact C-N 3.35Å; N245-A247 PolarHBondContact O-N 3.13Å; A247-D249 VanDerWaalsContact C-N 3.33Å; A247-D249 PolarHBondContact O-N 3.38Å; A247-N250 PolarHBondContact O-N 3.33Å; A247-L251 PolarHBondContact O-N 2.97Å; A247-E376 HydrophobicContact CB-CG 4.07Å |
| 248 | V | 91.1 | Very high | 90.5 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.006 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.6 | -45.1 | 174.9 | -173.2 | 0 | 0 | 0 | 0 | 110.8 | A242 S244 N245 N250 L251 V252 L349 S350 T351 | A242-V248 HydrophobicContact CB-CG2 3.79Å; S244-V248 WeakPolarHBondContact O-CG2 3.39Å; S244-V248 PolarHBondContact O-N 3.28Å; N245-V248 PolarHBondContact O-N 2.75Å; V248-N250 PolarHBondContact O-N 3.03Å; V248-L251 WeakPolarHBondContact O-CB 3.45Å; V248-L251 PolarHBondContact O-N 3.37Å; V248-L251 VanDerWaalsContact O-N 3.14Å; V248-V252 HydrophobicContact CG1-CG2 4.44Å; V248-V252 WeakPolarHBondContact O-CG2 3.45Å; V248-V252 PolarHBondContact O-N 3.4Å; V248-L349 HydrophobicContact CG1-CB 3.89Å; V248-S350 WeakPolarHBondContact CG2-O 3.38Å; V248-T351 HydrophobicContact CG2-CG2 4.06Å |
| 249 | D | 88.3 | Confident | 89.7 | Confident | 4 Ų | 4 | 42.6 Ų | 42.6 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.7 | -40 | -176.6 | -74.8 | 10.3 | 0 | 0 | 0 | 111.4 | N245 V246 A247 L251 V252 E253 R264 L271 I275 | N245-D249 VanDerWaalsContact O-CB 3.26Å; N245-D249 WeakPolarHBondContact O-CB 3.27Å; N245-D249 PolarHBondContact O-N 2.84Å; V246-D249 PolarHBondContact O-N 3.28Å; A247-D249 VanDerWaalsContact C-N 3.33Å; A247-D249 PolarHBondContact O-N 3.38Å; D249-L251 VanDerWaalsContact C-N 3.29Å; D249-L251 PolarHBondContact O-N 3.49Å; D249-V252 PolarHBondContact O-N 3.09Å; D249-V252 VanDerWaalsContact O-N 3.16Å; D249-E253 PolarHBondContact O-N 2.82Å; D249-R264 IonicContact OD1-CZ 3.52Å; D249-R264 VanDerWaalsContact OD1-CZ 3.23Å; D249-R264 IonicContact OD1-NE 2.72Å; D249-R264 PolarHBondContact OD1-NE 3.13Å; D249-R264 IonicContact OD1-NH1 3.64Å; D249-R264 PolarHBondContact OD1-NH1 2.91Å; D249-L271 WeakPolarHBondContact OD1-CD2 3.18Å; D249-L271 WeakPolarHBondContact OD2-CA 3.29Å; D249-I275 HydrophobicContact CB-CD1 3.51Å; D249-I275 WeakPolarHBondContact O-CD1 3.38Å |
| 250 | N | 88.2 | Confident | 89 | Confident | 58 Ų | 58 | 43.4 Ų | 43.4 | 31% | 0.31 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -58.4 | -37.7 | 171.7 | -71.1 | -13.3 | 0 | 0 | 0 | 112.8 | V246 A247 V248 R254 | V246-N250 WeakPolarHBondContact O-CB 3.5Å; V246-N250 PolarHBondContact O-N 2.84Å; V246-N250 PolarHBondContact O-ND2 2.91Å; V246-N250 PolarHBondContact O-OD1 3.11Å; A247-N250 PolarHBondContact O-N 3.33Å; V248-N250 PolarHBondContact O-N 3.03Å; N250-R254 WeakPolarHBondContact O-CG 3.49Å; N250-R254 PolarHBondContact O-N 3.38Å |
| 251 | L | 92.3 | Very high | 88.7 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -68 | -45.2 | 173.6 | -72.3 | 168.4 | 0 | 0 | 0 | 111.6 | T221 V224 V225 A247 V248 D249 E253 R254 L255 L349 D375 | T221-L251 HydrophobicContact CG2-CD2 3.63Å; T221-L251 HydrophobicContact CG2-CG 4.21Å; V224-L251 HydrophobicContact CG1-CD2 3.84Å; V225-L251 HydrophobicContact CG2-CD2 4.08Å; A247-L251 PolarHBondContact O-N 2.97Å; V248-L251 WeakPolarHBondContact O-CB 3.45Å; V248-L251 PolarHBondContact O-N 3.37Å; V248-L251 VanDerWaalsContact O-N 3.14Å; D249-L251 VanDerWaalsContact C-N 3.29Å; D249-L251 PolarHBondContact O-N 3.49Å; L251-E253 VanDerWaalsContact C-N 3.33Å; L251-E253 PolarHBondContact O-N 2.98Å; L251-R254 PolarHBondContact O-N 3.14Å; L251-L255 WeakPolarHBondContact O-CB 3.23Å; L251-L255 WeakPolarHBondContact O-CG 3.33Å; L251-L255 PolarHBondContact O-N 2.86Å; L251-L349 HydrophobicContact CB-CD2 3.74Å; L251-D375 HydrophobicContact CD1-CB 3.91Å |
| 252 | V | 92.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.9 | -45.8 | 178.5 | -177.8 | 0 | 0 | 0 | 0 | 110.5 | V248 D249 R254 A256 V262 R264 I275 H278 L349 | V248-V252 HydrophobicContact CG1-CG2 4.44Å; V248-V252 WeakPolarHBondContact O-CG2 3.45Å; V248-V252 PolarHBondContact O-N 3.4Å; D249-V252 PolarHBondContact O-N 3.09Å; D249-V252 VanDerWaalsContact O-N 3.16Å; V252-R254 PolarHBondContact O-N 3.07Å; V252-A256 WeakPolarHBondContact O-CB 3.41Å; V252-A256 PolarHBondContact O-N 3.13Å; V252-V262 HydrophobicContact CG1-CG2 4.22Å; V252-R264 HydrophobicContact CG2-CB 4.02Å; V252-R264 HydrophobicContact CG2-CG 4.19Å; V252-I275 HydrophobicContact CB-CG2 4.05Å; V252-I275 HydrophobicContact CG1-CG2 3.76Å; V252-I275 HydrophobicContact CG2-CG2 4.44Å; V252-H278 HydrophobicContact CG1-CB 3.92Å; V252-L349 HydrophobicContact CG2-CB 3.86Å; V252-L349 HydrophobicContact CG2-CD1 4.12Å; V252-L349 HydrophobicContact CG2-CD2 3.83Å; V252-L349 HydrophobicContact CG2-CG 4.13Å |
| 253 | E | 90.1 | Very high | 88.6 | Confident | 60 Ų | 60 | 50.1 Ų | 50.1 | 28% | 0.28 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -60 | -45.4 | -179.8 | -176.9 | 175.7 | -167 | 0 | 0 | 112.1 | D249 L251 R257 I275 | D249-E253 PolarHBondContact O-N 2.82Å; L251-E253 VanDerWaalsContact C-N 3.33Å; L251-E253 PolarHBondContact O-N 2.98Å; E253-R257 WeakPolarHBondContact O-CG 3.42Å; E253-R257 PolarHBondContact O-N 3.19Å; E253-R257 IonicContact OE1-CZ 3.71Å; E253-R257 IonicContact OE1-NE 2.8Å; E253-R257 IonicContact OE1-NH2 3.98Å; E253-R257 PolarHBondContact OE1-NH2 3.44Å; E253-I275 HydrophobicContact CB-CD1 4.24Å; E253-I275 HydrophobicContact CB-CG1 4.43Å |
| 254 | R | 91 | Very high | 88.6 | Confident | 95 Ų | 95 | 48.2 Ų | 48.2 | 36% | 0.358 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -68.1 | -46.8 | -178.9 | -70.7 | 170.1 | 173.1 | -126.2 | -1.4 | 112 | T222 V225 N250 L251 V252 A256 R257 C258 | T222-R254 PolarHBondContact OG1-NH1 2.88Å; V225-R254 HydrophobicContact CG1-CB 4.42Å; V225-R254 HydrophobicContact CG2-CB 3.71Å; N250-R254 WeakPolarHBondContact O-CG 3.49Å; N250-R254 PolarHBondContact O-N 3.38Å; L251-R254 PolarHBondContact O-N 3.14Å; V252-R254 PolarHBondContact O-N 3.07Å; R254-A256 VanDerWaalsContact C-N 3.34Å; R254-A256 PolarHBondContact O-N 2.9Å; R254-R257 PolarHBondContact O-N 2.87Å; R254-C258 PolarHBondContact O-N 3.03Å; R254-C258 PolarHBondContact O-SG 2.83Å; R254-C258 VanDerWaalsContact O-SG 3.41Å |
| 255 | L | 92.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.9 | -36.1 | 177.9 | -70.1 | 163.8 | 0 | 0 | 0 | 112.6 | V225 I228 L229 L251 R257 C258 K259 A260 V262 V347 L349 | V225-L255 HydrophobicContact CG1-CD2 4.01Å; V225-L255 HydrophobicContact CG1-CG 4.47Å; V225-L255 HydrophobicContact CG2-CD2 4.41Å; V225-L255 HydrophobicContact CG2-CG 4.24Å; I228-L255 HydrophobicContact CB-CD2 4.07Å; I228-L255 HydrophobicContact CD1-CD1 4.27Å; I228-L255 HydrophobicContact CG2-CD1 4.33Å; I228-L255 HydrophobicContact CG2-CD2 3.69Å; L229-L255 HydrophobicContact CD2-CD2 4.13Å; L229-L255 HydrophobicContact CG-CD2 4.29Å; L251-L255 WeakPolarHBondContact O-CB 3.23Å; L251-L255 WeakPolarHBondContact O-CG 3.33Å; L251-L255 PolarHBondContact O-N 2.86Å; L255-R257 PolarHBondContact O-N 2.91Å; L255-C258 CarbonylContact O-C 3.49Å; L255-C258 PolarHBondContact O-N 3.14Å; L255-C258 VanDerWaalsContact O-N 3.16Å; L255-K259 PolarHBondContact O-N 2.87Å; L255-A260 PolarHBondContact O-N 2.76Å; L255-V262 HydrophobicContact CB-CG1 3.5Å; L255-V262 HydrophobicContact CD1-CG1 4.24Å; L255-V262 HydrophobicContact CG-CG1 4.48Å; L255-V347 HydrophobicContact CD1-CG1 4.13Å; L255-L349 HydrophobicContact CD1-CD1 4.35Å; L255-L349 HydrophobicContact CD1-CD2 3.84Å |
| 256 | A | 88.3 | Confident | 88.4 | Confident | 26 Ų | 26 | 46.4 Ų | 46.4 | 22% | 0.215 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.2 | -37.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | V252 R254 C258 K259 V262 H278 | V252-A256 WeakPolarHBondContact O-CB 3.41Å; V252-A256 PolarHBondContact O-N 3.13Å; R254-A256 VanDerWaalsContact C-N 3.34Å; R254-A256 PolarHBondContact O-N 2.9Å; A256-C258 PolarHBondContact O-N 3.25Å; A256-K259 PolarHBondContact O-N 2.68Å; A256-K259 VanDerWaalsContact O-N 3.13Å; A256-V262 HydrophobicContact CB-CG2 4.18Å; A256-H278 WeakPolarHBondContact CB-NE2 3.34Å |
| 257 | R | 87.3 | Confident | 87.5 | Confident | 181 Ų | 181 | 45.3 Ų | 45.3 | 68% | 0.683 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -61.8 | -33.7 | 173.4 | -68.9 | 169.3 | -173.5 | -158.7 | 4.4 | 111.7 | E253 R254 L255 K259 | E253-R257 WeakPolarHBondContact O-CG 3.42Å; E253-R257 PolarHBondContact O-N 3.19Å; E253-R257 IonicContact OE1-CZ 3.71Å; E253-R257 IonicContact OE1-NE 2.8Å; E253-R257 IonicContact OE1-NH2 3.98Å; E253-R257 PolarHBondContact OE1-NH2 3.44Å; R254-R257 PolarHBondContact O-N 2.87Å; L255-R257 PolarHBondContact O-N 2.91Å; R257-K259 PolarHBondContact O-N 3.08Å |
| 258 | C | 84.2 | Confident | 86.1 | Confident | 64 Ų | 64 | 46.2 Ų | 46.2 | 43% | 0.432 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | 9.5 | 176.4 | -57.1 | 0 | 0 | 0 | 0 | 114.2 | L229 R254 L255 A256 A260 | L229-C258 HydrophobicContact CD1-CB 3.82Å; L229-C258 HydrophobicContact CD2-CB 3.83Å; L229-C258 HydrophobicContact CG-CB 4.47Å; R254-C258 PolarHBondContact O-N 3.03Å; R254-C258 PolarHBondContact O-SG 2.83Å; R254-C258 VanDerWaalsContact O-SG 3.41Å; L255-C258 CarbonylContact O-C 3.49Å; L255-C258 PolarHBondContact O-N 3.14Å; L255-C258 VanDerWaalsContact O-N 3.16Å; A256-C258 PolarHBondContact O-N 3.25Å; C258-A260 PolarHBondContact O-N 2.71Å |
| 259 | K | 80.8 | Confident | 84.1 | Confident | 194 Ų | 194 | 47.5 Ų | 47.5 | 84% | 0.843 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60 | 18.2 | 179.2 | -55.3 | -179.3 | -179.1 | 174.5 | 0 | 115.8 | L255 A256 R257 | L255-K259 PolarHBondContact O-N 2.87Å; A256-K259 PolarHBondContact O-N 2.68Å; A256-K259 VanDerWaalsContact O-N 3.13Å; R257-K259 PolarHBondContact O-N 3.08Å |
| 260 | A | 83.8 | Confident | 82.7 | Confident | 17 Ų | 17 | 51.2 Ų | 51.2 | 14% | 0.14 | 25% | 0.25 | C | S | . | . | trans | -66.8 | 147.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L229 L255 C258 V262 | L229-A260 HydrophobicContact CD2-CB 4.12Å; L255-A260 PolarHBondContact O-N 2.76Å; C258-A260 PolarHBondContact O-N 2.71Å; A260-V262 VanDerWaalsContact C-N 3.3Å; A260-V262 HydrophobicContact CB-CG1 4.18Å; A260-V262 PolarHBondContact O-N 3.43Å | ||
| 261 | K | 90.7 | Very high | 81.5 | Confident | 132 Ų | 132 | 49 Ų | 49 | 57% | 0.574 | 24% | 0.238 | S | C | * | . | trans | -75.9 | 82.9 | 174.7 | -61.4 | -177.6 | -167.7 | 160.1 | 0 | 110.5 | D346 V347 | K261-D346 HydrophobicContact CB-CB 4.29Å; K261-D346 WeakPolarHBondContact CB-OD2 3.33Å; K261-D346 WeakPolarHBondContact CD-OD2 3.41Å; K261-D346 WeakPolarHBondContact CG-OD2 3.31Å; K261-D346 PolarHBondContact O-N 3.24Å; K261-V347 PolarHBondContact O-N 2.93Å | ||
| 262 | V | 93.8 | Very high | 80.2 | Confident | 8 Ų | 8 | 53.2 Ų | 53.2 | 5% | 0.048 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 138.2 | -179.1 | -64.6 | 0 | 0 | 0 | 0 | 112.6 | V252 L255 A256 A260 H278 V347 L349 | V252-V262 HydrophobicContact CG1-CG2 4.22Å; L255-V262 HydrophobicContact CB-CG1 3.5Å; L255-V262 HydrophobicContact CD1-CG1 4.24Å; L255-V262 HydrophobicContact CG-CG1 4.48Å; A256-V262 HydrophobicContact CB-CG2 4.18Å; A260-V262 VanDerWaalsContact C-N 3.3Å; A260-V262 HydrophobicContact CB-CG1 4.18Å; A260-V262 PolarHBondContact O-N 3.43Å; V262-H278 HydrophobicContact CG2-CB 4.2Å; V262-H278 WeakPolarHBondContact CG2-ND1 3.35Å; V262-V347 WeakPolarHBondContact CA-O 3.33Å; V262-V347 HydrophobicContact CG1-CB 4.35Å; V262-L349 HydrophobicContact CB-CD1 3.78Å; V262-L349 HydrophobicContact CG1-CD1 3.93Å |
| 263 | L | 94.3 | Very high | 79 | Confident | 2 Ų | 2 | 61.2 Ų | 61.2 | 1% | 0.01 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 115.6 | 174.4 | 173.3 | 62.7 | 0 | 0 | 0 | 110.4 | L265 L280 I283 I341 L342 A345 V347 V348 L349 | L263-L265 HydrophobicContact CD2-CD2 4.15Å; L263-L265 HydrophobicContact CG-CD2 4.03Å; L263-L280 HydrophobicContact CD1-CB 4.12Å; L263-L280 HydrophobicContact CD1-CD1 4.06Å; L263-I283 HydrophobicContact CD1-CD1 3.68Å; L263-I341 HydrophobicContact CD1-CG2 3.88Å; L263-I341 HydrophobicContact CD2-CG2 3.93Å; L263-L342 HydrophobicContact CD2-CD2 3.7Å; L263-L342 HydrophobicContact CD2-CG 4.16Å; L263-A345 HydrophobicContact CB-CB 3.7Å; L263-A345 HydrophobicContact CD2-CB 4.12Å; L263-V347 PolarHBondContact N-O 3.43Å; L263-V348 HydrophobicContact CD2-CG2 4.4Å; L263-V348 WeakPolarHBondContact O-CA 3.49Å; L263-L349 PolarHBondContact O-N 2.98Å |
| 264 | R | 92.8 | Very high | 78.3 | Confident | 1 Ų | 1 | 61.5 Ų | 61.5 | 0% | 0.004 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 112.3 | 178 | 176.7 | 54.7 | 161.5 | 114.4 | -177.4 | 110.9 | N245 D249 V252 L271 I275 H278 S279 L280 L349 | N245-R264 PolarHBondContact OD1-NH1 3.19Å; D249-R264 IonicContact OD1-CZ 3.52Å; D249-R264 VanDerWaalsContact OD1-CZ 3.23Å; D249-R264 IonicContact OD1-NE 2.72Å; D249-R264 PolarHBondContact OD1-NE 3.13Å; D249-R264 IonicContact OD1-NH1 3.64Å; D249-R264 PolarHBondContact OD1-NH1 2.91Å; V252-R264 HydrophobicContact CG2-CB 4.02Å; V252-R264 HydrophobicContact CG2-CG 4.19Å; R264-L271 HydrophobicContact CG-CD1 3.91Å; R264-L271 HydrophobicContact CG-CD2 3.79Å; R264-I275 HydrophobicContact CG-CG2 4.49Å; R264-H278 PolarHBondContact N-O 3.13Å; R264-S279 WeakPolarHBondContact O-CA 3.46Å; R264-L280 PolarHBondContact O-N 3.25Å; R264-L349 CarbonylContact C-O 3.6Å; R264-L349 WeakPolarHBondContact CA-O 3.39Å; R264-L349 WeakPolarHBondContact CD-O 3.46Å |
| 265 | L | 88.9 | Confident | 77.8 | Confident | 7 Ų | 7 | 57 Ų | 57 | 4% | 0.037 | 29% | 0.29 | C | S | . | . | trans | -86.1 | 116.6 | 170.3 | -50.5 | -176.1 | 0 | 0 | 0 | 109.6 | L263 L280 L342 V348 L349 P360 L361 | L263-L265 HydrophobicContact CD2-CD2 4.15Å; L263-L265 HydrophobicContact CG-CD2 4.03Å; L265-L280 HydrophobicContact CD2-CB 4.19Å; L265-L280 HydrophobicContact CD2-CD2 4.13Å; L265-L342 HydrophobicContact CD1-CD2 4.36Å; L265-L342 HydrophobicContact CD2-CD2 4.09Å; L265-V348 HydrophobicContact CD1-CG1 3.56Å; L265-V348 HydrophobicContact CD2-CG1 4.31Å; L265-V348 HydrophobicContact CG-CG1 3.68Å; L265-L349 PolarHBondContact N-O 3.34Å; L265-P360 HydrophobicContact CD1-CB 4.21Å; L265-P360 HydrophobicContact CD1-CG 4.39Å; L265-P360 HydrophobicContact CD2-CB 4.16Å; L265-P360 HydrophobicContact CD2-CG 4.27Å; L265-L361 HydrophobicContact CD1-CD2 3.52Å; L265-L361 HydrophobicContact CD1-CG 3.85Å | ||
| 266 | G | 74.2 | Confident | 77.2 | Confident | 30 Ų | 30 | 60.6 Ų | 60.6 | 31% | 0.309 | 31% | 0.306 | S | S | . | . | S | Bend | trans | 163.7 | 163.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 267 | H | 65.6 | Low | 77 | Confident | 64 Ų | 64 | 65.2 Ų | 65.2 | 30% | 0.296 | 32% | 0.322 | S | S | . | . | trans | -74.1 | 129.1 | 179.6 | -163 | -80.3 | 0 | 0 | 0 | 110.7 | A84 T108 A269 R270 | A84-H267 HydrophobicContact CB-CB 3.82Å; T108-H267 WeakPolarHBondContact CB-NE2 3.37Å; T108-H267 WeakPolarHBondContact CG2-NE2 3.34Å; T108-H267 PolarHBondContact O-CE1 3.04Å; T108-H267 PolarHBondContact O-ND1 3.06Å; H267-A269 VanDerWaalsContact C-N 3.29Å; H267-A269 PolarHBondContact O-N 2.81Å; H267-A269 VanDerWaalsContact O-N 3.12Å; H267-R270 WeakPolarHBondContact O-CB 3.2Å; H267-R270 PolarHBondContact O-N 3.12Å | ||
| 268 | P | 56.8 | Low | 77.1 | Confident | 26 Ų | 26 | 58.4 Ų | 58.4 | 17% | 0.169 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -54.5 | -36.7 | -172.3 | -31.5 | 35.6 | 0 | 0 | 0 | 115.3 | R270 L271 D281 | P268-R270 PolarHBondContact O-N 3.26Å; P268-L271 WeakPolarHBondContact O-CB 3.12Å; P268-L271 PolarHBondContact O-N 3.24Å; P268-D281 WeakPolarHBondContact CD-OD2 3.44Å; P268-D281 HydrophobicContact CG-CB 3.68Å; P268-D281 WeakPolarHBondContact CG-OD2 3.3Å |
| 269 | A | 49.8 | Very low | 77.2 | Confident | 28 Ų | 28 | 55.4 Ų | 55.4 | 23% | 0.231 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -71 | -4.7 | 178 | 0 | 0 | 0 | 0 | 0 | 115 | P83 A84 T108 R109 H267 | P83-A269 WeakPolarHBondContact CB-O 3.37Å; P83-A269 WeakPolarHBondContact O-CB 3.46Å; A84-A269 HydrophobicContact CB-CB 4.28Å; T108-A269 WeakPolarHBondContact O-CB 3.48Å; R109-A269 HydrophobicContact CB-CB 4.39Å; R109-A269 HydrophobicContact CG-CB 4.42Å; H267-A269 VanDerWaalsContact C-N 3.29Å; H267-A269 PolarHBondContact O-N 2.81Å; H267-A269 VanDerWaalsContact O-N 3.12Å |
| 270 | R | 58.8 | Low | 77.4 | Confident | 82 Ų | 82 | 46.3 Ų | 46.3 | 31% | 0.309 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -86.7 | -12 | 165.4 | -93.7 | 166.2 | 178.3 | -164.7 | -2.9 | 113.2 | A84 G85 H267 P268 | A84-R270 VanDerWaalsContact C-NE 3.33Å; A84-R270 HydrophobicContact CB-CG 3.9Å; A84-R270 PolarHBondContact O-NE 3.35Å; A84-R270 PolarHBondContact O-NH2 3.46Å; G85-R270 PolarHBondContact O-NH2 3.47Å; G85-R270 VanDerWaalsContact O-NH2 3.11Å; H267-R270 WeakPolarHBondContact O-CB 3.2Å; H267-R270 PolarHBondContact O-N 3.12Å; P268-R270 PolarHBondContact O-N 3.26Å |
| 271 | L | 63.4 | Low | 77.2 | Confident | 10 Ų | 10 | 47 Ų | 47 | 5% | 0.052 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -99.6 | 145.1 | -170 | -48.6 | 178.3 | 0 | 0 | 0 | 111.3 | D249 R264 P268 I275 Q276 | D249-L271 WeakPolarHBondContact OD1-CD2 3.18Å; D249-L271 WeakPolarHBondContact OD2-CA 3.29Å; R264-L271 HydrophobicContact CG-CD1 3.91Å; R264-L271 HydrophobicContact CG-CD2 3.79Å; P268-L271 WeakPolarHBondContact O-CB 3.12Å; P268-L271 PolarHBondContact O-N 3.24Å; L271-I275 HydrophobicContact CB-CG2 4.38Å; L271-I275 HydrophobicContact CD1-CG2 4.49Å; L271-Q276 HydrophobicContact CB-CG 4.04Å; L271-Q276 PolarHBondContact O-NE2 2.95Å |
| 272 | L | 64 | Low | 76.8 | Confident | 91 Ų | 91 | 41.8 Ų | 41.8 | 48% | 0.476 | 22% | 0.22 | S | C | . | . | trans | -57.4 | 143.5 | 165.8 | -62.9 | 167.3 | 0 | 0 | 0 | 110.3 | S274 I275 Q276 | L272-S274 VanDerWaalsContact C-N 3.28Å; L272-S274 PolarHBondContact O-N 3.26Å; L272-I275 HydrophobicContact CB-CB 4.5Å; L272-I275 HydrophobicContact CB-CD1 4.04Å; L272-I275 HydrophobicContact CB-CG1 4.35Å; L272-I275 HydrophobicContact CD1-CD1 4.01Å; L272-I275 HydrophobicContact CG-CD1 4.46Å; L272-I275 WeakPolarHBondContact O-CA 3.36Å; L272-I275 WeakPolarHBondContact O-CB 3.23Å; L272-I275 PolarHBondContact O-N 3.47Å; L272-Q276 PolarHBondContact O-N 3.08Å; L272-Q276 VanDerWaalsContact O-N 3.1Å | ||
| 273 | E | 67.9 | Low | 76.4 | Confident | 167 Ų | 167 | 43.5 Ų | 43.5 | 78% | 0.78 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -57 | -39.7 | -175.7 | -173.9 | 171.9 | -165.5 | 0 | 0 | 112.7 | I275 Q276 | E273-I275 PolarHBondContact O-N 2.73Å; E273-I275 VanDerWaalsContact O-N 3.14Å; E273-Q276 PolarHBondContact O-N 2.95Å |
| 274 | S | 75.3 | Confident | 75.9 | Confident | 66 Ų | 66 | 43.9 Ų | 43.9 | 46% | 0.462 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -58.6 | -24 | 173.6 | 53.9 | 0 | 0 | 0 | 0 | 114.1 | L272 K277 | L272-S274 VanDerWaalsContact C-N 3.28Å; L272-S274 PolarHBondContact O-N 3.26Å; S274-K277 WeakPolarHBondContact O-CE 3.36Å |
| 275 | I | 81.6 | Confident | 75.3 | Confident | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -99.9 | -21.4 | -176 | -65 | 172.5 | 0 | 0 | 0 | 111.7 | D249 V252 E253 R264 L271 L272 E273 K277 H278 | D249-I275 HydrophobicContact CB-CD1 3.51Å; D249-I275 WeakPolarHBondContact O-CD1 3.38Å; V252-I275 HydrophobicContact CB-CG2 4.05Å; V252-I275 HydrophobicContact CG1-CG2 3.76Å; V252-I275 HydrophobicContact CG2-CG2 4.44Å; E253-I275 HydrophobicContact CB-CD1 4.24Å; E253-I275 HydrophobicContact CB-CG1 4.43Å; R264-I275 HydrophobicContact CG-CG2 4.49Å; L271-I275 HydrophobicContact CB-CG2 4.38Å; L271-I275 HydrophobicContact CD1-CG2 4.49Å; L272-I275 HydrophobicContact CB-CB 4.5Å; L272-I275 HydrophobicContact CB-CD1 4.04Å; L272-I275 HydrophobicContact CB-CG1 4.35Å; L272-I275 HydrophobicContact CD1-CD1 4.01Å; L272-I275 HydrophobicContact CG-CD1 4.46Å; L272-I275 WeakPolarHBondContact O-CA 3.36Å; L272-I275 WeakPolarHBondContact O-CB 3.23Å; L272-I275 PolarHBondContact O-N 3.47Å; E273-I275 PolarHBondContact O-N 2.73Å; E273-I275 VanDerWaalsContact O-N 3.14Å; I275-K277 PolarHBondContact O-N 3.39Å; I275-K277 VanDerWaalsContact O-N 3.09Å; I275-H278 WeakPolarHBondContact O-CB 3.32Å; I275-H278 PolarHBondContact O-N 3.37Å |
| 276 | Q | 79.1 | Confident | 74.9 | Confident | 74 Ų | 74 | 53.8 Ų | 53.8 | 35% | 0.346 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -55.3 | -34.4 | -176.3 | -74.7 | 178.6 | 19.5 | 0 | 0 | 112.9 | L271 L272 E273 H278 S279 A282 | L271-Q276 HydrophobicContact CB-CG 4.04Å; L271-Q276 PolarHBondContact O-NE2 2.95Å; L272-Q276 PolarHBondContact O-N 3.08Å; L272-Q276 VanDerWaalsContact O-N 3.1Å; E273-Q276 PolarHBondContact O-N 2.95Å; Q276-H278 PolarHBondContact O-N 3.06Å; Q276-S279 VanDerWaalsContact O-CB 3.26Å; Q276-S279 WeakPolarHBondContact O-CB 3.32Å; Q276-S279 PolarHBondContact O-N 3.18Å; Q276-S279 PolarHBondContact O-OG 3.37Å; Q276-A282 WeakPolarHBondContact O-CB 3.19Å |
| 277 | K | 84.8 | Confident | 75.2 | Confident | 124 Ų | 124 | 53.7 Ų | 53.7 | 54% | 0.539 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -22 | 173.4 | 62.4 | 175.7 | 174.6 | 167.8 | 0 | 115.1 | S274 I275 | S274-K277 WeakPolarHBondContact O-CE 3.36Å; I275-K277 PolarHBondContact O-N 3.39Å; I275-K277 VanDerWaalsContact O-N 3.09Å |
| 278 | H | 87.6 | Confident | 75.6 | Confident | 37 Ų | 37 | 58.1 Ų | 58.1 | 17% | 0.171 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | 0.3 | 176.5 | -61.4 | -67.8 | 0 | 0 | 0 | 113 | V252 A256 V262 R264 I275 Q276 | V252-H278 HydrophobicContact CG1-CB 3.92Å; A256-H278 WeakPolarHBondContact CB-NE2 3.34Å; V262-H278 HydrophobicContact CG2-CB 4.2Å; V262-H278 WeakPolarHBondContact CG2-ND1 3.35Å; R264-H278 PolarHBondContact N-O 3.13Å; I275-H278 WeakPolarHBondContact O-CB 3.32Å; I275-H278 PolarHBondContact O-N 3.37Å; Q276-H278 PolarHBondContact O-N 3.06Å |
| 279 | S | 87.7 | Confident | 76.5 | Confident | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.007 | 32% | 0.316 | C | S | . | . | B | Isolated β-bridge | trans | -71.3 | 148.3 | 175.9 | 71.4 | 0 | 0 | 0 | 0 | 111.6 | R264 Q276 D281 A282 I283 | R264-S279 WeakPolarHBondContact O-CA 3.46Å; Q276-S279 VanDerWaalsContact O-CB 3.26Å; Q276-S279 WeakPolarHBondContact O-CB 3.32Å; Q276-S279 PolarHBondContact O-N 3.18Å; Q276-S279 PolarHBondContact O-OG 3.37Å; S279-D281 PolarHBondContact O-N 2.87Å; S279-A282 PolarHBondContact O-N 2.76Å; S279-A282 VanDerWaalsContact O-N 3.17Å; S279-A282 WeakPolarHBondContact OG-CB 3.44Å; S279-A282 PolarHBondContact OG-N 2.79Å; S279-I283 WeakPolarHBondContact O-CG1 3.44Å; S279-I283 PolarHBondContact O-N 3.35Å |
| 280 | L | 84.9 | Confident | 77.8 | Confident | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.021 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -49.8 | -43.1 | 173.9 | -179.7 | 64.1 | 0 | 0 | 0 | 111.7 | L263 R264 L265 I283 L284 I338 I341 P360 | L263-L280 HydrophobicContact CD1-CB 4.12Å; L263-L280 HydrophobicContact CD1-CD1 4.06Å; R264-L280 PolarHBondContact O-N 3.25Å; L265-L280 HydrophobicContact CD2-CB 4.19Å; L265-L280 HydrophobicContact CD2-CD2 4.13Å; L280-I283 PolarHBondContact O-N 3.27Å; L280-L284 HydrophobicContact CD1-CD1 4.29Å; L280-L284 HydrophobicContact CD1-CG 4.36Å; L280-L284 HydrophobicContact CG-CD1 3.93Å; L280-L284 HydrophobicContact CG-CG 4.45Å; L280-L284 WeakPolarHBondContact O-CB 3.29Å; L280-L284 VanDerWaalsContact O-CG 3.23Å; L280-L284 WeakPolarHBondContact O-CG 3.3Å; L280-L284 PolarHBondContact O-N 2.73Å; L280-I338 HydrophobicContact CD1-CG1 4.31Å; L280-I338 HydrophobicContact CD1-CG2 4.34Å; L280-I338 HydrophobicContact CD2-CG1 4.29Å; L280-I338 HydrophobicContact CD2-CG2 4.26Å; L280-I341 HydrophobicContact CD1-CG2 4.04Å; L280-P360 HydrophobicContact CD2-CB 4.06Å; L280-P360 HydrophobicContact CD2-CG 3.84Å |
| 281 | D | 80.2 | Confident | 78.8 | Confident | 31 Ų | 31 | 60.9 Ų | 60.9 | 17% | 0.166 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -69.1 | -37.8 | -176 | -57.3 | -5.8 | 0 | 0 | 0 | 112.4 | L57 P268 S279 A285 | L57-D281 HydrophobicContact CD1-CB 4.13Å; L57-D281 WeakPolarHBondContact CD1-OD1 3.47Å; L57-D281 WeakPolarHBondContact CD1-OD2 3.34Å; P268-D281 WeakPolarHBondContact CD-OD2 3.44Å; P268-D281 HydrophobicContact CG-CB 3.68Å; P268-D281 WeakPolarHBondContact CG-OD2 3.3Å; S279-D281 PolarHBondContact O-N 2.87Å; D281-A285 WeakPolarHBondContact O-CB 3.36Å; D281-A285 PolarHBondContact O-N 3.3Å |
| 282 | A | 81.5 | Confident | 79.6 | Confident | 22 Ų | 22 | 63.9 Ų | 63.9 | 18% | 0.182 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -71.7 | -39.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q276 S279 A285 Q286 | Q276-A282 WeakPolarHBondContact O-CB 3.19Å; S279-A282 PolarHBondContact O-N 2.76Å; S279-A282 VanDerWaalsContact O-N 3.17Å; S279-A282 WeakPolarHBondContact OG-CB 3.44Å; S279-A282 PolarHBondContact OG-N 2.79Å; A282-A285 PolarHBondContact O-N 2.67Å; A282-Q286 WeakPolarHBondContact O-CG 3.49Å; A282-Q286 PolarHBondContact O-N 3.16Å; A282-Q286 VanDerWaalsContact O-N 3.09Å |
| 283 | I | 84.9 | Confident | 80.4 | Confident | 44 Ų | 44 | 60 Ų | 60 | 23% | 0.226 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -68.3 | -40.7 | 177.1 | -63.3 | 165.2 | 0 | 0 | 0 | 110.1 | L263 S279 L280 A285 Q286 S287 I341 | L263-I283 HydrophobicContact CD1-CD1 3.68Å; S279-I283 WeakPolarHBondContact O-CG1 3.44Å; S279-I283 PolarHBondContact O-N 3.35Å; L280-I283 PolarHBondContact O-N 3.27Å; I283-A285 VanDerWaalsContact C-N 3.32Å; I283-A285 PolarHBondContact O-N 3.24Å; I283-Q286 CarbonylContact O-C 3.54Å; I283-Q286 PolarHBondContact O-N 3.26Å; I283-Q286 VanDerWaalsContact O-N 3.14Å; I283-S287 PolarHBondContact O-N 2.93Å; I283-I341 HydrophobicContact CB-CG2 4.47Å; I283-I341 HydrophobicContact CG2-CD1 3.97Å; I283-I341 HydrophobicContact CG2-CG1 4.05Å; I283-I341 HydrophobicContact CG2-CG2 3.78Å |
| 284 | L | 84.4 | Confident | 81 | Confident | 11 Ų | 11 | 54 Ų | 54 | 6% | 0.058 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57.2 | -44.3 | 170.6 | -79.6 | 167.4 | 0 | 0 | 0 | 111.9 | L57 L280 Q286 S287 A290 A337 I338 I341 | L57-L284 HydrophobicContact CD2-CD1 4.36Å; L280-L284 HydrophobicContact CD1-CD1 4.29Å; L280-L284 HydrophobicContact CD1-CG 4.36Å; L280-L284 HydrophobicContact CG-CD1 3.93Å; L280-L284 HydrophobicContact CG-CG 4.45Å; L280-L284 WeakPolarHBondContact O-CB 3.29Å; L280-L284 VanDerWaalsContact O-CG 3.23Å; L280-L284 WeakPolarHBondContact O-CG 3.3Å; L280-L284 PolarHBondContact O-N 2.73Å; L284-Q286 PolarHBondContact O-N 3.11Å; L284-S287 PolarHBondContact O-N 3.02Å; L284-S287 PolarHBondContact O-OG 2.92Å; L284-A290 WeakPolarHBondContact O-CB 3.42Å; L284-A337 HydrophobicContact CD2-CB 3.74Å; L284-I338 HydrophobicContact CD1-CD1 4.25Å; L284-I338 HydrophobicContact CD1-CG1 3.78Å; L284-I338 HydrophobicContact CD2-CG1 3.91Å; L284-I338 HydrophobicContact CG-CG1 4.32Å; L284-I341 HydrophobicContact CB-CD1 4.49Å; L284-I341 HydrophobicContact CD2-CD1 3.52Å; L284-I341 HydrophobicContact CG-CD1 3.82Å |
| 285 | A | 80.1 | Confident | 81.4 | Confident | 72 Ų | 72 | 54.4 Ų | 54.4 | 60% | 0.595 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -69.4 | -15.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | D281 A282 I283 A290 | D281-A285 WeakPolarHBondContact O-CB 3.36Å; D281-A285 PolarHBondContact O-N 3.3Å; A282-A285 PolarHBondContact O-N 2.67Å; I283-A285 VanDerWaalsContact C-N 3.32Å; I283-A285 PolarHBondContact O-N 3.24Å; A285-A290 WeakPolarHBondContact O-CB 3.34Å |
| 286 | Q | 80.1 | Confident | 81.5 | Confident | 144 Ų | 144 | 54.8 Ų | 54.8 | 67% | 0.673 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -101.3 | -9.1 | 175.6 | -69.4 | 172.9 | 21.2 | 0 | 0 | 113.3 | A282 I283 L284 | A282-Q286 WeakPolarHBondContact O-CG 3.49Å; A282-Q286 PolarHBondContact O-N 3.16Å; A282-Q286 VanDerWaalsContact O-N 3.09Å; I283-Q286 CarbonylContact O-C 3.54Å; I283-Q286 PolarHBondContact O-N 3.26Å; I283-Q286 VanDerWaalsContact O-N 3.14Å; L284-Q286 PolarHBondContact O-N 3.11Å |
| 287 | S | 79.7 | Confident | 81.6 | Confident | 27 Ų | 27 | 54.5 Ų | 54.5 | 19% | 0.189 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -71.3 | 156.9 | 179.6 | 71.9 | 0 | 0 | 0 | 0 | 112.6 | I283 L284 N289 A290 | I283-S287 PolarHBondContact O-N 2.93Å; L284-S287 PolarHBondContact O-N 3.02Å; L284-S287 PolarHBondContact O-OG 2.92Å; S287-N289 PolarHBondContact O-N 3.44Å; S287-N289 VanDerWaalsContact O-N 3.11Å; S287-A290 WeakPolarHBondContact O-CB 3.43Å; S287-A290 PolarHBondContact O-N 2.95Å |
| 288 | D | 75.8 | Confident | 81.6 | Confident | 158 Ų | 158 | 53.9 Ų | 53.9 | 85% | 0.845 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -27.1 | 178.1 | -57.3 | -49 | 0 | 0 | 0 | 112.7 | A290 | D288-A290 VanDerWaalsContact C-N 3.26Å; D288-A290 PolarHBondContact O-N 3.26Å |
| 289 | N | 74.6 | Confident | 81.4 | Confident | 56 Ų | 56 | 55 Ų | 55 | 30% | 0.299 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -11 | 174.5 | -71 | -54.8 | 0 | 0 | 0 | 113.9 | S287 N291 I292 I293 A337 | S287-N289 PolarHBondContact O-N 3.44Å; S287-N289 VanDerWaalsContact O-N 3.11Å; N289-N291 PolarHBondContact O-N 2.83Å; N289-I292 PolarHBondContact O-N 2.88Å; N289-I293 HydrophobicContact CB-CD1 4.33Å; N289-I293 WeakPolarHBondContact O-CG1 3.28Å; N289-I293 PolarHBondContact O-N 2.92Å; N289-A337 HydrophobicContact CB-CB 4.41Å |
| 290 | A | 76.8 | Confident | 81.2 | Confident | 17 Ų | 17 | 55 Ų | 55 | 14% | 0.14 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.4 | -40.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L284 A285 S287 D288 I292 I293 A294 | L284-A290 WeakPolarHBondContact O-CB 3.42Å; A285-A290 WeakPolarHBondContact O-CB 3.34Å; S287-A290 WeakPolarHBondContact O-CB 3.43Å; S287-A290 PolarHBondContact O-N 2.95Å; D288-A290 VanDerWaalsContact C-N 3.26Å; D288-A290 PolarHBondContact O-N 3.26Å; A290-I292 VanDerWaalsContact C-N 3.35Å; A290-I292 PolarHBondContact O-N 3.3Å; A290-I293 PolarHBondContact O-N 2.76Å; A290-A294 VanDerWaalsContact O-CB 3.3Å; A290-A294 WeakPolarHBondContact O-CB 3.46Å; A290-A294 PolarHBondContact O-N 3.4Å |
| 291 | N | 79.8 | Confident | 81 | Confident | 121 Ų | 121 | 57.4 Ų | 57.4 | 65% | 0.647 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -60.2 | -46.7 | 178.6 | -68.7 | -39.3 | 0 | 0 | 0 | 111 | N289 I293 A294 D295 | N289-N291 PolarHBondContact O-N 2.83Å; N291-I293 PolarHBondContact O-N 3.06Å; N291-A294 PolarHBondContact O-N 3.4Å; N291-D295 PolarHBondContact O-N 2.89Å |
| 292 | I | 81 | Confident | 81.1 | Confident | 72 Ų | 72 | 62.2 Ų | 62.2 | 37% | 0.369 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.3 | -43.3 | 179.2 | -57.8 | 173.3 | 0 | 0 | 0 | 110.7 | N289 A290 A294 D295 I296 | N289-I292 PolarHBondContact O-N 2.88Å; A290-I292 VanDerWaalsContact C-N 3.35Å; A290-I292 PolarHBondContact O-N 3.3Å; I292-A294 VanDerWaalsContact C-N 3.34Å; I292-D295 PolarHBondContact O-N 3.31Å; I292-I296 HydrophobicContact CG2-CD1 4.42Å; I292-I296 WeakPolarHBondContact O-CG1 3.14Å; I292-I296 PolarHBondContact O-N 3.23Å; I292-I296 VanDerWaalsContact O-N 3.12Å |
| 293 | I | 81.4 | Confident | 81.1 | Confident | 9 Ų | 9 | 61.3 Ų | 61.3 | 5% | 0.046 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.6 | -40.8 | 176.3 | -70.7 | 168.3 | 0 | 0 | 0 | 110.9 | N289 A290 N291 R297 L330 E334 | N289-I293 HydrophobicContact CB-CD1 4.33Å; N289-I293 WeakPolarHBondContact O-CG1 3.28Å; N289-I293 PolarHBondContact O-N 2.92Å; A290-I293 PolarHBondContact O-N 2.76Å; N291-I293 PolarHBondContact O-N 3.06Å; I293-R297 WeakPolarHBondContact O-CG 3.28Å; I293-R297 PolarHBondContact O-N 2.98Å; I293-R297 VanDerWaalsContact O-N 3.11Å; I293-L330 HydrophobicContact CG2-CD1 3.9Å; I293-E334 HydrophobicContact CD1-CG 4.25Å; I293-E334 HydrophobicContact CG2-CG 4.4Å |
| 294 | A | 79.9 | Confident | 80.6 | Confident | 41 Ų | 41 | 60.9 Ų | 60.9 | 34% | 0.339 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.5 | -38.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A290 N291 I292 R297 K298 | A290-A294 VanDerWaalsContact O-CB 3.3Å; A290-A294 WeakPolarHBondContact O-CB 3.46Å; A290-A294 PolarHBondContact O-N 3.4Å; N291-A294 PolarHBondContact O-N 3.4Å; I292-A294 VanDerWaalsContact C-N 3.34Å; A294-R297 PolarHBondContact O-N 2.81Å; A294-K298 WeakPolarHBondContact O-CG 3.47Å; A294-K298 PolarHBondContact O-N 2.84Å |
| 295 | D | 84 | Confident | 80.3 | Confident | 76 Ų | 76 | 64.1 Ų | 64.1 | 41% | 0.406 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -69.3 | -43.7 | 178.2 | -70.7 | -25.3 | 0 | 0 | 0 | 112.2 | N291 I292 R297 K298 D299 | N291-D295 PolarHBondContact O-N 2.89Å; I292-D295 PolarHBondContact O-N 3.31Å; D295-R297 VanDerWaalsContact C-N 3.27Å; D295-R297 PolarHBondContact O-N 2.85Å; D295-K298 WeakPolarHBondContact O-CB 3.31Å; D295-K298 PolarHBondContact O-N 2.83Å; D295-K298 VanDerWaalsContact O-N 3.12Å; D295-K298 IonicContact OD1-NZ 3.86Å; D295-K298 PolarHBondContact OD1-NZ 3.39Å; D295-D299 PolarHBondContact O-N 2.87Å |
| 296 | I | 82.2 | Confident | 80 | Confident | 9 Ų | 9 | 61.6 Ų | 61.6 | 5% | 0.046 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -57.7 | -41.6 | 172.2 | -58.8 | 159.3 | 0 | 0 | 0 | 111 | I292 D299 I300 L326 E329 L330 | I292-I296 HydrophobicContact CG2-CD1 4.42Å; I292-I296 WeakPolarHBondContact O-CG1 3.14Å; I292-I296 PolarHBondContact O-N 3.23Å; I292-I296 VanDerWaalsContact O-N 3.12Å; I296-D299 PolarHBondContact O-N 3.18Å; I296-I300 HydrophobicContact CG2-CD1 3.96Å; I296-I300 HydrophobicContact CG2-CG1 4.39Å; I296-I300 WeakPolarHBondContact O-CG1 3.47Å; I296-I300 PolarHBondContact O-N 2.89Å; I296-L326 HydrophobicContact CG2-CB 4.23Å; I296-L326 HydrophobicContact CG2-CD2 4.34Å; I296-E329 HydrophobicContact CD1-CG 4.21Å; I296-L330 HydrophobicContact CB-CD1 4.37Å; I296-L330 HydrophobicContact CG2-CB 3.87Å; I296-L330 HydrophobicContact CG2-CD1 4.35Å |
| 297 | R | 81.7 | Confident | 79.6 | Confident | 69 Ų | 69 | 57.7 Ų | 57.7 | 26% | 0.26 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.3 | -42.6 | 177.1 | -73.3 | 177.6 | -174.5 | 176.1 | 3.6 | 111.9 | I293 A294 D295 D299 I300 D301 L330 E334 | I293-R297 WeakPolarHBondContact O-CG 3.28Å; I293-R297 PolarHBondContact O-N 2.98Å; I293-R297 VanDerWaalsContact O-N 3.11Å; A294-R297 PolarHBondContact O-N 2.81Å; D295-R297 VanDerWaalsContact C-N 3.27Å; D295-R297 PolarHBondContact O-N 2.85Å; R297-D299 VanDerWaalsContact C-N 3.28Å; R297-D299 PolarHBondContact O-N 3.03Å; R297-I300 PolarHBondContact O-N 3.08Å; R297-D301 PolarHBondContact O-N 3.03Å; R297-L330 HydrophobicContact CG-CD1 4.11Å; R297-L330 HydrophobicContact CG-CD2 4.16Å; R297-E334 IonicContact CZ-OE1 2.78Å; R297-E334 IonicContact NE-OE1 3.57Å; R297-E334 IonicContact NH2-OE1 2.81Å; R297-E334 PolarHBondContact NH2-OE1 3.21Å |
| 298 | K | 84.2 | Confident | 79 | Confident | 110 Ų | 110 | 62.3 Ų | 62.3 | 48% | 0.478 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -58.6 | -40.5 | 173.5 | -68.5 | 166.5 | -160.2 | 161.4 | 0 | 111.3 | A294 D295 D301 K302 | A294-K298 WeakPolarHBondContact O-CG 3.47Å; A294-K298 PolarHBondContact O-N 2.84Å; D295-K298 WeakPolarHBondContact O-CB 3.31Å; D295-K298 PolarHBondContact O-N 2.83Å; D295-K298 VanDerWaalsContact O-N 3.12Å; D295-K298 IonicContact OD1-NZ 3.86Å; D295-K298 PolarHBondContact OD1-NZ 3.39Å; K298-D301 PolarHBondContact O-N 2.58Å; K298-K302 VanDerWaalsContact O-CG 3.25Å; K298-K302 WeakPolarHBondContact O-CG 3.41Å; K298-K302 PolarHBondContact O-N 3.13Å |
| 299 | D | 85.1 | Confident | 78.7 | Confident | 62 Ų | 62 | 63.1 Ų | 63.1 | 33% | 0.332 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -72.3 | -37.7 | -178.6 | -67.5 | -23 | 0 | 0 | 0 | 112.5 | D295 I296 R297 D301 K302 A303 L326 | D295-D299 PolarHBondContact O-N 2.87Å; I296-D299 PolarHBondContact O-N 3.18Å; R297-D299 VanDerWaalsContact C-N 3.28Å; R297-D299 PolarHBondContact O-N 3.03Å; D299-D301 PolarHBondContact O-N 3.46Å; D299-K302 PolarHBondContact O-N 3.22Å; D299-K302 WeakPolarHBondContact OD1-CE 3.47Å; D299-K302 IonicContact OD1-NZ 3.52Å; D299-K302 PolarHBondContact OD1-NZ 3.21Å; D299-A303 WeakPolarHBondContact O-CB 3.31Å; D299-A303 PolarHBondContact O-N 3.03Å; D299-L326 HydrophobicContact CB-CD1 4.08Å |
| 300 | I | 81.9 | Confident | 78 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.5 | -46.4 | 168.8 | -66.4 | 166.2 | 0 | 0 | 0 | 110.7 | T55 I296 R297 A303 L304 I323 L326 R327 L330 | T55-I300 HydrophobicContact CG2-CD1 4.35Å; T55-I300 HydrophobicContact CG2-CG2 4.22Å; T55-I300 VanDerWaalsContact OG1-CG2 3.31Å; T55-I300 WeakPolarHBondContact OG1-CG2 3.35Å; I296-I300 HydrophobicContact CG2-CD1 3.96Å; I296-I300 HydrophobicContact CG2-CG1 4.39Å; I296-I300 WeakPolarHBondContact O-CG1 3.47Å; I296-I300 PolarHBondContact O-N 2.89Å; R297-I300 PolarHBondContact O-N 3.08Å; I300-A303 PolarHBondContact O-N 2.88Å; I300-L304 HydrophobicContact CG2-CD1 4.02Å; I300-L304 HydrophobicContact CG2-CG 4.45Å; I300-L304 WeakPolarHBondContact O-CG 3.37Å; I300-L304 PolarHBondContact O-N 3.05Å; I300-I323 HydrophobicContact CG2-CG2 4.47Å; I300-L326 HydrophobicContact CD1-CB 4.09Å; I300-L326 HydrophobicContact CG1-CB 3.55Å; I300-L326 HydrophobicContact CG1-CD1 4.12Å; I300-L326 HydrophobicContact CG1-CG 4.47Å; I300-R327 HydrophobicContact CD1-CG 4.08Å; I300-L330 HydrophobicContact CD1-CB 4.45Å; I300-L330 HydrophobicContact CD1-CD2 3.84Å |
| 301 | D | 80.8 | Confident | 76.7 | Confident | 55 Ų | 55 | 69.6 Ų | 69.6 | 29% | 0.294 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -68.1 | -36.1 | -178.8 | -71.1 | -12.1 | 0 | 0 | 0 | 111.7 | T55 R297 K298 D299 L304 V305 | T55-D301 WeakPolarHBondContact CB-OD1 3.37Å; T55-D301 PolarHBondContact N-OD1 3.01Å; T55-D301 PolarHBondContact OG1-OD1 3.48Å; R297-D301 PolarHBondContact O-N 3.03Å; K298-D301 PolarHBondContact O-N 2.58Å; D299-D301 PolarHBondContact O-N 3.46Å; D301-L304 PolarHBondContact O-N 2.99Å; D301-V305 WeakPolarHBondContact O-CG2 3.23Å; D301-V305 PolarHBondContact O-N 2.7Å |
| 302 | K | 83.6 | Confident | 75.7 | Confident | 131 Ų | 131 | 70.2 Ų | 70.2 | 57% | 0.57 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -59.5 | -48.2 | 169.2 | -73.1 | 169 | -160.6 | 163.8 | 0 | 111.4 | K298 D299 L304 V305 G306 | K298-K302 VanDerWaalsContact O-CG 3.25Å; K298-K302 WeakPolarHBondContact O-CG 3.41Å; K298-K302 PolarHBondContact O-N 3.13Å; D299-K302 PolarHBondContact O-N 3.22Å; D299-K302 WeakPolarHBondContact OD1-CE 3.47Å; D299-K302 IonicContact OD1-NZ 3.52Å; D299-K302 PolarHBondContact OD1-NZ 3.21Å; K302-L304 VanDerWaalsContact C-N 3.34Å; K302-L304 PolarHBondContact O-N 3.04Å; K302-V305 PolarHBondContact O-N 2.91Å; K302-G306 PolarHBondContact O-N 2.92Å |
| 303 | A | 80.6 | Confident | 74.5 | Confident | 3 Ų | 3 | 76.4 Ų | 76.4 | 3% | 0.025 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.4 | -36.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112 | D299 I300 G306 M307 F319 I323 | D299-A303 WeakPolarHBondContact O-CB 3.31Å; D299-A303 PolarHBondContact O-N 3.03Å; I300-A303 PolarHBondContact O-N 2.88Å; A303-G306 PolarHBondContact O-N 2.83Å; A303-M307 WeakPolarHBondContact O-CB 3.46Å; A303-M307 PolarHBondContact O-N 2.92Å; A303-F319 HydrophobicContact CB-CD1 4.32Å; A303-I323 HydrophobicContact CB-CD1 3.99Å; A303-I323 HydrophobicContact CB-CG1 3.58Å |
| 304 | L | 75 | Confident | 73.6 | Confident | 36 Ų | 36 | 78.5 Ų | 78.5 | 19% | 0.188 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -62.6 | -41.3 | 172.3 | -75.5 | 169.1 | 0 | 0 | 0 | 112.4 | I300 D301 K302 K308 I323 | I300-L304 HydrophobicContact CG2-CD1 4.02Å; I300-L304 HydrophobicContact CG2-CG 4.45Å; I300-L304 WeakPolarHBondContact O-CG 3.37Å; I300-L304 PolarHBondContact O-N 3.05Å; D301-L304 PolarHBondContact O-N 2.99Å; K302-L304 VanDerWaalsContact C-N 3.34Å; K302-L304 PolarHBondContact O-N 3.04Å; L304-K308 PolarHBondContact O-N 2.93Å; L304-K308 VanDerWaalsContact O-N 3.1Å; L304-I323 HydrophobicContact CD2-CD1 3.91Å; L304-I323 HydrophobicContact CG-CD1 4.1Å |
| 305 | V | 77.4 | Confident | 73 | Confident | 78 Ų | 78 | 79.7 Ų | 79.7 | 47% | 0.473 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -67.5 | -40.8 | 174.5 | 172.4 | 0 | 0 | 0 | 0 | 111.4 | D301 K302 K308 K309 | D301-V305 WeakPolarHBondContact O-CG2 3.23Å; D301-V305 PolarHBondContact O-N 2.7Å; K302-V305 PolarHBondContact O-N 2.91Å; V305-K308 PolarHBondContact O-N 2.85Å; V305-K309 HydrophobicContact CG1-CD 4.21Å; V305-K309 PolarHBondContact O-N 3.37Å |
| 306 | G | 74.8 | Confident | 72.2 | Confident | 19 Ų | 19 | 80.8 Ų | 80.8 | 20% | 0.196 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -58.3 | -46.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | K302 A303 K308 K309 K310 | K302-G306 PolarHBondContact O-N 2.92Å; A303-G306 PolarHBondContact O-N 2.83Å; G306-K308 VanDerWaalsContact C-N 3.32Å; G306-K308 PolarHBondContact O-N 2.8Å; G306-K309 PolarHBondContact O-N 3.24Å; G306-K310 PolarHBondContact O-N 2.81Å |
| 307 | M | 71.8 | Confident | 71.8 | Confident | 63 Ų | 63 | 81.9 Ų | 81.9 | 31% | 0.31 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.2 | -32.9 | 176 | -178.5 | -178.1 | 145.3 | 0 | 0 | 113.1 | A303 R316 F319 I323 | A303-M307 WeakPolarHBondContact O-CB 3.46Å; A303-M307 PolarHBondContact O-N 2.92Å; M307-R316 VanDerWaalsContact O-CZ 3.3Å; M307-R316 PolarHBondContact O-NH1 2.9Å; M307-F319 HydrophobicContact CB-CB 4.24Å; M307-I323 HydrophobicContact SD-CD1 4.42Å |
| 308 | K | 67.2 | Low | 71.8 | Confident | 123 Ų | 123 | 83.4 Ų | 83.4 | 54% | 0.535 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -73.1 | -39.1 | 174 | -76.2 | -173.1 | -179.3 | -178.8 | 0 | 112.7 | L304 V305 G306 | L304-K308 PolarHBondContact O-N 2.93Å; L304-K308 VanDerWaalsContact O-N 3.1Å; V305-K308 PolarHBondContact O-N 2.85Å; G306-K308 VanDerWaalsContact C-N 3.32Å; G306-K308 PolarHBondContact O-N 2.8Å |
| 309 | K | 68.1 | Low | 71.5 | Confident | 176 Ų | 176 | 80.3 Ų | 80.3 | 77% | 0.765 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -76.3 | -22.7 | -174 | -75.7 | -175.8 | 177 | -177.9 | 0 | 115.4 | V305 G306 | V305-K309 HydrophobicContact CG1-CD 4.21Å; V305-K309 PolarHBondContact O-N 3.37Å; G306-K309 PolarHBondContact O-N 3.24Å |
| 310 | K | 60.1 | Low | 71.1 | Confident | 93 Ų | 93 | 83.9 Ų | 83.9 | 40% | 0.404 | 43% | 0.427 | S | S | . | . | trans | -112.3 | 134.6 | -173.5 | -67 | -156.8 | 179.8 | -177.9 | 0 | 113.9 | G306 E315 R316 | G306-K310 PolarHBondContact O-N 2.81Å; K310-E315 WeakPolarHBondContact CD-OE2 3.24Å; K310-E315 WeakPolarHBondContact CE-OE2 3.45Å; K310-E315 IonicContact NZ-OE1 2.65Å; K310-E315 PolarHBondContact NZ-OE1 3.26Å; K310-E315 IonicContact NZ-OE2 2.68Å; K310-E315 PolarHBondContact NZ-OE2 3.49Å; K310-R316 PolarHBondContact O-NH1 3.12Å | ||
| 311 | S | 50.2 | Low | 71.1 | Confident | 116 Ų | 116 | 92.4 Ų | 92.4 | 81% | 0.811 | 46% | 0.459 | S | S | * | . | trans | -91.6 | -16 | -171.2 | -160.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 312 | E | 57.9 | Low | 71.3 | Confident | 133 Ų | 133 | 93.9 Ų | 93.9 | 62% | 0.621 | 46% | 0.464 | S | S | * | . | trans | -73.3 | 133.6 | -173.2 | -67.2 | -165.7 | 169.7 | 0 | 0 | 113.7 | G314 R316 | E312-G314 VanDerWaalsContact C-N 3.27Å; E312-G314 PolarHBondContact O-N 3.2Å; E312-R316 WeakPolarHBondContact O-CG 3.27Å; E312-R316 PolarHBondContact O-N 2.77Å | ||
| 313 | K | 57.1 | Low | 71.3 | Confident | 203 Ų | 203 | 88.2 Ų | 88.2 | 88% | 0.883 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -27 | -173.9 | -155 | 174.7 | -174.4 | 179.1 | 0 | 113.1 | ||
| 314 | G | 63 | Low | 71.3 | Confident | 53 Ų | 53 | 89.7 Ų | 89.7 | 55% | 0.546 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -54 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | E312 R316 G317 N318 | E312-G314 VanDerWaalsContact C-N 3.27Å; E312-G314 PolarHBondContact O-N 3.2Å; G314-R316 VanDerWaalsContact C-N 3.33Å; G314-R316 PolarHBondContact O-N 2.85Å; G314-G317 WeakPolarHBondContact O-CA 3.34Å; G314-G317 PolarHBondContact O-N 3.23Å; G314-N318 PolarHBondContact O-N 2.89Å |
| 315 | E | 66.1 | Low | 71.9 | Confident | 66 Ų | 66 | 94.4 Ų | 94.4 | 31% | 0.308 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.4 | -36.6 | -179 | -67.3 | -167.2 | 134.2 | 0 | 0 | 112.7 | K310 G317 N318 F319 | K310-E315 WeakPolarHBondContact CD-OE2 3.24Å; K310-E315 WeakPolarHBondContact CE-OE2 3.45Å; K310-E315 IonicContact NZ-OE1 2.65Å; K310-E315 PolarHBondContact NZ-OE1 3.26Å; K310-E315 IonicContact NZ-OE2 2.68Å; K310-E315 PolarHBondContact NZ-OE2 3.49Å; E315-G317 PolarHBondContact O-N 3.17Å; E315-N318 PolarHBondContact O-N 3.24Å; E315-N318 VanDerWaalsContact O-N 3.09Å; E315-F319 HydrophobicContact CB-CE2 4.43Å; E315-F319 VanDerWaalsContact O-CD2 3.24Å; E315-F319 WeakPolarHBondContact O-CD2 3.42Å; E315-F319 PolarHBondContact O-N 3.28Å; E315-F319 VanDerWaalsContact O-N 3.13Å |
| 316 | R | 68.7 | Low | 72.3 | Confident | 99 Ų | 99 | 92 Ų | 92 | 37% | 0.374 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -58.2 | -29.9 | 172.3 | -73.4 | 176.7 | 100.3 | 98.5 | -7.8 | 112.9 | M307 K310 E312 G314 K320 | M307-R316 VanDerWaalsContact O-CZ 3.3Å; M307-R316 PolarHBondContact O-NH1 2.9Å; K310-R316 PolarHBondContact O-NH1 3.12Å; E312-R316 WeakPolarHBondContact O-CG 3.27Å; E312-R316 PolarHBondContact O-N 2.77Å; G314-R316 VanDerWaalsContact C-N 3.33Å; G314-R316 PolarHBondContact O-N 2.85Å; R316-K320 WeakPolarHBondContact O-CB 3.37Å; R316-K320 PolarHBondContact O-N 3.31Å; R316-K320 VanDerWaalsContact O-N 3.12Å |
| 317 | G | 73.4 | Confident | 72.7 | Confident | 32 Ų | 32 | 92.9 Ų | 92.9 | 33% | 0.33 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -68.2 | -39.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | G314 E315 K320 R321 | G314-G317 WeakPolarHBondContact O-CA 3.34Å; G314-G317 PolarHBondContact O-N 3.23Å; E315-G317 PolarHBondContact O-N 3.17Å; G317-K320 PolarHBondContact O-N 3.21Å; G317-R321 PolarHBondContact O-N 2.87Å |
| 318 | N | 80.6 | Confident | 73.3 | Confident | 101 Ų | 101 | 96.1 Ų | 96.1 | 54% | 0.54 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -68.1 | -49.2 | 177.9 | -69.4 | -9.6 | 0 | 0 | 0 | 111.1 | G314 E315 K320 R321 E322 | G314-N318 PolarHBondContact O-N 2.89Å; E315-N318 PolarHBondContact O-N 3.24Å; E315-N318 VanDerWaalsContact O-N 3.09Å; N318-K320 VanDerWaalsContact C-N 3.27Å; N318-K320 PolarHBondContact O-N 3.44Å; N318-R321 WeakPolarHBondContact O-CB 3.5Å; N318-R321 PolarHBondContact O-N 2.87Å; N318-E322 PolarHBondContact O-N 3.38Å |
| 319 | F | 77.6 | Confident | 74.2 | Confident | 45 Ų | 45 | 93.9 Ų | 93.9 | 20% | 0.197 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -58.9 | -36 | 175 | -69.6 | -63.7 | 0 | 0 | 0 | 112.5 | A303 M307 E315 R321 E322 I323 | A303-F319 HydrophobicContact CB-CD1 4.32Å; M307-F319 HydrophobicContact CB-CB 4.24Å; E315-F319 HydrophobicContact CB-CE2 4.43Å; E315-F319 VanDerWaalsContact O-CD2 3.24Å; E315-F319 WeakPolarHBondContact O-CD2 3.42Å; E315-F319 PolarHBondContact O-N 3.28Å; E315-F319 VanDerWaalsContact O-N 3.13Å; F319-R321 VanDerWaalsContact C-N 3.33Å; F319-R321 PolarHBondContact O-N 2.83Å; F319-E322 VanDerWaalsContact CD1-OE2 3.27Å; F319-E322 WeakPolarHBondContact CD1-OE2 3.44Å; F319-I323 WeakPolarHBondContact O-CB 3.31Å; F319-I323 WeakPolarHBondContact O-CD1 3.44Å; F319-I323 WeakPolarHBondContact O-CG1 3.48Å; F319-I323 PolarHBondContact O-N 3.28Å |
| 320 | K | 77.7 | Confident | 75 | Confident | 137 Ų | 137 | 85.5 Ų | 85.5 | 60% | 0.596 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -65.7 | -33.5 | 175.3 | -168.7 | 176.5 | -178.6 | -178.1 | 0 | 112.5 | D124 R316 G317 N318 G324 | D124-K320 IonicContact OD1-NZ 3.61Å; R316-K320 WeakPolarHBondContact O-CB 3.37Å; R316-K320 PolarHBondContact O-N 3.31Å; R316-K320 VanDerWaalsContact O-N 3.12Å; G317-K320 PolarHBondContact O-N 3.21Å; N318-K320 VanDerWaalsContact C-N 3.27Å; N318-K320 PolarHBondContact O-N 3.44Å; K320-G324 PolarHBondContact O-N 2.88Å |
| 321 | R | 82.1 | Confident | 76.1 | Confident | 178 Ų | 178 | 85 Ų | 85 | 67% | 0.672 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -71.9 | -49.6 | 174.3 | -71.7 | 176.5 | 177.6 | 175.2 | -1.5 | 111.5 | G317 N318 F319 I323 G324 E325 | G317-R321 PolarHBondContact O-N 2.87Å; N318-R321 WeakPolarHBondContact O-CB 3.5Å; N318-R321 PolarHBondContact O-N 2.87Å; F319-R321 VanDerWaalsContact C-N 3.33Å; F319-R321 PolarHBondContact O-N 2.83Å; R321-I323 PolarHBondContact O-N 2.66Å; R321-G324 CarbonylContact O-C 3.56Å; R321-G324 WeakPolarHBondContact O-CA 3.34Å; R321-G324 PolarHBondContact O-N 2.91Å; R321-E325 PolarHBondContact O-N 3.39Å |
| 322 | E | 85.2 | Confident | 77.8 | Confident | 86 Ų | 86 | 84.4 Ų | 84.4 | 40% | 0.402 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -54.9 | -49.3 | 176.8 | -177.2 | -177.7 | -169.1 | 0 | 0 | 111.7 | N318 F319 G324 E325 L326 | N318-E322 PolarHBondContact O-N 3.38Å; F319-E322 VanDerWaalsContact CD1-OE2 3.27Å; F319-E322 WeakPolarHBondContact CD1-OE2 3.44Å; E322-G324 VanDerWaalsContact C-N 3.26Å; E322-G324 PolarHBondContact O-N 3.17Å; E322-E325 PolarHBondContact O-N 3.23Å; E322-L326 HydrophobicContact CG-CD1 4.07Å; E322-L326 WeakPolarHBondContact O-CB 3.35Å; E322-L326 WeakPolarHBondContact O-CG 3.26Å; E322-L326 PolarHBondContact O-N 2.85Å |
| 323 | I | 82.3 | Confident | 79.1 | Confident | 12 Ų | 12 | 82.5 Ų | 82.5 | 6% | 0.062 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -59.1 | -37.6 | 173.6 | -69.4 | 164.7 | 0 | 0 | 0 | 111.4 | I300 A303 L304 M307 F319 R321 R327 | I300-I323 HydrophobicContact CG2-CG2 4.47Å; A303-I323 HydrophobicContact CB-CD1 3.99Å; A303-I323 HydrophobicContact CB-CG1 3.58Å; L304-I323 HydrophobicContact CD2-CD1 3.91Å; L304-I323 HydrophobicContact CG-CD1 4.1Å; M307-I323 HydrophobicContact SD-CD1 4.42Å; F319-I323 WeakPolarHBondContact O-CB 3.31Å; F319-I323 WeakPolarHBondContact O-CD1 3.44Å; F319-I323 WeakPolarHBondContact O-CG1 3.48Å; F319-I323 PolarHBondContact O-N 3.28Å; R321-I323 PolarHBondContact O-N 2.66Å; I323-R327 HydrophobicContact CG2-CG 4.34Å; I323-R327 VanDerWaalsContact O-CB 3.22Å; I323-R327 WeakPolarHBondContact O-CB 3.4Å; I323-R327 WeakPolarHBondContact O-CG 3.35Å; I323-R327 PolarHBondContact O-N 3.44Å |
| 324 | G | 81.4 | Confident | 80.4 | Confident | 35 Ų | 35 | 73 Ų | 73 | 36% | 0.361 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.8 | -41.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | K320 R321 E322 K328 | K320-G324 PolarHBondContact O-N 2.88Å; R321-G324 CarbonylContact O-C 3.56Å; R321-G324 WeakPolarHBondContact O-CA 3.34Å; R321-G324 PolarHBondContact O-N 2.91Å; E322-G324 VanDerWaalsContact C-N 3.26Å; E322-G324 PolarHBondContact O-N 3.17Å; G324-K328 PolarHBondContact O-N 2.9Å; G324-K328 VanDerWaalsContact O-N 3.07Å |
| 325 | E | 86.9 | Confident | 81.5 | Confident | 135 Ų | 135 | 72.7 Ų | 72.7 | 63% | 0.631 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -69.4 | -50 | 177 | -72.1 | 172.8 | -175.1 | 0 | 0 | 111.2 | R321 E322 R327 K328 E329 | R321-E325 PolarHBondContact O-N 3.39Å; E322-E325 PolarHBondContact O-N 3.23Å; E325-R327 VanDerWaalsContact C-N 3.32Å; E325-R327 PolarHBondContact O-N 2.84Å; E325-K328 WeakPolarHBondContact O-CA 3.39Å; E325-K328 WeakPolarHBondContact O-CB 3.47Å; E325-K328 PolarHBondContact O-N 2.84Å; E325-E329 PolarHBondContact O-N 2.73Å |
| 326 | L | 86 | Confident | 82.5 | Confident | 27 Ų | 27 | 72.5 Ų | 72.5 | 14% | 0.141 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58.9 | -40.2 | 175.1 | -68.3 | 171.8 | 0 | 0 | 0 | 112 | I296 D299 I300 E322 K328 E329 L330 | I296-L326 HydrophobicContact CG2-CB 4.23Å; I296-L326 HydrophobicContact CG2-CD2 4.34Å; D299-L326 HydrophobicContact CB-CD1 4.08Å; I300-L326 HydrophobicContact CD1-CB 4.09Å; I300-L326 HydrophobicContact CG1-CB 3.55Å; I300-L326 HydrophobicContact CG1-CD1 4.12Å; I300-L326 HydrophobicContact CG1-CG 4.47Å; E322-L326 HydrophobicContact CG-CD1 4.07Å; E322-L326 WeakPolarHBondContact O-CB 3.35Å; E322-L326 WeakPolarHBondContact O-CG 3.26Å; E322-L326 PolarHBondContact O-N 2.85Å; L326-K328 VanDerWaalsContact C-N 3.31Å; L326-K328 PolarHBondContact O-N 3.1Å; L326-E329 PolarHBondContact O-N 3.37Å; L326-L330 VanDerWaalsContact O-CB 3.24Å; L326-L330 WeakPolarHBondContact O-CB 3.46Å; L326-L330 PolarHBondContact O-N 3Å |
| 327 | R | 82.6 | Confident | 83.5 | Confident | 37 Ų | 37 | 67.8 Ų | 67.8 | 14% | 0.14 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65 | -32.2 | 172.6 | -77.9 | 177 | -176.5 | -167.5 | 4.2 | 112.8 | D121 I300 I323 E325 R331 | D121-R327 IonicContact OD1-CZ 2.75Å; D121-R327 IonicContact OD1-NH1 3.46Å; D121-R327 PolarHBondContact OD1-NH1 2.84Å; I300-R327 HydrophobicContact CD1-CG 4.08Å; I323-R327 HydrophobicContact CG2-CG 4.34Å; I323-R327 VanDerWaalsContact O-CB 3.22Å; I323-R327 WeakPolarHBondContact O-CB 3.4Å; I323-R327 WeakPolarHBondContact O-CG 3.35Å; I323-R327 PolarHBondContact O-N 3.44Å; E325-R327 VanDerWaalsContact C-N 3.32Å; E325-R327 PolarHBondContact O-N 2.84Å; R327-R331 WeakPolarHBondContact O-CB 3.45Å; R327-R331 VanDerWaalsContact O-CG 3.31Å; R327-R331 WeakPolarHBondContact O-CG 3.21Å; R327-R331 PolarHBondContact O-N 2.83Å; R327-R331 VanDerWaalsContact O-N 3.12Å; R327-R331 PolarHBondContact O-NE 2.97Å |
| 328 | K | 84.9 | Confident | 84.2 | Confident | 132 Ų | 132 | 66.3 Ų | 66.3 | 57% | 0.574 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -70.9 | -44.9 | 175.4 | -171 | -176.9 | 178.3 | -173.7 | 0 | 110.6 | G324 E325 L326 R331 N332 | G324-K328 PolarHBondContact O-N 2.9Å; G324-K328 VanDerWaalsContact O-N 3.07Å; E325-K328 WeakPolarHBondContact O-CA 3.39Å; E325-K328 WeakPolarHBondContact O-CB 3.47Å; E325-K328 PolarHBondContact O-N 2.84Å; L326-K328 VanDerWaalsContact C-N 3.31Å; L326-K328 PolarHBondContact O-N 3.1Å; K328-R331 PolarHBondContact O-N 3.06Å; K328-N332 WeakPolarHBondContact O-CB 3.36Å; K328-N332 VanDerWaalsContact O-CG 3.23Å; K328-N332 PolarHBondContact O-N 3.13Å; K328-N332 PolarHBondContact O-OD1 3.16Å |
| 329 | E | 86.9 | Confident | 84.7 | Confident | 75 Ų | 75 | 62.3 Ų | 62.3 | 35% | 0.35 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.7 | -46.3 | 175.3 | -172.2 | 174.7 | 173.8 | 0 | 0 | 111.9 | I296 E325 L326 R331 N332 R333 | I296-E329 HydrophobicContact CD1-CG 4.21Å; E325-E329 PolarHBondContact O-N 2.73Å; L326-E329 PolarHBondContact O-N 3.37Å; E329-R331 PolarHBondContact O-N 2.68Å; E329-N332 PolarHBondContact O-N 3.01Å; E329-R333 PolarHBondContact O-N 2.94Å; E329-R333 IonicContact OE1-CZ 3Å; E329-R333 IonicContact OE1-NH1 2.66Å; E329-R333 PolarHBondContact OE1-NH1 3Å; E329-R333 IonicContact OE1-NH2 2.72Å; E329-R333 PolarHBondContact OE1-NH2 3.14Å |
| 330 | L | 84.2 | Confident | 85.3 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -54 | -52.7 | 174.6 | -178.9 | 64.1 | 0 | 0 | 0 | 111.3 | T55 I293 I296 R297 I300 L326 N332 R333 E334 | T55-L330 HydrophobicContact CG2-CD2 4.34Å; I293-L330 HydrophobicContact CG2-CD1 3.9Å; I296-L330 HydrophobicContact CB-CD1 4.37Å; I296-L330 HydrophobicContact CG2-CB 3.87Å; I296-L330 HydrophobicContact CG2-CD1 4.35Å; R297-L330 HydrophobicContact CG-CD1 4.11Å; R297-L330 HydrophobicContact CG-CD2 4.16Å; I300-L330 HydrophobicContact CD1-CB 4.45Å; I300-L330 HydrophobicContact CD1-CD2 3.84Å; L326-L330 VanDerWaalsContact O-CB 3.24Å; L326-L330 WeakPolarHBondContact O-CB 3.46Å; L326-L330 PolarHBondContact O-N 3Å; L330-N332 VanDerWaalsContact C-N 3.31Å; L330-N332 PolarHBondContact O-N 3.34Å; L330-R333 PolarHBondContact O-N 2.94Å; L330-E334 HydrophobicContact CD1-CG 4.07Å; L330-E334 HydrophobicContact CG-CG 4.33Å; L330-E334 WeakPolarHBondContact O-CB 3.36Å; L330-E334 WeakPolarHBondContact O-CG 3.31Å; L330-E334 PolarHBondContact O-N 3.09Å |
| 331 | R | 83.1 | Confident | 85.9 | Confident | 84 Ų | 84 | 60.5 Ų | 60.5 | 32% | 0.317 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.2 | -37 | 179.6 | -76.5 | 179 | -65.3 | -139 | 1.2 | 112.7 | D121 R327 K328 E329 T335 | D121-R331 IonicContact OD2-NH1 2.7Å; R327-R331 WeakPolarHBondContact O-CB 3.45Å; R327-R331 VanDerWaalsContact O-CG 3.31Å; R327-R331 WeakPolarHBondContact O-CG 3.21Å; R327-R331 PolarHBondContact O-N 2.83Å; R327-R331 VanDerWaalsContact O-N 3.12Å; R327-R331 PolarHBondContact O-NE 2.97Å; K328-R331 PolarHBondContact O-N 3.06Å; E329-R331 PolarHBondContact O-N 2.68Å; R331-T335 WeakPolarHBondContact O-CB 3.47Å; R331-T335 PolarHBondContact O-N 3.14Å; R331-T335 PolarHBondContact O-OG1 2.99Å |
| 332 | N | 86.7 | Confident | 86.4 | Confident | 102 Ų | 102 | 52 Ų | 52 | 55% | 0.545 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -66.3 | -46.6 | 177.1 | -72.7 | -3.1 | 0 | 0 | 0 | 111.5 | K328 E329 L330 T335 A336 | K328-N332 WeakPolarHBondContact O-CB 3.36Å; K328-N332 VanDerWaalsContact O-CG 3.23Å; K328-N332 PolarHBondContact O-N 3.13Å; K328-N332 PolarHBondContact O-OD1 3.16Å; E329-N332 PolarHBondContact O-N 3.01Å; L330-N332 VanDerWaalsContact C-N 3.31Å; L330-N332 PolarHBondContact O-N 3.34Å; N332-T335 PolarHBondContact O-N 3.21Å; N332-A336 PolarHBondContact O-N 2.93Å |
| 333 | R | 85 | Confident | 86.8 | Confident | 94 Ų | 94 | 53.7 Ų | 53.7 | 36% | 0.355 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -68 | -43.9 | 177.2 | -72.3 | -163.2 | 178 | 118 | 20.4 | 112.5 | E329 L330 T335 A336 A337 | E329-R333 PolarHBondContact O-N 2.94Å; E329-R333 IonicContact OE1-CZ 3Å; E329-R333 IonicContact OE1-NH1 2.66Å; E329-R333 PolarHBondContact OE1-NH1 3Å; E329-R333 IonicContact OE1-NH2 2.72Å; E329-R333 PolarHBondContact OE1-NH2 3.14Å; L330-R333 PolarHBondContact O-N 2.94Å; R333-T335 VanDerWaalsContact C-N 3.32Å; R333-T335 PolarHBondContact O-N 2.77Å; R333-A336 PolarHBondContact O-N 3.39Å; R333-A337 PolarHBondContact O-N 3.04Å |
| 334 | E | 84.1 | Confident | 87.2 | Confident | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.009 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.2 | -44.5 | 173.6 | -75.2 | -175.3 | 165.1 | 0 | 0 | 110.8 | Y58 I293 R297 L330 A336 A337 I338 | Y58-E334 VanDerWaalsContact CA-OE2 3.27Å; Y58-E334 WeakPolarHBondContact CA-OE2 3.25Å; Y58-E334 PolarHBondContact N-OE2 3.24Å; I293-E334 HydrophobicContact CD1-CG 4.25Å; I293-E334 HydrophobicContact CG2-CG 4.4Å; R297-E334 IonicContact CZ-OE1 2.78Å; R297-E334 IonicContact NE-OE1 3.57Å; R297-E334 IonicContact NH2-OE1 2.81Å; R297-E334 PolarHBondContact NH2-OE1 3.21Å; L330-E334 HydrophobicContact CD1-CG 4.07Å; L330-E334 HydrophobicContact CG-CG 4.33Å; L330-E334 WeakPolarHBondContact O-CB 3.36Å; L330-E334 WeakPolarHBondContact O-CG 3.31Å; L330-E334 PolarHBondContact O-N 3.09Å; E334-A336 PolarHBondContact O-N 3.02Å; E334-A337 PolarHBondContact O-N 3.12Å; E334-I338 HydrophobicContact CB-CD1 4.48Å; E334-I338 VanDerWaalsContact O-CB 3.29Å; E334-I338 WeakPolarHBondContact O-CB 3.34Å; E334-I338 WeakPolarHBondContact O-CD1 3.24Å; E334-I338 WeakPolarHBondContact O-CG1 3.48Å; E334-I338 PolarHBondContact O-N 2.7Å |
| 335 | T | 86 | Confident | 87.8 | Confident | 48 Ų | 48 | 55.1 Ų | 55.1 | 29% | 0.294 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.7 | -44.7 | 177.3 | -67 | 0 | 0 | 0 | 0 | 112.5 | R331 N332 R333 A339 F363 | R331-T335 WeakPolarHBondContact O-CB 3.47Å; R331-T335 PolarHBondContact O-N 3.14Å; R331-T335 PolarHBondContact O-OG1 2.99Å; N332-T335 PolarHBondContact O-N 3.21Å; R333-T335 VanDerWaalsContact C-N 3.32Å; R333-T335 PolarHBondContact O-N 2.77Å; T335-A339 WeakPolarHBondContact O-CB 3.35Å; T335-A339 PolarHBondContact O-N 3.42Å; T335-F363 HydrophobicContact CG2-CD1 3.61Å; T335-F363 HydrophobicContact CG2-CE1 3.33Å; T335-F363 HydrophobicContact CG2-CG 4.33Å; T335-F363 HydrophobicContact CG2-CZ 3.85Å |
| 336 | A | 87.8 | Confident | 88.1 | Confident | 61 Ų | 61 | 50.4 Ų | 50.4 | 50% | 0.504 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.1 | -48.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | N332 R333 E334 I338 A339 E340 | N332-A336 PolarHBondContact O-N 2.93Å; R333-A336 PolarHBondContact O-N 3.39Å; E334-A336 PolarHBondContact O-N 3.02Å; A336-I338 PolarHBondContact O-N 3.19Å; A336-A339 PolarHBondContact O-N 2.86Å; A336-E340 PolarHBondContact O-N 3.27Å; A336-E340 VanDerWaalsContact O-N 3.09Å |
| 337 | A | 88.1 | Confident | 88.6 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.008 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.3 | -41.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L284 N289 R333 E334 A339 E340 I341 | L284-A337 HydrophobicContact CD2-CB 3.74Å; N289-A337 HydrophobicContact CB-CB 4.41Å; R333-A337 PolarHBondContact O-N 3.04Å; E334-A337 PolarHBondContact O-N 3.12Å; A337-A339 VanDerWaalsContact C-N 3.34Å; A337-A339 PolarHBondContact O-N 3.18Å; A337-E340 PolarHBondContact O-N 3.42Å; A337-I341 WeakPolarHBondContact O-CB 3.29Å; A337-I341 WeakPolarHBondContact O-CD1 3.36Å; A337-I341 VanDerWaalsContact O-CG1 3.28Å; A337-I341 WeakPolarHBondContact O-CG1 3.35Å; A337-I341 PolarHBondContact O-N 3.35Å |
| 338 | I | 89.2 | Confident | 89.3 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60 | -44.2 | 174.4 | -71 | 165.2 | 0 | 0 | 0 | 110.7 | Y58 L280 L284 E334 A336 E340 I341 L342 P360 F363 | Y58-I338 HydrophobicContact CE1-CD1 3.65Å; L280-I338 HydrophobicContact CD1-CG1 4.31Å; L280-I338 HydrophobicContact CD1-CG2 4.34Å; L280-I338 HydrophobicContact CD2-CG1 4.29Å; L280-I338 HydrophobicContact CD2-CG2 4.26Å; L284-I338 HydrophobicContact CD1-CD1 4.25Å; L284-I338 HydrophobicContact CD1-CG1 3.78Å; L284-I338 HydrophobicContact CD2-CG1 3.91Å; L284-I338 HydrophobicContact CG-CG1 4.32Å; E334-I338 HydrophobicContact CB-CD1 4.48Å; E334-I338 VanDerWaalsContact O-CB 3.29Å; E334-I338 WeakPolarHBondContact O-CB 3.34Å; E334-I338 WeakPolarHBondContact O-CD1 3.24Å; E334-I338 WeakPolarHBondContact O-CG1 3.48Å; E334-I338 PolarHBondContact O-N 2.7Å; A336-I338 PolarHBondContact O-N 3.19Å; I338-E340 VanDerWaalsContact C-N 3.33Å; I338-E340 PolarHBondContact O-N 2.95Å; I338-I341 PolarHBondContact O-N 3.17Å; I338-L342 HydrophobicContact CG2-CD1 3.56Å; I338-L342 HydrophobicContact CG2-CG 4.23Å; I338-L342 VanDerWaalsContact O-CB 3.3Å; I338-L342 WeakPolarHBondContact O-CB 3.46Å; I338-L342 WeakPolarHBondContact O-CD1 3.42Å; I338-L342 VanDerWaalsContact O-CG 3.22Å; I338-L342 WeakPolarHBondContact O-CG 3.45Å; I338-L342 PolarHBondContact O-N 3.2Å; I338-P360 HydrophobicContact CG2-CB 4.19Å; I338-F363 HydrophobicContact CB-CD2 4.34Å; I338-F363 HydrophobicContact CD1-CE2 4.5Å; I338-F363 HydrophobicContact CG2-CD2 3.6Å; I338-F363 HydrophobicContact CG2-CE2 4Å |
| 339 | A | 90.1 | Very high | 89.8 | Confident | 17 Ų | 17 | 41.1 Ų | 41.1 | 14% | 0.14 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.5 | -37 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | T335 A336 A337 K343 F363 | T335-A339 WeakPolarHBondContact O-CB 3.35Å; T335-A339 PolarHBondContact O-N 3.42Å; A336-A339 PolarHBondContact O-N 2.86Å; A337-A339 VanDerWaalsContact C-N 3.34Å; A337-A339 PolarHBondContact O-N 3.18Å; A339-K343 WeakPolarHBondContact O-CD 3.43Å; A339-K343 VanDerWaalsContact O-CG 3.23Å; A339-K343 WeakPolarHBondContact O-CG 3.39Å; A339-K343 PolarHBondContact O-N 3.44Å; A339-F363 HydrophobicContact CB-CB 3.97Å |
| 340 | E | 90.5 | Very high | 90.2 | Very high | 127 Ų | 127 | 37.5 Ų | 37.5 | 59% | 0.593 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -68.9 | -48.3 | 175.6 | -177.2 | 172 | -158.2 | 0 | 0 | 112 | A336 A337 I338 L342 K343 S344 | A336-E340 PolarHBondContact O-N 3.27Å; A336-E340 VanDerWaalsContact O-N 3.09Å; A337-E340 PolarHBondContact O-N 3.42Å; I338-E340 VanDerWaalsContact C-N 3.33Å; I338-E340 PolarHBondContact O-N 2.95Å; E340-L342 VanDerWaalsContact C-N 3.32Å; E340-L342 PolarHBondContact O-N 2.85Å; E340-K343 PolarHBondContact O-N 3.46Å; E340-S344 PolarHBondContact O-N 2.89Å; E340-S344 PolarHBondContact O-OG 3.18Å |
| 341 | I | 91.6 | Very high | 90.5 | Very high | 17 Ų | 17 | 38.1 Ų | 38.1 | 9% | 0.087 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.5 | -42.3 | 176.4 | -68.9 | 162.5 | 0 | 0 | 0 | 111.2 | L263 L280 I283 L284 A337 I338 S344 A345 | L263-I341 HydrophobicContact CD1-CG2 3.88Å; L263-I341 HydrophobicContact CD2-CG2 3.93Å; L280-I341 HydrophobicContact CD1-CG2 4.04Å; I283-I341 HydrophobicContact CB-CG2 4.47Å; I283-I341 HydrophobicContact CG2-CD1 3.97Å; I283-I341 HydrophobicContact CG2-CG1 4.05Å; I283-I341 HydrophobicContact CG2-CG2 3.78Å; L284-I341 HydrophobicContact CB-CD1 4.49Å; L284-I341 HydrophobicContact CD2-CD1 3.52Å; L284-I341 HydrophobicContact CG-CD1 3.82Å; A337-I341 WeakPolarHBondContact O-CB 3.29Å; A337-I341 WeakPolarHBondContact O-CD1 3.36Å; A337-I341 VanDerWaalsContact O-CG1 3.28Å; A337-I341 WeakPolarHBondContact O-CG1 3.35Å; A337-I341 PolarHBondContact O-N 3.35Å; I338-I341 PolarHBondContact O-N 3.17Å; I341-S344 PolarHBondContact O-N 3.43Å; I341-S344 PolarHBondContact O-OG 3.07Å; I341-S344 VanDerWaalsContact O-OG 3.05Å; I341-A345 PolarHBondContact O-N 3.43Å |
| 342 | L | 92.6 | Very high | 91 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62 | -42.3 | 176.4 | -79.6 | 165.3 | 0 | 0 | 0 | 112.6 | L263 L265 I338 E340 V348 P360 L361 F363 L364 | L263-L342 HydrophobicContact CD2-CD2 3.7Å; L263-L342 HydrophobicContact CD2-CG 4.16Å; L265-L342 HydrophobicContact CD1-CD2 4.36Å; L265-L342 HydrophobicContact CD2-CD2 4.09Å; I338-L342 HydrophobicContact CG2-CD1 3.56Å; I338-L342 HydrophobicContact CG2-CG 4.23Å; I338-L342 VanDerWaalsContact O-CB 3.3Å; I338-L342 WeakPolarHBondContact O-CB 3.46Å; I338-L342 WeakPolarHBondContact O-CD1 3.42Å; I338-L342 VanDerWaalsContact O-CG 3.22Å; I338-L342 WeakPolarHBondContact O-CG 3.45Å; I338-L342 PolarHBondContact O-N 3.2Å; E340-L342 VanDerWaalsContact C-N 3.32Å; E340-L342 PolarHBondContact O-N 2.85Å; L342-V348 HydrophobicContact CD2-CG1 4.38Å; L342-P360 HydrophobicContact CD1-CB 4.07Å; L342-P360 WeakPolarHBondContact CD1-O 3.43Å; L342-L361 HydrophobicContact CD2-CD2 4.07Å; L342-F363 HydrophobicContact CD1-CB 4.28Å; L342-F363 HydrophobicContact CD1-CD2 4.48Å; L342-L364 HydrophobicContact CB-CD1 3.99Å; L342-L364 HydrophobicContact CB-CD2 3.83Å; L342-L364 HydrophobicContact CB-CG 3.92Å; L342-L364 HydrophobicContact CD1-CD1 4.46Å; L342-L364 HydrophobicContact CD1-CG 4.26Å; L342-L364 HydrophobicContact CD2-CD1 4.07Å; L342-L364 HydrophobicContact CG-CD1 4.43Å |
| 343 | K | 92.2 | Very high | 91.1 | Very high | 121 Ų | 121 | 30.9 Ų | 30.9 | 53% | 0.526 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -70.8 | -31 | 179.3 | -72.9 | 169.5 | -176.4 | 178.9 | 0 | 113.1 | A339 E340 L364 | A339-K343 WeakPolarHBondContact O-CD 3.43Å; A339-K343 VanDerWaalsContact O-CG 3.23Å; A339-K343 WeakPolarHBondContact O-CG 3.39Å; A339-K343 PolarHBondContact O-N 3.44Å; E340-K343 PolarHBondContact O-N 3.46Å; K343-L364 HydrophobicContact CG-CD2 3.74Å |
| 344 | S | 91.3 | Very high | 91.2 | Very high | 69 Ų | 69 | 27.2 Ų | 27.2 | 48% | 0.483 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -79.8 | -22 | -177.7 | 71.2 | 0 | 0 | 0 | 0 | 113.6 | E340 I341 | E340-S344 PolarHBondContact O-N 2.89Å; E340-S344 PolarHBondContact O-OG 3.18Å; I341-S344 PolarHBondContact O-N 3.43Å; I341-S344 PolarHBondContact O-OG 3.07Å; I341-S344 VanDerWaalsContact O-OG 3.05Å |
| 345 | A | 93.9 | Very high | 91.5 | Very high | 7 Ų | 7 | 27.1 Ų | 27.1 | 6% | 0.058 | 16% | 0.16 | C | C | . | . | trans | -68.2 | 143.9 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | K237 L263 I341 V348 | K237-A345 PolarHBondContact NZ-O 3.37Å; L263-A345 HydrophobicContact CB-CB 3.7Å; L263-A345 HydrophobicContact CD2-CB 4.12Å; I341-A345 PolarHBondContact O-N 3.43Å; A345-V348 HydrophobicContact CB-CG2 4.07Å | ||
| 346 | D | 93.5 | Very high | 91.5 | Very high | 36 Ų | 36 | 25.1 Ų | 25.1 | 19% | 0.193 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -94.7 | -32.1 | 174.2 | -61 | -41.8 | 0 | 0 | 0 | 111 | V232 K237 V238 K261 | V232-D346 HydrophobicContact CG1-CB 3.87Å; V232-D346 HydrophobicContact CG2-CB 4.16Å; K237-D346 IonicContact NZ-OD1 3.63Å; K237-D346 PolarHBondContact NZ-OD1 2.97Å; V238-D346 PolarHBondContact N-O 2.92Å; V238-D346 VanDerWaalsContact N-O 3.14Å; K261-D346 HydrophobicContact CB-CB 4.29Å; K261-D346 WeakPolarHBondContact CB-OD2 3.33Å; K261-D346 WeakPolarHBondContact CD-OD2 3.41Å; K261-D346 WeakPolarHBondContact CG-OD2 3.31Å; K261-D346 PolarHBondContact O-N 3.24Å |
| 347 | V | 96.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 122.5 | 175.1 | -168.4 | 0 | 0 | 0 | 0 | 110 | I228 V232 V238 C240 L255 K261 V262 L263 L349 | I228-V347 HydrophobicContact CG2-CG1 4.09Å; I228-V347 HydrophobicContact CG2-CG2 3.61Å; V232-V347 HydrophobicContact CG2-CG2 3.6Å; V238-V347 HydrophobicContact CB-CG1 4.38Å; V238-V347 WeakPolarHBondContact O-CA 3.4Å; C240-V347 HydrophobicContact CB-CG1 4.32Å; C240-V347 WeakPolarHBondContact SG-CG1 3.22Å; L255-V347 HydrophobicContact CD1-CG1 4.13Å; K261-V347 PolarHBondContact O-N 2.93Å; V262-V347 WeakPolarHBondContact CA-O 3.33Å; V262-V347 HydrophobicContact CG1-CB 4.35Å; L263-V347 PolarHBondContact N-O 3.43Å; V347-L349 HydrophobicContact CB-CD1 4.2Å; V347-L349 HydrophobicContact CG1-CD1 3.75Å; V347-L349 HydrophobicContact CG1-CG 4.01Å |
| 348 | V | 96.8 | Very high | 90.7 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.006 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 126 | 173.9 | -176.5 | 0 | 0 | 0 | 0 | 109 | V238 L239 C240 L263 L265 L342 A345 L361 F369 | V238-V348 PolarHBondContact O-N 3.45Å; L239-V348 WeakPolarHBondContact CA-O 3.26Å; L239-V348 HydrophobicContact CD1-CB 4.41Å; L239-V348 HydrophobicContact CD1-CG1 4.42Å; C240-V348 PolarHBondContact N-O 3.45Å; L263-V348 HydrophobicContact CD2-CG2 4.4Å; L263-V348 WeakPolarHBondContact O-CA 3.49Å; L265-V348 HydrophobicContact CD1-CG1 3.56Å; L265-V348 HydrophobicContact CD2-CG1 4.31Å; L265-V348 HydrophobicContact CG-CG1 3.68Å; L342-V348 HydrophobicContact CD2-CG1 4.38Å; A345-V348 HydrophobicContact CB-CG2 4.07Å; V348-L361 HydrophobicContact CG1-CD2 4.04Å; V348-F369 HydrophobicContact CB-CE1 3.89Å; V348-F369 HydrophobicContact CB-CZ 3.95Å; V348-F369 HydrophobicContact CG1-CZ 4.46Å; V348-F369 HydrophobicContact CG2-CE1 3.79Å; V348-F369 HydrophobicContact CG2-CZ 3.91Å |
| 349 | L | 95.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 126.4 | -171.8 | -65.3 | 108.4 | 0 | 0 | 0 | 111.3 | C240 V248 L251 V252 L255 V262 L263 R264 L265 V347 | C240-L349 HydrophobicContact CB-CD2 3.84Å; C240-L349 HydrophobicContact CB-CG 3.96Å; C240-L349 WeakPolarHBondContact O-CA 3.43Å; V248-L349 HydrophobicContact CG1-CB 3.89Å; L251-L349 HydrophobicContact CB-CD2 3.74Å; V252-L349 HydrophobicContact CG2-CB 3.86Å; V252-L349 HydrophobicContact CG2-CD1 4.12Å; V252-L349 HydrophobicContact CG2-CD2 3.83Å; V252-L349 HydrophobicContact CG2-CG 4.13Å; L255-L349 HydrophobicContact CD1-CD1 4.35Å; L255-L349 HydrophobicContact CD1-CD2 3.84Å; V262-L349 HydrophobicContact CB-CD1 3.78Å; V262-L349 HydrophobicContact CG1-CD1 3.93Å; L263-L349 PolarHBondContact O-N 2.98Å; R264-L349 CarbonylContact C-O 3.6Å; R264-L349 WeakPolarHBondContact CA-O 3.39Å; R264-L349 WeakPolarHBondContact CD-O 3.46Å; L265-L349 PolarHBondContact N-O 3.34Å; V347-L349 HydrophobicContact CB-CD1 4.2Å; V347-L349 HydrophobicContact CG1-CD1 3.75Å; V347-L349 HydrophobicContact CG1-CG 4.01Å |
| 350 | S | 93.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 173 | 177.8 | 82.4 | 0 | 0 | 0 | 0 | 112.3 | C240 C241 A242 V248 A355 | C240-S350 PolarHBondContact O-N 3.18Å; C241-S350 VanDerWaalsContact CA-O 3.27Å; C241-S350 WeakPolarHBondContact CA-O 3.42Å; A242-S350 PolarHBondContact N-O 2.91Å; V248-S350 WeakPolarHBondContact CG2-O 3.38Å; S350-A355 PolarHBondContact OG-N 3.19Å |
| 351 | T | 92.1 | Very high | 90.1 | Very high | 13 Ų | 13 | 24.2 Ų | 24.2 | 8% | 0.08 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 157 | 165 | 56.4 | 0 | 0 | 0 | 0 | 109.9 | A242 N245 V248 T353 G354 A355 | A242-T351 CarbonylContact O-C 3.59Å; A242-T351 WeakPolarHBondContact O-CA 3.41Å; N245-T351 WeakPolarHBondContact OD1-CG2 3.26Å; V248-T351 HydrophobicContact CG2-CG2 4.06Å; T351-T353 PolarHBondContact O-N 3.31Å; T351-T353 VanDerWaalsContact O-N 3.08Å; T351-T353 PolarHBondContact OG1-OG1 2.95Å; T351-G354 VanDerWaalsContact O-CA 3.3Å; T351-G354 WeakPolarHBondContact O-CA 3.29Å; T351-G354 PolarHBondContact O-N 3.49Å; T351-G354 PolarHBondContact OG1-N 3.33Å; T351-A355 PolarHBondContact O-N 3.34Å |
| 352 | N | 93.1 | Very high | 90 | Very high | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.011 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46.8 | -45 | 175.8 | -67.4 | 9.2 | 0 | 0 | 0 | 112.1 | C241 A242 G354 A380 S384 I387 | C241-N352 WeakPolarHBondContact CB-OD1 3.35Å; A242-N352 WeakPolarHBondContact CA-OD1 3.17Å; A242-N352 PolarHBondContact N-OD1 3.33Å; A242-N352 PolarHBondContact O-N 3.01Å; A242-N352 PolarHBondContact O-OD1 2.82Å; N352-G354 VanDerWaalsContact C-N 3.33Å; N352-G354 PolarHBondContact O-N 3.05Å; N352-A380 WeakPolarHBondContact ND2-CB 3.34Å; N352-S384 PolarHBondContact ND2-OG 2.83Å; N352-S384 VanDerWaalsContact ND2-OG 3.12Å; N352-I387 WeakPolarHBondContact O-CB 3.45Å; N352-I387 VanDerWaalsContact O-CG2 3.29Å; N352-I387 WeakPolarHBondContact O-CG2 3.26Å |
| 353 | T | 88.8 | Confident | 89.9 | Confident | 32 Ų | 32 | 30.8 Ų | 30.8 | 20% | 0.196 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -20.4 | 176.8 | 54.2 | 0 | 0 | 0 | 0 | 114.4 | T144 R147 T351 I387 | T144-T353 HydrophobicContact CG2-CG2 3.86Å; R147-T353 VanDerWaalsContact CD-O 3.28Å; R147-T353 WeakPolarHBondContact CD-O 3.33Å; R147-T353 PolarHBondContact NH1-O 3.24Å; T351-T353 PolarHBondContact O-N 3.31Å; T351-T353 VanDerWaalsContact O-N 3.08Å; T351-T353 PolarHBondContact OG1-OG1 2.95Å; T353-I387 HydrophobicContact CG2-CD1 4.33Å |
| 354 | G | 86.9 | Confident | 89.8 | Confident | 17 Ų | 17 | 25.5 Ų | 25.5 | 18% | 0.175 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -27 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | T351 N352 C356 | T351-G354 VanDerWaalsContact O-CA 3.3Å; T351-G354 WeakPolarHBondContact O-CA 3.29Å; T351-G354 PolarHBondContact O-N 3.49Å; T351-G354 PolarHBondContact OG1-N 3.33Å; N352-G354 VanDerWaalsContact C-N 3.33Å; N352-G354 PolarHBondContact O-N 3.05Å; G354-C356 PolarHBondContact O-N 3.21Å |
| 355 | A | 90 | Very high | 89.7 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -72.2 | 18.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | L239 S350 T351 L361 I387 A388 | L239-A355 HydrophobicContact CD2-CB 4.39Å; S350-A355 PolarHBondContact OG-N 3.19Å; T351-A355 PolarHBondContact O-N 3.34Å; A355-L361 HydrophobicContact CB-CD1 3.91Å; A355-I387 HydrophobicContact CB-CG2 4.34Å; A355-A388 HydrophobicContact CB-CB 4.23Å |
| 356 | C | 85.6 | Confident | 89.2 | Confident | 6 Ų | 6 | 28.5 Ų | 28.5 | 4% | 0.041 | 17% | 0.169 | C | C | . | . | trans | -80.6 | 154.4 | -171.1 | 68.4 | 0 | 0 | 0 | 0 | 114.3 | R147 G354 D358 G359 I387 | R147-C356 HydrophobicContact CG-CB 4.07Å; R147-C356 PolarHBondContact NE-SG 3.49Å; R147-C356 VanDerWaalsContact NE-SG 3.4Å; G354-C356 PolarHBondContact O-N 3.21Å; C356-D358 PolarHBondContact O-N 3.38Å; C356-D358 VanDerWaalsContact O-N 3.12Å; C356-G359 WeakPolarHBondContact O-CA 3.42Å; C356-G359 PolarHBondContact O-N 3.35Å; C356-I387 HydrophobicContact CB-CG2 4Å | ||
| 357 | D | 80.1 | Confident | 88.9 | Confident | 81 Ų | 81 | 33.9 Ų | 33.9 | 43% | 0.433 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -10.2 | -177 | -56.3 | -25.5 | 0 | 0 | 0 | 115.6 | K362 R391 | D357-K362 WeakPolarHBondContact O-CB 3.35Å; D357-R391 IonicContact OD1-CZ 3.72Å; D357-R391 VanDerWaalsContact OD1-CZ 3.25Å; D357-R391 IonicContact OD1-NE 3.33Å; D357-R391 PolarHBondContact OD1-NE 3Å; D357-R391 IonicContact OD1-NH2 2.86Å; D357-R391 PolarHBondContact OD1-NH2 3.44Å |
| 358 | D | 79 | Confident | 88.7 | Confident | 73 Ų | 73 | 35.3 Ų | 35.3 | 39% | 0.39 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -17 | 168.7 | -42.6 | -75.1 | 0 | 0 | 0 | 113 | R150 C356 K362 | R150-D358 IonicContact CZ-OD1 2.83Å; R150-D358 IonicContact CZ-OD2 3.45Å; R150-D358 IonicContact NH1-OD1 2.8Å; R150-D358 PolarHBondContact NH1-OD1 2.85Å; R150-D358 IonicContact NH1-OD2 3.57Å; R150-D358 PolarHBondContact NH1-OD2 2.72Å; R150-D358 IonicContact NH2-OD1 2.74Å; R150-D358 IonicContact NH2-OD2 2.79Å; R150-D358 PolarHBondContact NH2-OD2 2.84Å; C356-D358 PolarHBondContact O-N 3.38Å; C356-D358 VanDerWaalsContact O-N 3.12Å; D358-K362 PolarHBondContact O-NZ 2.87Å |
| 359 | G | 82.4 | Confident | 88.7 | Confident | 15 Ų | 15 | 35.5 Ų | 35.5 | 16% | 0.155 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -82.1 | -163.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | C356 L361 K362 | C356-G359 WeakPolarHBondContact O-CA 3.42Å; C356-G359 PolarHBondContact O-N 3.35Å; G359-L361 PolarHBondContact O-N 3.11Å; G359-K362 WeakPolarHBondContact O-CD 3.28Å; G359-K362 VanDerWaalsContact O-CG 3.24Å; G359-K362 WeakPolarHBondContact O-CG 3.4Å; G359-K362 PolarHBondContact O-N 2.99Å |
| 360 | P | 85.1 | Confident | 88.7 | Confident | 19 Ų | 19 | 37 Ų | 37 | 12% | 0.123 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -58.8 | -32.8 | 178.8 | -24 | 34.4 | 0 | 0 | 0 | 113.4 | L265 L280 I338 L342 K362 F363 | L265-P360 HydrophobicContact CD1-CB 4.21Å; L265-P360 HydrophobicContact CD1-CG 4.39Å; L265-P360 HydrophobicContact CD2-CB 4.16Å; L265-P360 HydrophobicContact CD2-CG 4.27Å; L280-P360 HydrophobicContact CD2-CB 4.06Å; L280-P360 HydrophobicContact CD2-CG 3.84Å; I338-P360 HydrophobicContact CG2-CB 4.19Å; L342-P360 HydrophobicContact CD1-CB 4.07Å; L342-P360 WeakPolarHBondContact CD1-O 3.43Å; P360-K362 PolarHBondContact O-N 3.49Å; P360-F363 WeakPolarHBondContact O-CD2 3.5Å; P360-F363 PolarHBondContact O-N 3.31Å; P360-F363 VanDerWaalsContact O-N 3.1Å |
| 361 | L | 90.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -64.4 | -7 | -177.9 | -60.4 | -171 | 0 | 0 | 0 | 115 | L239 L265 L342 V348 A355 G359 F363 L364 F369 R391 | L239-L361 HydrophobicContact CD1-CD1 4.06Å; L239-L361 HydrophobicContact CD2-CD1 3.98Å; L265-L361 HydrophobicContact CD1-CD2 3.52Å; L265-L361 HydrophobicContact CD1-CG 3.85Å; L342-L361 HydrophobicContact CD2-CD2 4.07Å; V348-L361 HydrophobicContact CG1-CD2 4.04Å; A355-L361 HydrophobicContact CB-CD1 3.91Å; G359-L361 PolarHBondContact O-N 3.11Å; L361-F363 VanDerWaalsContact C-N 3.26Å; L361-L364 HydrophobicContact CD2-CD1 4.02Å; L361-F369 HydrophobicContact CD1-CE2 4.42Å; L361-F369 HydrophobicContact CD2-CE2 3.97Å; L361-F369 HydrophobicContact CD2-CZ 3.91Å; L361-R391 PolarHBondContact O-NH1 2.81Å; L361-R391 PolarHBondContact O-NH2 3.26Å |
| 362 | K | 89.7 | Confident | 89.1 | Confident | 106 Ų | 106 | 36.9 Ų | 36.9 | 46% | 0.461 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -73.3 | -17.2 | 172.4 | 81.9 | -167.4 | 166.1 | -164.7 | 0 | 114 | D357 D358 G359 P360 L364 | D357-K362 WeakPolarHBondContact O-CB 3.35Å; D358-K362 PolarHBondContact O-NZ 2.87Å; G359-K362 WeakPolarHBondContact O-CD 3.28Å; G359-K362 VanDerWaalsContact O-CG 3.24Å; G359-K362 WeakPolarHBondContact O-CG 3.4Å; G359-K362 PolarHBondContact O-N 2.99Å; P360-K362 PolarHBondContact O-N 3.49Å; K362-L364 VanDerWaalsContact C-N 3.27Å |
| 363 | F | 89.3 | Confident | 89.4 | Confident | 48 Ų | 48 | 36.9 Ų | 36.9 | 21% | 0.211 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -87.3 | -0 | 178.2 | -52.7 | -55.1 | 0 | 0 | 0 | 112.8 | T335 I338 A339 L342 P360 L361 | T335-F363 HydrophobicContact CG2-CD1 3.61Å; T335-F363 HydrophobicContact CG2-CE1 3.33Å; T335-F363 HydrophobicContact CG2-CG 4.33Å; T335-F363 HydrophobicContact CG2-CZ 3.85Å; I338-F363 HydrophobicContact CB-CD2 4.34Å; I338-F363 HydrophobicContact CD1-CE2 4.5Å; I338-F363 HydrophobicContact CG2-CD2 3.6Å; I338-F363 HydrophobicContact CG2-CE2 4Å; A339-F363 HydrophobicContact CB-CB 3.97Å; L342-F363 HydrophobicContact CD1-CB 4.28Å; L342-F363 HydrophobicContact CD1-CD2 4.48Å; P360-F363 WeakPolarHBondContact O-CD2 3.5Å; P360-F363 PolarHBondContact O-N 3.31Å; P360-F363 VanDerWaalsContact O-N 3.1Å; L361-F363 VanDerWaalsContact C-N 3.26Å |
| 364 | L | 90.4 | Very high | 89.8 | Confident | 10 Ų | 10 | 35.3 Ų | 35.3 | 5% | 0.052 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -104.4 | 147.8 | 173 | -70.7 | 172.2 | 0 | 0 | 0 | 110.4 | L342 K343 L361 K362 H368 F369 | L342-L364 HydrophobicContact CB-CD1 3.99Å; L342-L364 HydrophobicContact CB-CD2 3.83Å; L342-L364 HydrophobicContact CB-CG 3.92Å; L342-L364 HydrophobicContact CD1-CD1 4.46Å; L342-L364 HydrophobicContact CD1-CG 4.26Å; L342-L364 HydrophobicContact CD2-CD1 4.07Å; L342-L364 HydrophobicContact CG-CD1 4.43Å; K343-L364 HydrophobicContact CG-CD2 3.74Å; L361-L364 HydrophobicContact CD2-CD1 4.02Å; K362-L364 VanDerWaalsContact C-N 3.27Å; L364-H368 HydrophobicContact CB-CB 4.09Å; L364-F369 HydrophobicContact CD1-CE2 3.82Å; L364-F369 HydrophobicContact CD1-CZ 3.68Å |
| 365 | P | 89 | Confident | 90.3 | Very high | 76 Ų | 76 | 34.6 Ų | 34.6 | 49% | 0.494 | 19% | 0.189 | S | C | . | . | trans | -64.1 | 157.1 | 171.9 | 27.8 | -32.4 | 0 | 0 | 0 | 111.2 | E367 H368 | P365-E367 PolarHBondContact O-N 3.16Å; P365-H368 HydrophobicContact CG-CB 4.01Å; P365-H368 VanDerWaalsContact O-CB 3.29Å; P365-H368 WeakPolarHBondContact O-CB 3.3Å; P365-H368 PolarHBondContact O-N 3.44Å; P365-H368 VanDerWaalsContact O-N 3.14Å | ||
| 366 | A | 84.2 | Confident | 90.5 | Very high | 64 Ų | 64 | 36.1 Ų | 36.1 | 53% | 0.529 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -32 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 367 | E | 87.1 | Confident | 91.1 | Very high | 148 Ų | 148 | 35.8 Ų | 35.8 | 69% | 0.692 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | 18.1 | -178.8 | -62 | 174.7 | 174.5 | 0 | 0 | 112.9 | P162 P365 F369 | P162-E367 HydrophobicContact CB-CG 4.36Å; P162-E367 HydrophobicContact CG-CG 4.09Å; P365-E367 PolarHBondContact O-N 3.16Å; E367-F369 PolarHBondContact O-N 3.07Å |
| 368 | H | 93.2 | Very high | 91.8 | Very high | 31 Ų | 31 | 32.1 Ų | 32.1 | 14% | 0.144 | 18% | 0.175 | C | C | . | . | trans | -68.4 | -32.6 | -177 | -175 | 66.2 | 0 | 0 | 0 | 114.3 | K237 L364 P365 | K237-H368 VanDerWaalsContact CB-O 3.29Å; K237-H368 WeakPolarHBondContact CB-O 3.5Å; L364-H368 HydrophobicContact CB-CB 4.09Å; P365-H368 HydrophobicContact CG-CB 4.01Å; P365-H368 VanDerWaalsContact O-CB 3.29Å; P365-H368 WeakPolarHBondContact O-CB 3.3Å; P365-H368 PolarHBondContact O-N 3.44Å; P365-H368 VanDerWaalsContact O-N 3.14Å | ||
| 369 | F | 96.1 | Very high | 92.5 | Very high | 4 Ų | 4 | 30.9 Ų | 30.9 | 2% | 0.018 | 17% | 0.167 | C | C | . | . | trans | -102.9 | 127.7 | -177.7 | -62.4 | -72.8 | 0 | 0 | 0 | 110.2 | K237 L239 V348 L361 L364 E367 R391 A392 | K237-F369 HydrophobicContact CB-CD1 4.39Å; L239-F369 HydrophobicContact CB-CB 4.32Å; L239-F369 HydrophobicContact CB-CD1 3.71Å; L239-F369 HydrophobicContact CB-CD2 4.1Å; L239-F369 HydrophobicContact CB-CE1 3.94Å; L239-F369 HydrophobicContact CB-CE2 4.31Å; L239-F369 HydrophobicContact CB-CG 3.78Å; L239-F369 HydrophobicContact CB-CZ 4.24Å; L239-F369 HydrophobicContact CD1-CZ 4.37Å; L239-F369 HydrophobicContact CD2-CD2 4.16Å; L239-F369 HydrophobicContact CD2-CE2 4.2Å; V348-F369 HydrophobicContact CB-CE1 3.89Å; V348-F369 HydrophobicContact CB-CZ 3.95Å; V348-F369 HydrophobicContact CG1-CZ 4.46Å; V348-F369 HydrophobicContact CG2-CE1 3.79Å; V348-F369 HydrophobicContact CG2-CZ 3.91Å; L361-F369 HydrophobicContact CD1-CE2 4.42Å; L361-F369 HydrophobicContact CD2-CE2 3.97Å; L361-F369 HydrophobicContact CD2-CZ 3.91Å; L364-F369 HydrophobicContact CD1-CE2 3.82Å; L364-F369 HydrophobicContact CD1-CZ 3.68Å; E367-F369 PolarHBondContact O-N 3.07Å; F369-R391 HydrophobicContact CD2-CB 4.33Å; F369-A392 HydrophobicContact CB-CB 4.44Å; F369-A392 WeakPolarHBondContact O-CA 3.37Å | ||
| 370 | D | 95.6 | Very high | 93 | Very high | 31 Ų | 31 | 30.2 Ų | 30.2 | 17% | 0.166 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -76.8 | -45 | 173 | -58.7 | -77.9 | 0 | 0 | 0 | 110.4 | Q236 K237 R393 K394 | Q236-D370 WeakPolarHBondContact CA-OD2 3.15Å; Q236-D370 HydrophobicContact CB-CB 4.09Å; Q236-D370 VanDerWaalsContact OE1-CB 3.25Å; Q236-D370 VanDerWaalsContact OE1-CG 3.29Å; Q236-D370 PolarHBondContact OE1-OD1 3.31Å; K237-D370 PolarHBondContact N-OD2 3.31Å; K237-D370 PolarHBondContact O-N 3.03Å; D370-R393 WeakPolarHBondContact O-CG 3.42Å; D370-R393 PolarHBondContact O-N 3.1Å; D370-R393 IonicContact OD1-CZ 2.86Å; D370-R393 VanDerWaalsContact OD1-CZ 3.31Å; D370-R393 IonicContact OD1-NE 2.78Å; D370-R393 IonicContact OD1-NH2 2.71Å; D370-R393 PolarHBondContact OD1-NH2 3.47Å; D370-K394 PolarHBondContact O-N 3.15Å |
| 371 | W | 97 | Very high | 93.5 | Very high | 12 Ų | 12 | 30.8 Ų | 30.8 | 5% | 0.045 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 137.2 | -168.5 | -63.9 | 20.7 | 0 | 0 | 0 | 110.8 | L204 I227 A231 Q236 K237 V238 L239 K394 I396 | L204-W371 HydrophobicContact CD2-CH2 3.52Å; L204-W371 HydrophobicContact CD2-CZ3 3.85Å; I227-W371 HydrophobicContact CG2-CZ3 4.17Å; A231-W371 HydrophobicContact CB-CD2 4.02Å; A231-W371 HydrophobicContact CB-CE3 3.57Å; A231-W371 HydrophobicContact CB-CH2 3.95Å; A231-W371 HydrophobicContact CB-CZ2 4.34Å; A231-W371 HydrophobicContact CB-CZ3 3.54Å; Q236-W371 HydrophobicContact CG-CZ2 4.46Å; K237-W371 PolarHBondContact O-N 3.12Å; V238-W371 HydrophobicContact CG1-CB 4.45Å; L239-W371 PolarHBondContact N-O 3.06Å; W371-K394 WeakPolarHBondContact CA-O 3.47Å; W371-K394 HydrophobicContact CD2-CD 3.99Å; W371-K394 HydrophobicContact CG-CB 4.34Å; W371-K394 HydrophobicContact CG-CD 4.27Å; W371-K394 HydrophobicContact CG-CG 4.5Å; W371-K394 HydrophobicContact CZ2-CD 4.11Å; W371-I396 HydrophobicContact CE3-CD1 3.52Å; W371-I396 HydrophobicContact CZ3-CD1 3.61Å |
| 372 | V | 97.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 126.1 | 167.3 | 161.2 | 0 | 0 | 0 | 0 | 109.6 | L239 I374 A388 L389 A392 K394 C395 I396 | L239-V372 HydrophobicContact CB-CG2 4Å; L239-V372 HydrophobicContact CD2-CG2 4.08Å; L239-V372 HydrophobicContact CG-CG2 4.28Å; L239-V372 WeakPolarHBondContact O-CA 3.45Å; V372-I374 HydrophobicContact CG1-CD1 4.18Å; V372-I374 HydrophobicContact CG1-CG1 3.82Å; V372-A388 HydrophobicContact CG1-CB 3.97Å; V372-A388 WeakPolarHBondContact CG2-O 3.5Å; V372-L389 HydrophobicContact CG1-CD2 4.13Å; V372-A392 HydrophobicContact CB-CB 4.05Å; V372-A392 HydrophobicContact CG2-CB 3.47Å; V372-A392 VanDerWaalsContact CG2-CB 3.47Å; V372-K394 PolarHBondContact N-O 3.19Å; V372-C395 CarbonylContact O-C 3.53Å; V372-C395 WeakPolarHBondContact O-CA 3.13Å; V372-I396 PolarHBondContact O-N 3.31Å |
| 373 | V | 98.5 | Very high | 94.1 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.006 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 126 | 175.3 | -177.1 | 0 | 0 | 0 | 0 | 108.3 | V224 I228 V238 L239 C240 C241 I396 | V224-V373 HydrophobicContact CG1-CG1 3.73Å; I228-V373 HydrophobicContact CD1-CG1 4.38Å; I228-V373 HydrophobicContact CG1-CG2 4.05Å; V238-V373 HydrophobicContact CG1-CG2 3.76Å; L239-V373 PolarHBondContact O-N 3.45Å; C240-V373 CarbonylContact C-O 3.6Å; C240-V373 WeakPolarHBondContact CA-O 3.27Å; C241-V373 PolarHBondContact N-O 2.98Å; V373-I396 CarbonylContact C-O 3.57Å; V373-I396 WeakPolarHBondContact CA-O 3.48Å; V373-I396 HydrophobicContact CG2-CB 4.3Å |
| 374 | I | 98.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 104.7 | 176.5 | -52.3 | -176.1 | 0 | 0 | 0 | 108.9 | C241 V372 C377 C385 L389 I396 L397 A398 | C241-I374 HydrophobicContact CB-CG1 4.45Å; C241-I374 CarbonylContact O-C 3.48Å; C241-I374 WeakPolarHBondContact O-CA 3.41Å; V372-I374 HydrophobicContact CG1-CD1 4.18Å; V372-I374 HydrophobicContact CG1-CG1 3.82Å; I374-C377 HydrophobicContact CB-CB 4.26Å; I374-C377 HydrophobicContact CG2-CB 3.85Å; I374-C385 HydrophobicContact CD1-CB 3.77Å; I374-L389 HydrophobicContact CD1-CD1 4.48Å; I374-L389 HydrophobicContact CD1-CD2 4.06Å; I374-L389 HydrophobicContact CD1-CG 4.04Å; I374-I396 PolarHBondContact N-O 3.03Å; I374-L397 HydrophobicContact CB-CD2 4.04Å; I374-L397 HydrophobicContact CD1-CD2 4.1Å; I374-L397 HydrophobicContact CG1-CD2 4.19Å; I374-A398 PolarHBondContact O-N 3.31Å |
| 375 | D | 97.1 | Very high | 94.7 | Very high | 2 Ų | 2 | 24.2 Ų | 24.2 | 1% | 0.011 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 153.2 | 172 | -163.1 | 11.6 | 0 | 0 | 0 | 110.9 | K220 T221 C241 A242 P243 L251 C377 A398 | K220-D375 WeakPolarHBondContact CE-OD1 3.49Å; T221-D375 PolarHBondContact OG1-OD2 3.47Å; C241-D375 PolarHBondContact O-N 3.14Å; A242-D375 WeakPolarHBondContact CA-O 3.45Å; A242-D375 WeakPolarHBondContact CB-O 3.29Å; P243-D375 VanDerWaalsContact CD-O 3.23Å; P243-D375 WeakPolarHBondContact CD-O 3.38Å; L251-D375 HydrophobicContact CD1-CB 3.91Å; D375-C377 PolarHBondContact O-N 2.65Å; D375-A398 CarbonylContact C-O 3.57Å |
| 376 | E | 95.2 | Very high | 95 | Very high | 31 Ų | 31 | 20.6 Ų | 20.6 | 15% | 0.145 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.1 | 37.3 | -165.9 | -53.6 | -63 | -176.2 | 0 | 0 | 113.9 | K220 P243 A247 A378 Q379 A398 | K220-E376 IonicContact NZ-OE1 2.69Å; K220-E376 PolarHBondContact NZ-OE1 3.17Å; K220-E376 IonicContact NZ-OE2 2.74Å; K220-E376 PolarHBondContact NZ-OE2 2.87Å; P243-E376 HydrophobicContact CG-CB 4.15Å; P243-E376 WeakPolarHBondContact CG-O 3.47Å; A247-E376 HydrophobicContact CB-CG 4.07Å; E376-A378 PolarHBondContact O-N 2.95Å; E376-Q379 HydrophobicContact CB-CB 4.42Å; E376-Q379 WeakPolarHBondContact O-CB 3.44Å; E376-Q379 PolarHBondContact O-N 3.2Å; E376-A398 PolarHBondContact N-O 3.03Å |
| 377 | C | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.088 | C | C | . | . | G | 310 helix | trans | -58.2 | -32.1 | -178.3 | -170.9 | 0 | 0 | 0 | 0 | 113 | I374 D375 Q379 A380 L397 A398 M423 | I374-C377 HydrophobicContact CB-CB 4.26Å; I374-C377 HydrophobicContact CG2-CB 3.85Å; D375-C377 PolarHBondContact O-N 2.65Å; C377-Q379 PolarHBondContact O-N 2.94Å; C377-A380 WeakPolarHBondContact O-CB 3.39Å; C377-A380 PolarHBondContact O-N 3.13Å; C377-L397 HydrophobicContact CB-CB 4.21Å; C377-A398 PolarHBondContact N-O 2.96Å; C377-M423 HydrophobicContact CB-CB 4.15Å; C377-M423 HydrophobicContact CB-SD 4.36Å |
| 378 | A | 95 | Very high | 95.9 | Very high | 3 Ų | 3 | 11 Ų | 11 | 3% | 0.025 | 6% | 0.055 | C | C | . | . | G | 310 helix | trans | -61.5 | -25.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | E376 D400 S421 M423 | E376-A378 PolarHBondContact O-N 2.95Å; A378-D400 WeakPolarHBondContact CB-O 3.47Å; A378-S421 WeakPolarHBondContact O-CB 3.4Å; A378-M423 HydrophobicContact CB-SD 3.99Å |
| 379 | Q | 93.1 | Very high | 96 | Very high | 48 Ų | 48 | 9.5 Ų | 9.5 | 22% | 0.224 | 5% | 0.048 | C | C | . | . | G | 310 helix | trans | -89.5 | -3.7 | 176.6 | -156.8 | -165.5 | 0.9 | 0 | 0 | 112.2 | P243 E376 C377 | P243-Q379 HydrophobicContact CG-CB 4.18Å; E376-Q379 HydrophobicContact CB-CB 4.42Å; E376-Q379 WeakPolarHBondContact O-CB 3.44Å; E376-Q379 PolarHBondContact O-N 3.2Å; C377-Q379 PolarHBondContact O-N 2.94Å |
| 380 | A | 94.4 | Very high | 95.9 | Very high | 1 Ų | 1 | 10.1 Ų | 10.1 | 1% | 0.008 | 5% | 0.051 | C | C | . | . | S | Bend | trans | -97.5 | 134.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | P243 N352 C377 E382 P406 | P243-A380 HydrophobicContact CB-CB 3.98Å; P243-A380 HydrophobicContact CG-CB 4.08Å; N352-A380 WeakPolarHBondContact ND2-CB 3.34Å; C377-A380 WeakPolarHBondContact O-CB 3.39Å; C377-A380 PolarHBondContact O-N 3.13Å; A380-E382 PolarHBondContact O-N 2.68Å; A380-P406 VanDerWaalsContact C-CG 3.44Å; A380-P406 WeakPolarHBondContact O-CG 3.25Å |
| 381 | L | 94.9 | Very high | 95.7 | Very high | 31 Ų | 31 | 9.8 Ų | 9.8 | 16% | 0.162 | 5% | 0.048 | C | C | . | . | B | Isolated β-bridge | trans | -57.5 | 133.1 | 164.7 | -67.6 | 174.2 | 0 | 0 | 0 | 108.9 | M148 S383 S384 C385 P406 I408 L418 | M148-L381 HydrophobicContact SD-CD1 4.3Å; L381-S383 PolarHBondContact O-N 2.91Å; L381-S384 WeakPolarHBondContact O-CA 3.35Å; L381-S384 WeakPolarHBondContact O-CB 3.25Å; L381-S384 PolarHBondContact O-N 3.32Å; L381-S384 PolarHBondContact O-OG 3Å; L381-C385 PolarHBondContact O-N 2.94Å; L381-P406 HydrophobicContact CD2-CB 3.59Å; L381-P406 HydrophobicContact CD2-CG 4.17Å; L381-P406 HydrophobicContact CG-CB 3.91Å; L381-I408 HydrophobicContact CD2-CD1 3.99Å; L381-I408 HydrophobicContact CD2-CG1 4.06Å; L381-L418 HydrophobicContact CD2-CD1 4.12Å; L381-L418 HydrophobicContact CD2-CG 3.98Å; L381-L418 WeakPolarHBondContact CD2-O 3.44Å |
| 382 | E | 96.7 | Very high | 95.6 | Very high | 15 Ų | 15 | 9.2 Ų | 9.2 | 7% | 0.07 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -55.1 | -39.6 | -178.9 | 175 | 168.4 | 171.5 | 0 | 0 | 111.9 | F7 A380 S384 C385 W386 L422 R425 | F7-E382 HydrophobicContact CE2-CG 4.29Å; F7-E382 WeakPolarHBondContact CE2-OE1 3.47Å; F7-E382 HydrophobicContact CZ-CG 3.86Å; F7-E382 VanDerWaalsContact CZ-OE1 3.29Å; F7-E382 WeakPolarHBondContact CZ-OE1 3.3Å; A380-E382 PolarHBondContact O-N 2.68Å; E382-S384 PolarHBondContact O-N 3.37Å; E382-C385 WeakPolarHBondContact O-CB 3.32Å; E382-C385 PolarHBondContact O-N 3.34Å; E382-W386 PolarHBondContact O-N 3.34Å; E382-W386 PolarHBondContact OE1-NE1 2.99Å; E382-W386 VanDerWaalsContact OE1-NE1 3.12Å; E382-L422 HydrophobicContact CB-CB 4.11Å; E382-L422 HydrophobicContact CG-CB 3.93Å; E382-L422 HydrophobicContact CG-CD1 4.02Å; E382-L422 HydrophobicContact CG-CG 4.49Å; E382-R425 IonicContact OE1-CZ 3.65Å; E382-R425 IonicContact OE1-NE 3.77Å; E382-R425 PolarHBondContact OE1-NE 3.04Å; E382-R425 IonicContact OE1-NH2 3.83Å; E382-R425 PolarHBondContact OE1-NH2 2.75Å; E382-R425 IonicContact OE2-CZ 2.87Å; E382-R425 IonicContact OE2-NE 3.84Å; E382-R425 PolarHBondContact OE2-NE 3.27Å; E382-R425 IonicContact OE2-NH2 3.68Å |
| 383 | S | 95.5 | Very high | 95.5 | Very high | 1 Ų | 1 | 15.4 Ų | 15.4 | 1% | 0.007 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -60.1 | -23 | 175.1 | 57.4 | 0 | 0 | 0 | 0 | 114.7 | M148 L381 | M148-S383 PolarHBondContact SD-OG 3.37Å; L381-S383 PolarHBondContact O-N 2.91Å |
| 384 | S | 95.5 | Very high | 95.3 | Very high | 10 Ų | 10 | 15.6 Ų | 15.6 | 7% | 0.07 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -80.8 | -36.3 | 173 | 80.1 | 0 | 0 | 0 | 0 | 112.1 | N352 L381 E382 W386 I387 | N352-S384 PolarHBondContact ND2-OG 2.83Å; N352-S384 VanDerWaalsContact ND2-OG 3.12Å; L381-S384 WeakPolarHBondContact O-CA 3.35Å; L381-S384 WeakPolarHBondContact O-CB 3.25Å; L381-S384 PolarHBondContact O-N 3.32Å; L381-S384 PolarHBondContact O-OG 3Å; E382-S384 PolarHBondContact O-N 3.37Å; S384-W386 VanDerWaalsContact C-N 3.29Å; S384-W386 PolarHBondContact O-N 2.62Å; S384-I387 WeakPolarHBondContact O-CB 3.39Å; S384-I387 WeakPolarHBondContact O-CG1 3.4Å; S384-I387 PolarHBondContact O-N 2.74Å |
| 385 | C | 97.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -63.1 | -38.3 | 178.8 | -62.2 | 0 | 0 | 0 | 0 | 111.2 | I374 L381 E382 I387 A388 L389 L422 | I374-C385 HydrophobicContact CD1-CB 3.77Å; L381-C385 PolarHBondContact O-N 2.94Å; E382-C385 WeakPolarHBondContact O-CB 3.32Å; E382-C385 PolarHBondContact O-N 3.34Å; C385-I387 PolarHBondContact O-N 3.26Å; C385-A388 PolarHBondContact O-N 3.12Å; C385-L389 HydrophobicContact CB-CD1 3.89Å; C385-L389 WeakPolarHBondContact O-CG 3.44Å; C385-L389 PolarHBondContact O-N 3.45Å; C385-L422 HydrophobicContact CB-CD2 3.87Å |
| 386 | W | 96.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -59 | -16.8 | 176.3 | -73.9 | 115.4 | 0 | 0 | 0 | 114.9 | F7 L155 I167 L170 F171 E382 S384 L389 L390 | F7-W386 AromaticContact CE1-NE1 3.75Å; F7-W386 AromaticContact CZ-NE1 3.77Å; L155-W386 HydrophobicContact CD1-CD2 4.27Å; L155-W386 HydrophobicContact CD1-CE3 3.81Å; L155-W386 HydrophobicContact CD1-CH2 4.13Å; L155-W386 HydrophobicContact CD1-CZ3 3.74Å; L155-W386 HydrophobicContact CD2-CD2 3.67Å; L155-W386 HydrophobicContact CD2-CE3 4.08Å; L155-W386 HydrophobicContact CD2-CG 3.91Å; L155-W386 HydrophobicContact CD2-CZ2 4.29Å; I167-W386 HydrophobicContact CG1-CH2 4.22Å; I167-W386 HydrophobicContact CG1-CZ3 3.9Å; L170-W386 HydrophobicContact CB-CH2 3.88Å; L170-W386 HydrophobicContact CB-CZ2 4.24Å; L170-W386 HydrophobicContact CD1-CH2 3.39Å; L170-W386 HydrophobicContact CD1-CZ2 4.08Å; L170-W386 HydrophobicContact CD1-CZ3 3.88Å; L170-W386 HydrophobicContact CG-CH2 4.29Å; F171-W386 HydrophobicContact CD2-CH2 4.32Å; F171-W386 HydrophobicContact CD2-CZ2 4.29Å; F171-W386 AromaticContact CE2-CH2 3.58Å; F171-W386 HydrophobicContact CE2-CH2 3.58Å; F171-W386 AromaticContact CE2-CZ2 3.3Å; F171-W386 HydrophobicContact CE2-CZ2 3.3Å; F171-W386 HydrophobicContact CZ-CH2 4.37Å; F171-W386 AromaticContact CZ-CZ2 3.65Å; F171-W386 HydrophobicContact CZ-CZ2 3.65Å; E382-W386 PolarHBondContact O-N 3.34Å; E382-W386 PolarHBondContact OE1-NE1 2.99Å; E382-W386 VanDerWaalsContact OE1-NE1 3.12Å; S384-W386 VanDerWaalsContact C-N 3.29Å; S384-W386 PolarHBondContact O-N 2.62Å; W386-L389 HydrophobicContact CD2-CD1 4.17Å; W386-L389 HydrophobicContact CE3-CB 3.94Å; W386-L389 HydrophobicContact CE3-CD1 4.05Å; W386-L389 HydrophobicContact CZ3-CB 4.21Å; W386-L389 HydrophobicContact CZ3-CD1 4.32Å; W386-L390 HydrophobicContact CE3-CD2 4.17Å; W386-L390 HydrophobicContact CE3-CG 4.39Å; W386-L390 HydrophobicContact CZ3-CD2 4.4Å; W386-L390 WeakPolarHBondContact O-CD1 3.48Å; W386-L390 WeakPolarHBondContact O-CG 3.38Å |
| 387 | I | 94.6 | Very high | 95.5 | Very high | 9 Ų | 9 | 14.1 Ų | 14.1 | 5% | 0.046 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -66.1 | -40.1 | 172.2 | -57.1 | 170.4 | 0 | 0 | 0 | 110.8 | R147 M148 A151 N352 T353 A355 C356 S384 C385 | R147-I387 HydrophobicContact CB-CD1 4.12Å; M148-I387 HydrophobicContact CG-CD1 4.14Å; A151-I387 HydrophobicContact CB-CB 4.39Å; A151-I387 HydrophobicContact CB-CG1 3.7Å; N352-I387 WeakPolarHBondContact O-CB 3.45Å; N352-I387 VanDerWaalsContact O-CG2 3.29Å; N352-I387 WeakPolarHBondContact O-CG2 3.26Å; T353-I387 HydrophobicContact CG2-CD1 4.33Å; A355-I387 HydrophobicContact CB-CG2 4.34Å; C356-I387 HydrophobicContact CB-CG2 4Å; S384-I387 WeakPolarHBondContact O-CB 3.39Å; S384-I387 WeakPolarHBondContact O-CG1 3.4Å; S384-I387 PolarHBondContact O-N 2.74Å; C385-I387 PolarHBondContact O-N 3.26Å |
| 388 | A | 94.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -89.3 | -41.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L239 C241 A355 V372 C385 L390 R391 | L239-A388 HydrophobicContact CD2-CB 4.36Å; C241-A388 HydrophobicContact CB-CB 4.29Å; A355-A388 HydrophobicContact CB-CB 4.23Å; V372-A388 HydrophobicContact CG1-CB 3.97Å; V372-A388 WeakPolarHBondContact CG2-O 3.5Å; C385-A388 PolarHBondContact O-N 3.12Å; A388-L390 PolarHBondContact O-N 3.1Å; A388-L390 VanDerWaalsContact O-N 3.13Å; A388-R391 WeakPolarHBondContact O-CB 3.49Å; A388-R391 PolarHBondContact O-N 3.14Å |
| 389 | L | 95.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -58.1 | -30.7 | -172.3 | -68.9 | 166.1 | 0 | 0 | 0 | 114.3 | L166 L170 V372 I374 C385 W386 R391 C395 L397 L422 | L166-L389 HydrophobicContact CD2-CD2 4.43Å; L170-L389 HydrophobicContact CD1-CD1 4.21Å; V372-L389 HydrophobicContact CG1-CD2 4.13Å; I374-L389 HydrophobicContact CD1-CD1 4.48Å; I374-L389 HydrophobicContact CD1-CD2 4.06Å; I374-L389 HydrophobicContact CD1-CG 4.04Å; C385-L389 HydrophobicContact CB-CD1 3.89Å; C385-L389 WeakPolarHBondContact O-CG 3.44Å; C385-L389 PolarHBondContact O-N 3.45Å; W386-L389 HydrophobicContact CD2-CD1 4.17Å; W386-L389 HydrophobicContact CE3-CB 3.94Å; W386-L389 HydrophobicContact CE3-CD1 4.05Å; W386-L389 HydrophobicContact CZ3-CB 4.21Å; W386-L389 HydrophobicContact CZ3-CD1 4.32Å; L389-R391 PolarHBondContact O-N 3.37Å; L389-C395 HydrophobicContact CD2-CB 3.34Å; L389-L397 HydrophobicContact CD2-CD2 4.49Å; L389-L422 HydrophobicContact CD1-CD2 3.44Å; L389-L422 VanDerWaalsContact CD1-CD2 3.44Å |
| 390 | L | 93.5 | Very high | 95.8 | Very high | 17 Ų | 17 | 11.8 Ų | 11.8 | 9% | 0.089 | 5% | 0.051 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -7.9 | 180 | -63.9 | 174.6 | 0 | 0 | 0 | 114.1 | V154 L155 Y158 I167 W386 A388 | V154-L390 HydrophobicContact CB-CD1 4.26Å; V154-L390 HydrophobicContact CG1-CD1 3.96Å; L155-L390 HydrophobicContact CB-CD1 4.34Å; L155-L390 HydrophobicContact CD1-CD2 3.99Å; Y158-L390 HydrophobicContact CD2-CD2 3.87Å; Y158-L390 HydrophobicContact CE2-CB 4.34Å; Y158-L390 HydrophobicContact CE2-CD2 3.98Å; Y158-L390 HydrophobicContact CG-CD2 4.39Å; Y158-L390 PolarHBondContact OH-O 2.95Å; I167-L390 HydrophobicContact CD1-CD2 3.88Å; I167-L390 HydrophobicContact CG1-CD2 4.5Å; W386-L390 HydrophobicContact CE3-CD2 4.17Å; W386-L390 HydrophobicContact CE3-CG 4.39Å; W386-L390 HydrophobicContact CZ3-CD2 4.4Å; W386-L390 WeakPolarHBondContact O-CD1 3.48Å; W386-L390 WeakPolarHBondContact O-CG 3.38Å; A388-L390 PolarHBondContact O-N 3.1Å; A388-L390 VanDerWaalsContact O-N 3.13Å |
| 391 | R | 92.5 | Very high | 95.8 | Very high | 24 Ų | 24 | 13.3 Ų | 13.3 | 9% | 0.091 | 6% | 0.057 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | -3.5 | -177.7 | -64.4 | -58.5 | -160.2 | 117.7 | 0.3 | 114.8 | L239 D357 L361 F369 A388 L389 | L239-R391 HydrophobicContact CD2-CB 4.15Å; L239-R391 HydrophobicContact CD2-CG 4.38Å; D357-R391 IonicContact OD1-CZ 3.72Å; D357-R391 VanDerWaalsContact OD1-CZ 3.25Å; D357-R391 IonicContact OD1-NE 3.33Å; D357-R391 PolarHBondContact OD1-NE 3Å; D357-R391 IonicContact OD1-NH2 2.86Å; D357-R391 PolarHBondContact OD1-NH2 3.44Å; L361-R391 PolarHBondContact O-NH1 2.81Å; L361-R391 PolarHBondContact O-NH2 3.26Å; F369-R391 HydrophobicContact CD2-CB 4.33Å; A388-R391 WeakPolarHBondContact O-CB 3.49Å; A388-R391 PolarHBondContact O-N 3.14Å; L389-R391 PolarHBondContact O-N 3.37Å |
| 392 | A | 94.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 6% | 0.057 | C | C | . | . | trans | -144.9 | 162.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113 | A163 F369 V372 | A163-A392 WeakPolarHBondContact CA-O 3.36Å; A163-A392 WeakPolarHBondContact CB-O 3.36Å; F369-A392 HydrophobicContact CB-CB 4.44Å; F369-A392 WeakPolarHBondContact O-CA 3.37Å; V372-A392 HydrophobicContact CB-CB 4.05Å; V372-A392 HydrophobicContact CG2-CB 3.47Å; V372-A392 VanDerWaalsContact CG2-CB 3.47Å | ||
| 393 | R | 94.3 | Very high | 95.7 | Very high | 130 Ų | 130 | 13.5 Ų | 13.5 | 49% | 0.491 | 6% | 0.057 | S | C | . | . | S | Bend | trans | -87.6 | -24.4 | 177.8 | 56.5 | 177.4 | 174 | -166.5 | -3.1 | 113.9 | P162 Q236 D370 | P162-R393 VanDerWaalsContact O-CA 3.31Å; P162-R393 WeakPolarHBondContact O-CA 3.46Å; P162-R393 WeakPolarHBondContact O-CB 3.44Å; Q236-R393 VanDerWaalsContact OE1-NH2 3.08Å; D370-R393 WeakPolarHBondContact O-CG 3.42Å; D370-R393 PolarHBondContact O-N 3.1Å; D370-R393 IonicContact OD1-CZ 2.86Å; D370-R393 VanDerWaalsContact OD1-CZ 3.31Å; D370-R393 IonicContact OD1-NE 2.78Å; D370-R393 IonicContact OD1-NH2 2.71Å; D370-R393 PolarHBondContact OD1-NH2 3.47Å |
| 394 | K | 95.6 | Very high | 95.5 | Very high | 6 Ų | 6 | 13.7 Ų | 13.7 | 3% | 0.026 | 6% | 0.057 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 141.1 | -179.5 | -179.9 | 171 | 172.8 | 175.7 | 0 | 110.1 | A203 L204 Q206 R207 E208 D370 W371 V372 | A203-K394 VanDerWaalsContact O-CE 3.27Å; A203-K394 WeakPolarHBondContact O-CE 3.22Å; A203-K394 PolarHBondContact O-NZ 3.45Å; L204-K394 PolarHBondContact O-NZ 3.29Å; L204-K394 VanDerWaalsContact O-NZ 3.1Å; Q206-K394 WeakPolarHBondContact O-CE 3.25Å; Q206-K394 PolarHBondContact O-NZ 2.9Å; R207-K394 VanDerWaalsContact O-CB 3.3Å; R207-K394 WeakPolarHBondContact O-CB 3.3Å; R207-K394 WeakPolarHBondContact O-CD 3.44Å; R207-K394 VanDerWaalsContact O-CG 3.27Å; R207-K394 WeakPolarHBondContact O-CG 3.22Å; E208-K394 CarbonylContact O-C 3.6Å; E208-K394 WeakPolarHBondContact O-CA 3.41Å; D370-K394 PolarHBondContact O-N 3.15Å; W371-K394 WeakPolarHBondContact CA-O 3.47Å; W371-K394 HydrophobicContact CD2-CD 3.99Å; W371-K394 HydrophobicContact CG-CB 4.34Å; W371-K394 HydrophobicContact CG-CD 4.27Å; W371-K394 HydrophobicContact CG-CG 4.5Å; W371-K394 HydrophobicContact CZ2-CD 4.11Å; V372-K394 PolarHBondContact N-O 3.19Å |
| 395 | C | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 149.2 | 168.6 | 82.6 | 0 | 0 | 0 | 0 | 113.8 | L166 E208 L209 A210 V372 L389 | L166-C395 HydrophobicContact CD1-CB 4.41Å; L166-C395 HydrophobicContact CD2-CB 4.02Å; E208-C395 PolarHBondContact O-N 3.28Å; L209-C395 VanDerWaalsContact CD1-SG 3.58Å; A210-C395 PolarHBondContact N-O 3.28Å; A210-C395 VanDerWaalsContact N-O 3.09Å; V372-C395 CarbonylContact O-C 3.53Å; V372-C395 WeakPolarHBondContact O-CA 3.13Å; L389-C395 HydrophobicContact CD2-CB 3.34Å |
| 396 | I | 98.3 | Very high | 94.9 | Very high | 1 Ų | 1 | 14.8 Ų | 14.8 | 1% | 0.005 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 115.5 | 175.8 | -54.3 | -176.9 | 0 | 0 | 0 | 107.2 | A203 A210 I227 W371 V372 V373 I374 | A203-I396 HydrophobicContact CB-CD1 4.36Å; A210-I396 HydrophobicContact CB-CG1 4.46Å; A210-I396 CarbonylContact O-C 3.55Å; A210-I396 WeakPolarHBondContact O-CA 3.36Å; I227-I396 HydrophobicContact CG2-CD1 3.38Å; W371-I396 HydrophobicContact CE3-CD1 3.52Å; W371-I396 HydrophobicContact CZ3-CD1 3.61Å; V372-I396 PolarHBondContact O-N 3.31Å; V373-I396 CarbonylContact C-O 3.57Å; V373-I396 WeakPolarHBondContact CA-O 3.48Å; V373-I396 HydrophobicContact CG2-CB 4.3Å; I374-I396 PolarHBondContact N-O 3.03Å |
| 397 | L | 98.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 122.9 | -178.2 | -50.8 | -177.3 | 0 | 0 | 0 | 108.7 | L209 A210 V211 V212 I374 C377 L389 L422 L426 | L209-L397 HydrophobicContact CD1-CD1 4.09Å; L209-L397 HydrophobicContact CD1-CG 4.2Å; A210-L397 PolarHBondContact O-N 3.24Å; V211-L397 CarbonylContact C-O 3.56Å; V211-L397 VanDerWaalsContact CA-O 3.29Å; V211-L397 WeakPolarHBondContact CA-O 3.4Å; V211-L397 HydrophobicContact CG2-CB 4.37Å; V212-L397 PolarHBondContact N-O 3.34Å; I374-L397 HydrophobicContact CB-CD2 4.04Å; I374-L397 HydrophobicContact CD1-CD2 4.1Å; I374-L397 HydrophobicContact CG1-CD2 4.19Å; C377-L397 HydrophobicContact CB-CB 4.21Å; L389-L397 HydrophobicContact CD2-CD2 4.49Å; L397-L422 HydrophobicContact CD1-CD2 3.92Å; L397-L422 HydrophobicContact CD1-CG 3.99Å; L397-L422 HydrophobicContact CD2-CD2 4.36Å; L397-L426 HydrophobicContact CD1-CD1 3.47Å; L397-L426 VanDerWaalsContact CD1-CD1 3.47Å |
| 398 | A | 98.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 140.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | V212 K220 V224 I374 D375 E376 C377 | V212-A398 HydrophobicContact CB-CB 4.31Å; V212-A398 WeakPolarHBondContact O-CA 3.26Å; K220-A398 HydrophobicContact CD-CB 4.34Å; K220-A398 HydrophobicContact CG-CB 4.28Å; V224-A398 HydrophobicContact CG2-CB 3.38Å; I374-A398 PolarHBondContact O-N 3.31Å; D375-A398 CarbonylContact C-O 3.57Å; E376-A398 PolarHBondContact N-O 3.03Å; C377-A398 PolarHBondContact N-O 2.96Å |
| 399 | G | 96.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 168 | -162.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V212 G214 M423 | V212-G399 PolarHBondContact O-N 3.15Å; G214-G399 PolarHBondContact N-O 3.01Å; G399-M423 VanDerWaalsContact C-CE 3.5Å; G399-M423 VanDerWaalsContact CA-SD 3.56Å; G399-M423 WeakPolarHBondContact O-CE 3.39Å |
| 400 | D | 96.3 | Very high | 93.5 | Very high | 3 Ų | 3 | 25.9 Ų | 25.9 | 2% | 0.016 | 12% | 0.123 | C | C | . | . | trans | -147.9 | 107.4 | 174.4 | -176 | 2.3 | 0 | 0 | 0 | 111 | H213 A378 K402 Q403 Y457 | H213-D400 IonicContact CD2-OD1 3.79Å; H213-D400 IonicContact CE1-OD1 3.16Å; H213-D400 IonicContact NE2-OD1 2.85Å; H213-D400 PolarHBondContact NE2-OD1 3.08Å; A378-D400 WeakPolarHBondContact CB-O 3.47Å; D400-K402 PolarHBondContact O-N 2.78Å; D400-K402 WeakPolarHBondContact OD1-CB 3.14Å; D400-K402 PolarHBondContact OD1-N 2.65Å; D400-Q403 HydrophobicContact CB-CB 4.35Å; D400-Q403 HydrophobicContact CB-CG 4.27Å; D400-Q403 PolarHBondContact O-N 2.97Å; D400-Q403 VanDerWaalsContact O-N 3.17Å; D400-Q403 WeakPolarHBondContact OD2-CG 3.5Å; D400-Q403 PolarHBondContact OD2-NE2 2.92Å; D400-Y457 PolarHBondContact OD2-OH 3.44Å | ||
| 401 | Y | 94.7 | Very high | 93.2 | Very high | 32 Ų | 32 | 32.6 Ų | 32.6 | 13% | 0.125 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -8.7 | 179.9 | 77.5 | -74.4 | 0 | 0 | 0 | 113.6 | H213 E424 I427 R595 | H213-Y401 AromaticContact CE1-CD1 3.84Å; H213-Y401 AromaticContact CE1-CE1 3.41Å; H213-Y401 VanDerWaalsContact CE1-CE1 3.41Å; H213-Y401 WeakPolarHBondContact CE1-CE1 3.47Å; H213-Y401 AromaticContact ND1-CE1 3.71Å; H213-Y401 AromaticContact NE2-CD1 3.84Å; H213-Y401 AromaticContact NE2-CE1 3.9Å; Y401-E424 HydrophobicContact CD2-CG 3.99Å; Y401-E424 HydrophobicContact CG-CG 4.45Å; Y401-I427 HydrophobicContact CD1-CD1 3.42Å; Y401-I427 VanDerWaalsContact CD1-CD1 3.42Å; Y401-I427 HydrophobicContact CE1-CD1 3.82Å; Y401-I427 HydrophobicContact CE1-CG2 4.06Å; Y401-I427 HydrophobicContact CG-CD1 4.01Å; Y401-R595 PolarHBondContact O-NE 3.34Å; Y401-R595 PolarHBondContact O-NH1 3.13Å |
| 402 | K | 95.3 | Very high | 93.2 | Very high | 38 Ų | 38 | 35.1 Ų | 35.1 | 17% | 0.165 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -7.9 | 171.4 | -59 | -71.7 | -172.8 | 141.8 | 0 | 112.5 | D400 M456 Y457 R595 N598 | D400-K402 PolarHBondContact O-N 2.78Å; D400-K402 WeakPolarHBondContact OD1-CB 3.14Å; D400-K402 PolarHBondContact OD1-N 2.65Å; K402-M456 HydrophobicContact CB-SD 4Å; K402-M456 WeakPolarHBondContact CD-O 3.29Å; K402-M456 HydrophobicContact CD-SD 4.07Å; K402-M456 WeakPolarHBondContact CE-O 3.48Å; K402-M456 PolarHBondContact NZ-O 3.32Å; K402-Y457 HydrophobicContact CB-CD1 4.44Å; K402-Y457 HydrophobicContact CB-CE1 3.62Å; K402-Y457 HydrophobicContact CG-CD1 4.18Å; K402-Y457 HydrophobicContact CG-CE1 3.81Å; K402-R595 WeakPolarHBondContact O-CG 3.31Å; K402-N598 PolarHBondContact O-ND2 3.33Å |
| 403 | Q | 93.8 | Very high | 93.1 | Very high | 13 Ų | 13 | 35.1 Ų | 35.1 | 6% | 0.061 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -94.7 | -174.8 | 169.7 | -72 | -178.7 | 76.6 | 0 | 0 | 111.1 | P216 D400 R595 V599 | P216-Q403 HydrophobicContact CG-CG 4.46Å; D400-Q403 HydrophobicContact CB-CB 4.35Å; D400-Q403 HydrophobicContact CB-CG 4.27Å; D400-Q403 PolarHBondContact O-N 2.97Å; D400-Q403 VanDerWaalsContact O-N 3.17Å; D400-Q403 WeakPolarHBondContact OD2-CG 3.5Å; D400-Q403 PolarHBondContact OD2-NE2 2.92Å; Q403-R595 WeakPolarHBondContact O-CD 3.47Å; Q403-V599 HydrophobicContact CB-CG2 3.53Å; Q403-V599 HydrophobicContact CG-CG2 3.54Å |
| 404 | L | 91.1 | Very high | 92.9 | Very high | 4 Ų | 4 | 29.8 Ų | 29.8 | 2% | 0.021 | 16% | 0.156 | C | C | . | . | trans | -56.3 | 130 | -172 | -74.5 | 172.3 | 0 | 0 | 0 | 112.8 | V564 D565 R596 V599 | L404-V564 HydrophobicContact CD1-CG1 4.49Å; L404-D565 HydrophobicContact CD1-CB 4.07Å; L404-R596 HydrophobicContact CD2-CB 3.88Å; L404-R596 HydrophobicContact CD2-CG 4.21Å; L404-V599 HydrophobicContact CD1-CG1 4.45Å; L404-V599 HydrophobicContact CG-CB 4.49Å; L404-V599 HydrophobicContact CG-CG2 4.09Å | ||
| 405 | P | 91.6 | Very high | 92.7 | Very high | 24 Ų | 24 | 33.8 Ų | 33.8 | 16% | 0.156 | 19% | 0.19 | C | C | . | . | trans | -71.9 | 178.3 | 173 | 34.4 | -36.4 | 0 | 0 | 0 | 110.8 | T407 | P405-T407 PolarHBondContact O-N 3.34Š| ||
| 406 | P | 90.3 | Very high | 92.5 | Very high | 9 Ų | 9 | 38.7 Ų | 38.7 | 6% | 0.058 | 21% | 0.212 | C | C | . | . | trans | -59 | 130.3 | 173.1 | -20.1 | 32.9 | 0 | 0 | 0 | 111.1 | A380 L381 I408 S419 | A380-P406 VanDerWaalsContact C-CG 3.44Å; A380-P406 WeakPolarHBondContact O-CG 3.25Å; L381-P406 HydrophobicContact CD2-CB 3.59Å; L381-P406 HydrophobicContact CD2-CG 4.17Å; L381-P406 HydrophobicContact CG-CB 3.91Å; P406-I408 PolarHBondContact O-N 3.47Å; P406-S419 WeakPolarHBondContact CD-O 3.41Å | ||
| 407 | T | 86.3 | Confident | 92.2 | Very high | 103 Ų | 103 | 40.1 Ų | 40.1 | 63% | 0.632 | 23% | 0.227 | S | C | * | . | trans | -68.6 | 124.7 | 176.4 | -46.2 | 0 | 0 | 0 | 0 | 110.3 | P405 | P405-T407 PolarHBondContact O-N 3.34Š| ||
| 408 | I | 88.1 | Confident | 92 | Very high | 26 Ų | 26 | 40.7 Ų | 40.7 | 13% | 0.133 | 23% | 0.23 | C | C | . | . | trans | -129.1 | 136.1 | -177.1 | -67.5 | 161 | 0 | 0 | 0 | 108.5 | E18 L381 P406 S410 A414 L418 S419 | E18-I408 WeakPolarHBondContact OE1-CA 3.24Å; E18-I408 VanDerWaalsContact OE2-CG2 3.25Å; E18-I408 WeakPolarHBondContact OE2-CG2 3.07Å; L381-I408 HydrophobicContact CD2-CD1 3.99Å; L381-I408 HydrophobicContact CD2-CG1 4.06Å; P406-I408 PolarHBondContact O-N 3.47Å; I408-S410 WeakPolarHBondContact CG2-O 3.42Å; I408-A414 HydrophobicContact CB-CB 4.29Å; I408-A414 HydrophobicContact CD1-CB 4.26Å; I408-A414 HydrophobicContact CG2-CB 3.94Å; I408-L418 HydrophobicContact CD1-CB 3.91Å; I408-L418 HydrophobicContact CD1-CD2 4.24Å; I408-L418 HydrophobicContact CD1-CG 3.8Å; I408-L418 WeakPolarHBondContact CD1-O 3.48Å; I408-L418 HydrophobicContact CG1-CD2 4.35Å; I408-L418 HydrophobicContact CG1-CG 4.35Å; I408-L418 HydrophobicContact CG2-CD2 4.15Å; I408-S419 VanDerWaalsContact CD1-N 3.25Å | ||
| 409 | K | 86.6 | Confident | 91.7 | Very high | 104 Ų | 104 | 42.7 Ų | 42.7 | 45% | 0.452 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -80.9 | -44 | 179.9 | -67.1 | -63.3 | -164.5 | 151.8 | 0 | 112 | E18 A21 E25 Q411 | E18-K409 VanDerWaalsContact CD-N 3.35Å; E18-K409 PolarHBondContact OE1-N 3.05Å; E18-K409 PolarHBondContact OE2-N 3.28Å; E18-K409 VanDerWaalsContact OE2-N 3.11Å; A21-K409 HydrophobicContact CB-CB 4.39Å; E25-K409 IonicContact OE1-NZ 3.26Å; E25-K409 PolarHBondContact OE1-NZ 2.88Å; E25-K409 VanDerWaalsContact OE2-CD 3.31Å; E25-K409 WeakPolarHBondContact OE2-CD 3.27Å; E25-K409 WeakPolarHBondContact OE2-CE 3.23Å; E25-K409 IonicContact OE2-NZ 3.6Å; E25-K409 PolarHBondContact OE2-NZ 2.78Å; K409-Q411 PolarHBondContact O-N 2.98Å |
| 410 | S | 89.6 | Confident | 91.6 | Very high | 10 Ų | 10 | 45.6 Ų | 45.6 | 7% | 0.07 | 26% | 0.259 | C | S | . | . | trans | -79.2 | 100.4 | 178.9 | -179.9 | 0 | 0 | 0 | 0 | 110.9 | E18 I408 T412 A413 A414 | E18-S410 VanDerWaalsContact OE2-CB 3.23Å; E18-S410 WeakPolarHBondContact OE2-CB 3.35Å; E18-S410 PolarHBondContact OE2-N 2.99Å; I408-S410 WeakPolarHBondContact CG2-O 3.42Å; S410-T412 PolarHBondContact O-N 3.16Å; S410-T412 PolarHBondContact OG-OG1 3.19Å; S410-A413 PolarHBondContact O-N 3.32Å; S410-A413 VanDerWaalsContact O-N 3.08Å; S410-A413 WeakPolarHBondContact OG-CB 3.48Å; S410-A413 PolarHBondContact OG-N 2.64Å; S410-A413 VanDerWaalsContact OG-N 3.15Å; S410-A414 PolarHBondContact O-N 3.11Å | ||
| 411 | Q | 87.8 | Confident | 91.7 | Very high | 157 Ų | 157 | 45.4 Ų | 45.4 | 73% | 0.734 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -53.9 | -34.7 | 172.5 | -72.9 | -74.5 | -1.6 | 0 | 0 | 112.2 | K409 A415 | K409-Q411 PolarHBondContact O-N 2.98Å; Q411-A415 WeakPolarHBondContact O-CB 3.47Å; Q411-A415 PolarHBondContact O-N 3.32Å |
| 412 | T | 92.1 | Very high | 91.8 | Very high | 78 Ų | 78 | 43.9 Ų | 43.9 | 48% | 0.479 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -71.1 | -40 | 176.4 | 49.3 | 0 | 0 | 0 | 0 | 112.2 | E17 S410 K416 | E17-T412 VanDerWaalsContact OE1-CB 3.23Å; E17-T412 WeakPolarHBondContact OE1-CB 3.45Å; E17-T412 PolarHBondContact OE1-OG1 2.84Å; S410-T412 PolarHBondContact O-N 3.16Å; S410-T412 PolarHBondContact OG-OG1 3.19Å; T412-K416 WeakPolarHBondContact O-CB 3.43Å; T412-K416 WeakPolarHBondContact O-CD 3.35Å; T412-K416 WeakPolarHBondContact O-CG 3.38Å; T412-K416 PolarHBondContact O-N 2.94Å |
| 413 | A | 93.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.2 | -41 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L14 E17 S410 K416 G417 L418 | L14-A413 HydrophobicContact CD2-CB 4.3Å; E17-A413 HydrophobicContact CB-CB 4.4Å; E17-A413 HydrophobicContact CG-CB 4.27Å; S410-A413 PolarHBondContact O-N 3.32Å; S410-A413 VanDerWaalsContact O-N 3.08Å; S410-A413 WeakPolarHBondContact OG-CB 3.48Å; S410-A413 PolarHBondContact OG-N 2.64Å; S410-A413 VanDerWaalsContact OG-N 3.15Å; A413-K416 PolarHBondContact O-N 3.11Å; A413-G417 PolarHBondContact O-N 3.36Å; A413-L418 HydrophobicContact CB-CB 4.34Å; A413-L418 HydrophobicContact CB-CD2 3.86Å; A413-L418 WeakPolarHBondContact O-CB 3.24Å; A413-L418 PolarHBondContact O-N 2.77Å |
| 414 | A | 90.4 | Very high | 92 | Very high | 17 Ų | 17 | 42.3 Ų | 42.3 | 14% | 0.14 | 25% | 0.245 | C | C | . | . | I | π-helix | trans | -57 | -52.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | I408 S410 K416 G417 S419 | I408-A414 HydrophobicContact CB-CB 4.29Å; I408-A414 HydrophobicContact CD1-CB 4.26Å; I408-A414 HydrophobicContact CG2-CB 3.94Å; S410-A414 PolarHBondContact O-N 3.11Å; A414-K416 VanDerWaalsContact C-N 3.29Å; A414-K416 PolarHBondContact O-N 2.88Å; A414-G417 WeakPolarHBondContact O-CA 3.38Å; A414-G417 PolarHBondContact O-N 2.99Å; A414-S419 PolarHBondContact O-OG 2.82Å |
| 415 | A | 90.4 | Very high | 92.2 | Very high | 91 Ų | 91 | 44.2 Ų | 44.2 | 75% | 0.752 | 25% | 0.252 | S | S | * | . | I | π-helix | trans | -61.7 | -31.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q411 G417 | Q411-A415 WeakPolarHBondContact O-CB 3.47Å; Q411-A415 PolarHBondContact O-N 3.32Å; A415-G417 PolarHBondContact O-N 3.22Å |
| 416 | K | 93.3 | Very high | 92.5 | Very high | 103 Ų | 103 | 43 Ų | 43 | 45% | 0.448 | 24% | 0.244 | S | C | . | . | I | π-helix | trans | -73.6 | -5.6 | 172.8 | -69.4 | 165.9 | -170.3 | 171.2 | 0 | 113.4 | K10 L14 E17 T412 A413 A414 | K10-K416 WeakPolarHBondContact CE-O 3.24Å; K10-K416 PolarHBondContact NZ-O 3.42Å; L14-K416 HydrophobicContact CD1-CB 4.29Å; L14-K416 HydrophobicContact CD2-CB 3.44Å; L14-K416 VanDerWaalsContact CD2-CB 3.44Å; L14-K416 HydrophobicContact CD2-CD 3.48Å; L14-K416 VanDerWaalsContact CD2-CD 3.48Å; L14-K416 HydrophobicContact CD2-CG 4.11Å; E17-K416 IonicContact OE1-NZ 3.16Å; E17-K416 PolarHBondContact OE1-NZ 3.45Å; E17-K416 IonicContact OE2-NZ 3.29Å; E17-K416 PolarHBondContact OE2-NZ 3.44Å; T412-K416 WeakPolarHBondContact O-CB 3.43Å; T412-K416 WeakPolarHBondContact O-CD 3.35Å; T412-K416 WeakPolarHBondContact O-CG 3.38Å; T412-K416 PolarHBondContact O-N 2.94Å; A413-K416 PolarHBondContact O-N 3.11Å; A414-K416 VanDerWaalsContact C-N 3.29Å; A414-K416 PolarHBondContact O-N 2.88Å |
| 417 | G | 92.1 | Very high | 92.7 | Very high | 31 Ų | 31 | 43.4 Ų | 43.4 | 32% | 0.32 | 25% | 0.246 | S | C | . | . | I | π-helix | trans | 111.3 | 13.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | A413 A414 A415 S419 L420 | A413-G417 PolarHBondContact O-N 3.36Å; A414-G417 WeakPolarHBondContact O-CA 3.38Å; A414-G417 PolarHBondContact O-N 2.99Å; A415-G417 PolarHBondContact O-N 3.22Å; G417-S419 PolarHBondContact O-N 3.24Å; G417-L420 PolarHBondContact O-N 3.14Å |
| 418 | L | 93.9 | Very high | 93.1 | Very high | 12 Ų | 12 | 44.7 Ų | 44.7 | 6% | 0.063 | 24% | 0.244 | C | C | . | . | I | π-helix | trans | -66.9 | -24.4 | 174.8 | -173.2 | 62.2 | 0 | 0 | 0 | 112.4 | L14 L15 E18 L381 I408 A413 L420 | L14-L418 HydrophobicContact CB-CB 4.29Å; L14-L418 HydrophobicContact CB-CD1 4.18Å; L14-L418 HydrophobicContact CB-CD2 4.37Å; L14-L418 HydrophobicContact CD1-CB 4.23Å; L15-L418 HydrophobicContact CD2-CD1 4.25Å; E18-L418 HydrophobicContact CB-CD2 3.8Å; E18-L418 HydrophobicContact CG-CD2 4.15Å; L381-L418 HydrophobicContact CD2-CD1 4.12Å; L381-L418 HydrophobicContact CD2-CG 3.98Å; L381-L418 WeakPolarHBondContact CD2-O 3.44Å; I408-L418 HydrophobicContact CD1-CB 3.91Å; I408-L418 HydrophobicContact CD1-CD2 4.24Å; I408-L418 HydrophobicContact CD1-CG 3.8Å; I408-L418 WeakPolarHBondContact CD1-O 3.48Å; I408-L418 HydrophobicContact CG1-CD2 4.35Å; I408-L418 HydrophobicContact CG1-CG 4.35Å; I408-L418 HydrophobicContact CG2-CD2 4.15Å; A413-L418 HydrophobicContact CB-CB 4.34Å; A413-L418 HydrophobicContact CB-CD2 3.86Å; A413-L418 WeakPolarHBondContact O-CB 3.24Å; A413-L418 PolarHBondContact O-N 2.77Å; L418-L420 VanDerWaalsContact C-N 3.31Å |
| 419 | S | 92.8 | Very high | 93.3 | Very high | 41 Ų | 41 | 47.3 Ų | 47.3 | 29% | 0.287 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -15.5 | 177.1 | 52.8 | 0 | 0 | 0 | 0 | 114.1 | P406 I408 A414 G417 S421 | P406-S419 WeakPolarHBondContact CD-O 3.41Å; I408-S419 VanDerWaalsContact CD1-N 3.25Å; A414-S419 PolarHBondContact O-OG 2.82Å; G417-S419 PolarHBondContact O-N 3.24Å; S419-S421 PolarHBondContact O-N 3.08Å |
| 420 | L | 95.1 | Very high | 93.7 | Very high | 61 Ų | 61 | 43.4 Ų | 43.4 | 32% | 0.319 | 24% | 0.244 | S | C | . | . | trans | -72.9 | 110.5 | 178 | -175.1 | 66.2 | 0 | 0 | 0 | 109.2 | G417 L418 E424 R425 | G417-L420 PolarHBondContact O-N 3.14Å; L418-L420 VanDerWaalsContact C-N 3.31Å; L420-E424 HydrophobicContact CD1-CB 3.95Å; L420-E424 HydrophobicContact CD1-CG 3.65Å; L420-R425 HydrophobicContact CD2-CB 3.99Å; L420-R425 HydrophobicContact CD2-CG 4.17Å; L420-R425 HydrophobicContact CG-CB 4.12Å | ||
| 421 | S | 97 | Very high | 93.8 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | B | Isolated β-bridge | trans | -71.5 | 156.2 | 176 | 70.8 | 0 | 0 | 0 | 0 | 111.5 | A378 S419 M423 E424 R425 | A378-S421 WeakPolarHBondContact O-CB 3.4Å; S419-S421 PolarHBondContact O-N 3.08Å; S421-M423 VanDerWaalsContact C-N 3.26Å; S421-M423 PolarHBondContact O-N 3.42Å; S421-E424 PolarHBondContact O-N 3.19Å; S421-E424 VanDerWaalsContact OG-CB 3.24Å; S421-E424 WeakPolarHBondContact OG-CB 3.16Å; S421-E424 PolarHBondContact OG-N 3.46Å; S421-E424 VanDerWaalsContact OG-N 3.13Å; S421-R425 PolarHBondContact O-N 3.16Å |
| 422 | L | 97 | Very high | 93.9 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -55.1 | -45 | 174.5 | 177.5 | 63.5 | 0 | 0 | 0 | 111.4 | E382 C385 L389 L397 R425 L426 | E382-L422 HydrophobicContact CB-CB 4.11Å; E382-L422 HydrophobicContact CG-CB 3.93Å; E382-L422 HydrophobicContact CG-CD1 4.02Å; E382-L422 HydrophobicContact CG-CG 4.49Å; C385-L422 HydrophobicContact CB-CD2 3.87Å; L389-L422 HydrophobicContact CD1-CD2 3.44Å; L389-L422 VanDerWaalsContact CD1-CD2 3.44Å; L397-L422 HydrophobicContact CD1-CD2 3.92Å; L397-L422 HydrophobicContact CD1-CG 3.99Å; L397-L422 HydrophobicContact CD2-CD2 4.36Å; L422-R425 PolarHBondContact O-N 3.1Å; L422-L426 HydrophobicContact CD1-CD1 3.79Å; L422-L426 HydrophobicContact CD1-CG 4.19Å; L422-L426 HydrophobicContact CG-CD1 3.8Å; L422-L426 WeakPolarHBondContact O-CD1 3.47Å; L422-L426 VanDerWaalsContact O-CG 3.24Å; L422-L426 WeakPolarHBondContact O-CG 3.39Å; L422-L426 PolarHBondContact O-N 3.45Å |
| 423 | M | 97.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.2 | -48.6 | 179.4 | 177.4 | 172.2 | -179 | 0 | 0 | 111.3 | V211 H213 C377 A378 G399 S421 L426 I427 | V211-M423 HydrophobicContact CG1-CE 3.74Å; V211-M423 HydrophobicContact CG1-CG 4.05Å; V211-M423 HydrophobicContact CG1-SD 4.49Å; H213-M423 HydrophobicContact CB-CE 4.22Å; C377-M423 HydrophobicContact CB-CB 4.15Å; C377-M423 HydrophobicContact CB-SD 4.36Å; A378-M423 HydrophobicContact CB-SD 3.99Å; G399-M423 VanDerWaalsContact C-CE 3.5Å; G399-M423 VanDerWaalsContact CA-SD 3.56Å; G399-M423 WeakPolarHBondContact O-CE 3.39Å; S421-M423 VanDerWaalsContact C-N 3.26Å; S421-M423 PolarHBondContact O-N 3.42Å; M423-L426 PolarHBondContact O-N 3.3Å; M423-I427 HydrophobicContact CE-CD1 3.84Å; M423-I427 HydrophobicContact CG-CD1 3.68Å; M423-I427 HydrophobicContact CG-CG1 4.43Å; M423-I427 WeakPolarHBondContact O-CD1 3.25Å; M423-I427 WeakPolarHBondContact O-CG1 3.48Å; M423-I427 PolarHBondContact O-N 2.9Å |
| 424 | E | 96.4 | Very high | 94 | Very high | 18 Ų | 18 | 41.6 Ų | 41.6 | 8% | 0.084 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.5 | -44.2 | 179.5 | -173.4 | 171.3 | 168.3 | 0 | 0 | 111.8 | Y401 L420 S421 L426 I427 H428 R595 | Y401-E424 HydrophobicContact CD2-CG 3.99Å; Y401-E424 HydrophobicContact CG-CG 4.45Å; L420-E424 HydrophobicContact CD1-CB 3.95Å; L420-E424 HydrophobicContact CD1-CG 3.65Å; S421-E424 PolarHBondContact O-N 3.19Å; S421-E424 VanDerWaalsContact OG-CB 3.24Å; S421-E424 WeakPolarHBondContact OG-CB 3.16Å; S421-E424 PolarHBondContact OG-N 3.46Å; S421-E424 VanDerWaalsContact OG-N 3.13Å; E424-L426 VanDerWaalsContact C-N 3.34Å; E424-L426 PolarHBondContact O-N 3.05Å; E424-I427 PolarHBondContact O-N 2.94Å; E424-H428 PolarHBondContact O-CD2 3.01Å; E424-H428 PolarHBondContact O-N 3.05Å; E424-R595 IonicContact OE1-CZ 3.44Å; E424-R595 IonicContact OE1-NH1 3.59Å; E424-R595 PolarHBondContact OE1-NH1 3.05Å; E424-R595 IonicContact OE1-NH2 2.7Å; E424-R595 PolarHBondContact OE1-NH2 3.42Å; E424-R595 IonicContact OE2-CZ 3.95Å; E424-R595 IonicContact OE2-NH1 2.68Å; E424-R595 PolarHBondContact OE2-NH1 2.88Å; E424-R595 IonicContact OE2-NH2 2.72Å |
| 425 | R | 96.3 | Very high | 94.2 | Very high | 43 Ų | 43 | 41.2 Ų | 41.2 | 16% | 0.162 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.8 | -44.2 | 175.6 | -173.9 | 174.8 | 64.2 | 72.9 | -12.8 | 112.3 | L170 E382 L420 S421 L422 H428 T429 | L170-R425 PolarHBondContact O-NH1 2.78Å; L170-R425 PolarHBondContact O-NH2 3.08Å; E382-R425 IonicContact OE1-CZ 3.65Å; E382-R425 IonicContact OE1-NE 3.77Å; E382-R425 PolarHBondContact OE1-NE 3.04Å; E382-R425 IonicContact OE1-NH2 3.83Å; E382-R425 PolarHBondContact OE1-NH2 2.75Å; E382-R425 IonicContact OE2-CZ 2.87Å; E382-R425 IonicContact OE2-NE 3.84Å; E382-R425 PolarHBondContact OE2-NE 3.27Å; E382-R425 IonicContact OE2-NH2 3.68Å; L420-R425 HydrophobicContact CD2-CB 3.99Å; L420-R425 HydrophobicContact CD2-CG 4.17Å; L420-R425 HydrophobicContact CG-CB 4.12Å; S421-R425 PolarHBondContact O-N 3.16Å; L422-R425 PolarHBondContact O-N 3.1Å; R425-H428 PolarHBondContact O-N 3.43Å; R425-T429 WeakPolarHBondContact O-CB 3.48Å; R425-T429 PolarHBondContact O-N 3.04Å; R425-T429 VanDerWaalsContact O-N 3.11Å; R425-T429 PolarHBondContact O-OG1 2.82Å |
| 426 | L | 96.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -72.7 | -38.1 | -179 | -66.2 | 165.9 | 0 | 0 | 0 | 112.3 | L170 L209 L397 L422 M423 E424 H428 T429 Y430 | L170-L426 HydrophobicContact CD2-CD1 3.52Å; L170-L426 HydrophobicContact CD2-CD2 3.84Å; L170-L426 HydrophobicContact CD2-CG 4.31Å; L209-L426 HydrophobicContact CD1-CD1 4.18Å; L209-L426 HydrophobicContact CD2-CD1 4.06Å; L209-L426 HydrophobicContact CD2-CD2 4.13Å; L209-L426 HydrophobicContact CD2-CG 4.49Å; L397-L426 HydrophobicContact CD1-CD1 3.47Å; L397-L426 VanDerWaalsContact CD1-CD1 3.47Å; L422-L426 HydrophobicContact CD1-CD1 3.79Å; L422-L426 HydrophobicContact CD1-CG 4.19Å; L422-L426 HydrophobicContact CG-CD1 3.8Å; L422-L426 WeakPolarHBondContact O-CD1 3.47Å; L422-L426 VanDerWaalsContact O-CG 3.24Å; L422-L426 WeakPolarHBondContact O-CG 3.39Å; L422-L426 PolarHBondContact O-N 3.45Å; M423-L426 PolarHBondContact O-N 3.3Å; E424-L426 VanDerWaalsContact C-N 3.34Å; E424-L426 PolarHBondContact O-N 3.05Å; L426-H428 VanDerWaalsContact C-N 3.3Å; L426-H428 PolarHBondContact O-N 2.94Å; L426-T429 PolarHBondContact O-N 2.75Å; L426-T429 VanDerWaalsContact O-N 3.09Å; L426-Y430 HydrophobicContact CD2-CD2 4.14Å; L426-Y430 HydrophobicContact CD2-CE2 4.05Å; L426-Y430 WeakPolarHBondContact O-CB 3.39Å; L426-Y430 PolarHBondContact O-N 3.1Å |
| 427 | I | 95.3 | Very high | 94.8 | Very high | 17 Ų | 17 | 35.9 Ų | 35.9 | 9% | 0.087 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.8 | -45.3 | 173 | -70 | 166.5 | 0 | 0 | 0 | 110.2 | V211 Y401 M423 E424 T429 G431 V435 | V211-I427 HydrophobicContact CG1-CD1 4.29Å; V211-I427 HydrophobicContact CG1-CG1 4.15Å; Y401-I427 HydrophobicContact CD1-CD1 3.42Å; Y401-I427 VanDerWaalsContact CD1-CD1 3.42Å; Y401-I427 HydrophobicContact CE1-CD1 3.82Å; Y401-I427 HydrophobicContact CE1-CG2 4.06Å; Y401-I427 HydrophobicContact CG-CD1 4.01Å; M423-I427 HydrophobicContact CE-CD1 3.84Å; M423-I427 HydrophobicContact CG-CD1 3.68Å; M423-I427 HydrophobicContact CG-CG1 4.43Å; M423-I427 WeakPolarHBondContact O-CD1 3.25Å; M423-I427 WeakPolarHBondContact O-CG1 3.48Å; M423-I427 PolarHBondContact O-N 2.9Å; E424-I427 PolarHBondContact O-N 2.94Å; I427-T429 VanDerWaalsContact C-N 3.3Å; I427-T429 PolarHBondContact O-N 3.31Å; I427-G431 WeakPolarHBondContact O-CA 3.35Å; I427-G431 PolarHBondContact O-N 2.87Å; I427-V435 HydrophobicContact CB-CG2 4.35Å; I427-V435 HydrophobicContact CG1-CG2 3.68Å |
| 428 | H | 93.9 | Very high | 95.1 | Very high | 130 Ų | 130 | 34.4 Ų | 34.4 | 60% | 0.602 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -68.2 | -24.9 | 176.1 | -73.5 | -57.8 | 0 | 0 | 0 | 114.5 | E424 R425 L426 | E424-H428 PolarHBondContact O-CD2 3.01Å; E424-H428 PolarHBondContact O-N 3.05Å; R425-H428 PolarHBondContact O-N 3.43Å; L426-H428 VanDerWaalsContact C-N 3.3Å; L426-H428 PolarHBondContact O-N 2.94Å |
| 429 | T | 93.4 | Very high | 95.3 | Very high | 80 Ų | 80 | 35.9 Ų | 35.9 | 49% | 0.491 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -85 | -39.9 | -178.9 | -55.2 | 0 | 0 | 0 | 0 | 112.1 | R425 L426 I427 | R425-T429 WeakPolarHBondContact O-CB 3.48Å; R425-T429 PolarHBondContact O-N 3.04Å; R425-T429 VanDerWaalsContact O-N 3.11Å; R425-T429 PolarHBondContact O-OG1 2.82Å; L426-T429 PolarHBondContact O-N 2.75Å; L426-T429 VanDerWaalsContact O-N 3.09Å; I427-T429 VanDerWaalsContact C-N 3.3Å; I427-T429 PolarHBondContact O-N 3.31Å |
| 430 | Y | 94.5 | Very high | 95.5 | Very high | 23 Ų | 23 | 35.2 Ų | 35.2 | 9% | 0.09 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -118.8 | -22.3 | -166.1 | -73.2 | -63.1 | 0 | 0 | 0 | 114.7 | V169 A174 P176 L209 L426 S433 V434 | V169-Y430 PolarHBondContact O-OH 2.78Å; A174-Y430 PolarHBondContact O-OH 2.86Å; A174-Y430 VanDerWaalsContact O-OH 3.11Å; P176-Y430 VanDerWaalsContact CD-CE1 3.47Å; P176-Y430 HydrophobicContact CG-CD1 4.11Å; P176-Y430 HydrophobicContact CG-CE1 4.13Å; L209-Y430 HydrophobicContact CD2-CD2 4.44Å; L426-Y430 HydrophobicContact CD2-CD2 4.14Å; L426-Y430 HydrophobicContact CD2-CE2 4.05Å; L426-Y430 WeakPolarHBondContact O-CB 3.39Å; L426-Y430 PolarHBondContact O-N 3.1Å; Y430-S433 WeakPolarHBondContact O-CB 3.5Å; Y430-S433 PolarHBondContact O-N 3.35Å; Y430-S433 PolarHBondContact O-OG 3.1Å; Y430-V434 VanDerWaalsContact CB-CG2 3.49Å; Y430-V434 HydrophobicContact CD2-CG2 4.45Å; Y430-V434 HydrophobicContact CG-CG1 4.13Å; Y430-V434 HydrophobicContact CG-CG2 4.26Å |
| 431 | G | 92.3 | Very high | 95.6 | Very high | 27 Ų | 27 | 32.3 Ų | 32.3 | 28% | 0.278 | 18% | 0.175 | S | C | . | . | G | 310 helix | trans | 50.9 | -140.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | I427 S433 V434 V435 | I427-G431 WeakPolarHBondContact O-CA 3.35Å; I427-G431 PolarHBondContact O-N 2.87Å; G431-S433 PolarHBondContact O-N 2.96Å; G431-V434 PolarHBondContact O-N 3.2Å; G431-V435 WeakPolarHBondContact O-CB 3.42Å; G431-V435 WeakPolarHBondContact O-CG2 3.49Å; G431-V435 PolarHBondContact O-N 3.07Å; G431-V435 VanDerWaalsContact O-N 3.16Å |
| 432 | D | 90.1 | Very high | 95.6 | Very high | 118 Ų | 118 | 35.7 Ų | 35.7 | 63% | 0.631 | 19% | 0.188 | S | C | * | . | G | 310 helix | trans | -66.5 | -4.3 | -174.3 | -55.9 | -38.1 | 0 | 0 | 0 | 114.5 | V434 R436 | D432-V434 VanDerWaalsContact C-N 3.3Å; D432-R436 PolarHBondContact O-NH1 3.22Å |
| 433 | S | 91.7 | Very high | 95.6 | Very high | 62 Ų | 62 | 36.8 Ų | 36.8 | 43% | 0.434 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -70.4 | -24.9 | 172.2 | 69.2 | 0 | 0 | 0 | 0 | 113.4 | F202 Y430 G431 | F202-S433 WeakPolarHBondContact CZ-O 3.31Å; Y430-S433 WeakPolarHBondContact O-CB 3.5Å; Y430-S433 PolarHBondContact O-N 3.35Å; Y430-S433 PolarHBondContact O-OG 3.1Å; G431-S433 PolarHBondContact O-N 2.96Å |
| 434 | V | 94 | Very high | 95.6 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.8 | -9.7 | 176.2 | -55.2 | 0 | 0 | 0 | 0 | 113.5 | P176 F202 L209 V211 Y430 G431 D432 | P176-V434 HydrophobicContact CB-CG1 3.73Å; P176-V434 HydrophobicContact CG-CG1 3.54Å; F202-V434 WeakPolarHBondContact CE1-O 3.39Å; L209-V434 HydrophobicContact CD2-CB 4.23Å; L209-V434 HydrophobicContact CD2-CG1 4.1Å; L209-V434 HydrophobicContact CD2-CG2 4.21Å; L209-V434 HydrophobicContact CG-CB 4.27Å; L209-V434 HydrophobicContact CG-CG1 4.37Å; V211-V434 WeakPolarHBondContact CB-O 3.21Å; V211-V434 HydrophobicContact CG2-CG2 4.01Å; V211-V434 PolarHBondContact N-O 2.91Å; Y430-V434 VanDerWaalsContact CB-CG2 3.49Å; Y430-V434 HydrophobicContact CD2-CG2 4.45Å; Y430-V434 HydrophobicContact CG-CG1 4.13Å; Y430-V434 HydrophobicContact CG-CG2 4.26Å; G431-V434 PolarHBondContact O-N 3.2Å; D432-V434 VanDerWaalsContact C-N 3.3Å |
| 435 | V | 96.5 | Very high | 95.7 | Very high | 8 Ų | 8 | 36.3 Ų | 36.3 | 5% | 0.048 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 136.4 | -173.2 | -176.4 | 0 | 0 | 0 | 0 | 111.3 | V211 H213 I427 G431 | V211-V435 HydrophobicContact CB-CG2 4Å; V211-V435 HydrophobicContact CG1-CG2 4.15Å; V211-V435 CarbonylContact O-C 3.57Å; V211-V435 WeakPolarHBondContact O-CA 3.34Å; H213-V435 HydrophobicContact CB-CG1 4Å; I427-V435 HydrophobicContact CB-CG2 4.35Å; I427-V435 HydrophobicContact CG1-CG2 3.68Å; G431-V435 WeakPolarHBondContact O-CB 3.42Å; G431-V435 WeakPolarHBondContact O-CG2 3.49Å; G431-V435 PolarHBondContact O-N 3.07Å; G431-V435 VanDerWaalsContact O-N 3.16Å |
| 436 | R | 97.2 | Very high | 95.8 | Very high | 58 Ų | 58 | 36.1 Ų | 36.1 | 22% | 0.219 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 127.5 | 159.6 | -71.9 | -63.6 | 179.1 | -85.6 | 9.7 | 110.2 | E198 A199 F202 V211 H213 D432 | E198-R436 WeakPolarHBondContact OE1-CD 3.36Å; E198-R436 IonicContact OE1-CZ 3.77Å; E198-R436 IonicContact OE1-NE 2.78Å; E198-R436 PolarHBondContact OE1-NE 3.32Å; E198-R436 IonicContact OE1-NH2 3.18Å; A199-R436 HydrophobicContact CB-CB 3.96Å; F202-R436 HydrophobicContact CB-CG 3.89Å; F202-R436 HydrophobicContact CD1-CG 3.7Å; F202-R436 HydrophobicContact CD2-CG 4.15Å; F202-R436 HydrophobicContact CE1-CG 4.27Å; F202-R436 HydrophobicContact CG-CG 3.64Å; V211-R436 PolarHBondContact O-N 3.39Å; H213-R436 PolarHBondContact N-O 2.67Å; D432-R436 PolarHBondContact O-NH1 3.22Å |
| 437 | M | 97.5 | Very high | 95.9 | Very high | 25 Ų | 25 | 36.7 Ų | 36.7 | 12% | 0.123 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 127.8 | 179.9 | -179.1 | -179.1 | 155.4 | 0 | 0 | 109.9 | H213 P215 Y457 R460 L461 | H213-M437 HydrophobicContact CB-CB 4.18Å; H213-M437 HydrophobicContact CB-CG 4.36Å; H213-M437 CarbonylContact O-C 3.42Å; H213-M437 VanDerWaalsContact O-CA 3.31Å; H213-M437 WeakPolarHBondContact O-CA 3.36Å; P215-M437 HydrophobicContact CG-CE 3.62Å; P215-M437 HydrophobicContact CG-CG 4.09Å; P215-M437 HydrophobicContact CG-SD 4.48Å; M437-Y457 HydrophobicContact CE-CD1 4.13Å; M437-Y457 HydrophobicContact CE-CG 4.32Å; M437-R460 HydrophobicContact CE-CB 4.07Å; M437-R460 VanDerWaalsContact SD-CZ 3.59Å; M437-R460 PolarHBondContact SD-NH2 2.98Å; M437-L461 HydrophobicContact CE-CD2 3.63Å |
| 438 | L | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -76.3 | 134.7 | 172.7 | -53.1 | -180 | 0 | 0 | 0 | 109.6 | S195 Q196 A199 V212 H213 P215 T218 K220 T223 | S195-L438 WeakPolarHBondContact O-CD2 3.24Å; Q196-L438 HydrophobicContact CB-CD2 4.43Å; Q196-L438 HydrophobicContact CG-CD1 4.42Å; Q196-L438 HydrophobicContact CG-CD2 3.95Å; A199-L438 HydrophobicContact CB-CD2 3.71Å; V212-L438 HydrophobicContact CG1-CD1 4.13Å; V212-L438 HydrophobicContact CG1-CD2 4.4Å; V212-L438 HydrophobicContact CG1-CG 4.17Å; H213-L438 PolarHBondContact O-N 2.93Å; P215-L438 WeakPolarHBondContact CD-O 3.37Å; T218-L438 HydrophobicContact CG2-CB 4.27Å; T218-L438 WeakPolarHBondContact O-CD1 3.44Å; K220-L438 HydrophobicContact CB-CD1 4.34Å; T223-L438 HydrophobicContact CG2-CD2 4.25Å; T223-L438 WeakPolarHBondContact OG1-CD1 3.14Å | ||
| 439 | T | 97.9 | Very high | 96.2 | Very high | 43 Ų | 43 | 30.6 Ų | 30.6 | 26% | 0.264 | 17% | 0.172 | S | C | . | . | trans | -113 | -34.8 | -169.5 | 53.7 | 0 | 0 | 0 | 0 | 113.8 | S195 R460 L461 T462 | S195-T439 WeakPolarHBondContact CB-OG1 3.41Å; S195-T439 PolarHBondContact OG-N 3.13Å; S195-T439 VanDerWaalsContact OG-N 3.13Å; T439-R460 WeakPolarHBondContact CB-O 3.3Å; T439-L461 WeakPolarHBondContact O-CA 3.46Å; T439-T462 PolarHBondContact O-N 3.06Å | ||
| 440 | V | 98.1 | Very high | 96.4 | Very high | 26 Ų | 26 | 31.7 Ų | 31.7 | 16% | 0.158 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 126.7 | 179.3 | -173.3 | 0 | 0 | 0 | 0 | 110.2 | D193 T218 Y442 T462 H464 | D193-V440 HydrophobicContact CB-CB 4.28Å; D193-V440 HydrophobicContact CB-CG2 4.04Å; T218-V440 VanDerWaalsContact CA-O 3.24Å; T218-V440 WeakPolarHBondContact CA-O 3.5Å; V440-Y442 HydrophobicContact CB-CE2 4.15Å; V440-Y442 HydrophobicContact CG1-CE1 4.46Å; V440-Y442 HydrophobicContact CG1-CE2 3.81Å; V440-T462 WeakPolarHBondContact CA-O 3.48Å; V440-H464 HydrophobicContact CG1-CB 3.92Å |
| 441 | Q | 97.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 142.8 | 177.9 | 72.5 | 77.2 | 22.6 | 0 | 0 | 113.4 | T218 M444 M449 T462 H464 | T218-Q441 HydrophobicContact CG2-CB 4.05Å; Q441-M444 HydrophobicContact CG-CE 4.04Å; Q441-M444 PolarHBondContact NE2-O 3.33Å; Q441-M449 HydrophobicContact CG-CG 3.84Å; Q441-M449 HydrophobicContact CG-SD 3.48Å; Q441-M449 WeakPolarHBondContact CG-SD 3.38Å; Q441-M449 PolarHBondContact NE2-SD 3.25Å; Q441-M449 VanDerWaalsContact NE2-SD 3.36Å; Q441-T462 PolarHBondContact N-O 2.92Å; Q441-H464 WeakPolarHBondContact O-CB 3.26Å; Q441-H464 PolarHBondContact O-N 3.45Å |
| 442 | Y | 97.1 | Very high | 96.8 | Very high | 71 Ų | 71 | 29.5 Ų | 29.5 | 28% | 0.278 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -118.7 | 22 | -169.5 | -60.7 | -96.2 | 0 | 0 | 0 | 113.2 | D193 G217 V440 H464 V467 | D193-Y442 WeakPolarHBondContact CB-OH 3.39Å; D193-Y442 PolarHBondContact OD2-OH 3.31Å; D193-Y442 VanDerWaalsContact OD2-OH 3.11Å; G217-Y442 PolarHBondContact O-N 2.75Å; V440-Y442 HydrophobicContact CB-CE2 4.15Å; V440-Y442 HydrophobicContact CG1-CE1 4.46Å; V440-Y442 HydrophobicContact CG1-CE2 3.81Å; Y442-H464 HydrophobicContact CD1-CB 3.59Å; Y442-H464 AromaticContact CD1-CG 3.56Å; Y442-H464 AromaticContact CD1-ND1 3.79Å; Y442-H464 HydrophobicContact CE1-CB 3.7Å; Y442-H464 AromaticContact CE1-CD2 3.45Å; Y442-H464 VanDerWaalsContact CE1-CD2 3.45Å; Y442-H464 WeakPolarHBondContact CE1-CD2 3.35Å; Y442-H464 AromaticContact CE1-CG 3.34Å; Y442-H464 AromaticContact CE1-ND1 3.77Å; Y442-H464 AromaticContact CE1-NE2 3.94Å; Y442-H464 HydrophobicContact CG-CB 4.19Å; Y442-V467 WeakPolarHBondContact O-CG1 3.3Å |
| 443 | R | 96.6 | Very high | 97.1 | Very high | 23 Ų | 23 | 24.1 Ų | 24.1 | 9% | 0.087 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -116.2 | -57.5 | -173.6 | 178.3 | -175.1 | -75 | 178.6 | -4.5 | 112.9 | H470 E571 T602 R605 | R443-H470 PolarHBondContact O-CE1 3.36Å; R443-H470 PolarHBondContact O-NE2 3.35Å; R443-E571 IonicContact CZ-OE2 3.65Å; R443-E571 IonicContact NE-OE2 3.89Å; R443-E571 PolarHBondContact NE-OE2 3.48Å; R443-E571 IonicContact NH2-OE2 2.74Å; R443-E571 PolarHBondContact NH2-OE2 3.2Å; R443-T602 WeakPolarHBondContact CD-O 3.2Å; R443-T602 PolarHBondContact NH1-O 3.17Å; R443-R605 HydrophobicContact CG-CG 3.7Å; R443-R605 VanDerWaalsContact O-CA 3.26Å; R443-R605 WeakPolarHBondContact O-CA 3.33Å; R443-R605 VanDerWaalsContact O-CB 3.29Å; R443-R605 WeakPolarHBondContact O-CB 3.47Å; R443-R605 WeakPolarHBondContact O-CG 3.3Å |
| 444 | M | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -97.6 | 145.1 | -160.9 | -65.5 | 168.4 | -65.5 | 0 | 0 | 111.2 | P216 Q441 I448 M449 V467 T602 A604 R605 | P216-M444 HydrophobicContact CB-CE 4.27Å; Q441-M444 HydrophobicContact CG-CE 4.04Å; Q441-M444 PolarHBondContact NE2-O 3.33Å; M444-I448 HydrophobicContact CB-CB 4.3Å; M444-I448 HydrophobicContact CB-CG2 4.37Å; M444-I448 HydrophobicContact CG-CG2 4.25Å; M444-I448 HydrophobicContact SD-CG2 4.32Å; M444-M449 HydrophobicContact CB-CB 4.17Å; M444-M449 HydrophobicContact CE-CB 4.23Å; M444-M449 HydrophobicContact CE-CG 4.19Å; M444-V467 WeakPolarHBondContact O-CG2 3.37Å; M444-T602 HydrophobicContact SD-CG2 3.79Å; M444-A604 WeakPolarHBondContact CG-O 3.26Å; M444-R605 CarbonylContact C-O 3.59Å; M444-R605 WeakPolarHBondContact CA-O 3.46Å |
| 445 | N | 98.3 | Very high | 97.5 | Very high | 9 Ų | 9 | 31.1 Ų | 31.1 | 5% | 0.048 | 15% | 0.15 | C | C | . | . | trans | -55 | 146.4 | 159.3 | -177.1 | -74 | 0 | 0 | 0 | 109.7 | A447 I448 M449 V467 H470 P487 R605 | N445-A447 VanDerWaalsContact C-N 3.28Å; N445-A447 PolarHBondContact O-N 3.46Å; N445-A447 WeakPolarHBondContact OD1-CB 3.24Å; N445-A447 PolarHBondContact OD1-N 3.28Å; N445-I448 HydrophobicContact CB-CD1 4.07Å; N445-I448 HydrophobicContact CB-CG1 4.22Å; N445-I448 PolarHBondContact O-N 3.04Å; N445-I448 VanDerWaalsContact O-N 3.08Å; N445-M449 PolarHBondContact O-N 3.11Å; N445-V467 WeakPolarHBondContact CA-O 3.41Å; N445-H470 PolarHBondContact N-NE2 3.2Å; N445-H470 PolarHBondContact ND2-O 2.89Å; N445-P487 HydrophobicContact CB-CB 4.12Å; N445-R605 PolarHBondContact N-O 3.19Å | ||
| 446 | S | 97.8 | Very high | 97.5 | Very high | 39 Ų | 39 | 31.3 Ų | 31.3 | 27% | 0.273 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -55.6 | -41.2 | -176.8 | 57.7 | 0 | 0 | 0 | 0 | 112.7 | I448 M449 E450 E468 | S446-I448 VanDerWaalsContact C-N 3.29Å; S446-I448 PolarHBondContact O-N 3.18Å; S446-M449 WeakPolarHBondContact O-CB 3.36Å; S446-M449 PolarHBondContact O-N 3.25Å; S446-M449 VanDerWaalsContact O-N 3.16Å; S446-E450 WeakPolarHBondContact O-CB 3.34Å; S446-E450 PolarHBondContact O-N 3.12Å; S446-E468 WeakPolarHBondContact CB-O 3.42Å; S446-E468 PolarHBondContact N-O 2.59Å; S446-E468 PolarHBondContact OG-O 3.17Å; S446-E468 VanDerWaalsContact OG-O 3.11Å |
| 447 | A | 97.6 | Very high | 97.4 | Very high | 11 Ų | 11 | 28.7 Ų | 28.7 | 9% | 0.091 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.8 | -31 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | N445 P487 L488 H629 V633 | N445-A447 VanDerWaalsContact C-N 3.28Å; N445-A447 PolarHBondContact O-N 3.46Å; N445-A447 WeakPolarHBondContact OD1-CB 3.24Å; N445-A447 PolarHBondContact OD1-N 3.28Å; A447-P487 HydrophobicContact CB-CG 3.95Å; A447-L488 HydrophobicContact CB-CD1 4.01Å; A447-L488 HydrophobicContact CB-CG 4.35Å; A447-H629 PolarHBondContact O-NE2 3.44Å; A447-V633 HydrophobicContact CB-CG1 3.85Å |
| 448 | I | 97.9 | Very high | 97.3 | Very high | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -77.5 | -40.9 | 175.2 | -56.6 | 175.2 | 0 | 0 | 0 | 110.1 | M444 N445 S446 P487 L488 V601 A604 I608 | M444-I448 HydrophobicContact CB-CB 4.3Å; M444-I448 HydrophobicContact CB-CG2 4.37Å; M444-I448 HydrophobicContact CG-CG2 4.25Å; M444-I448 HydrophobicContact SD-CG2 4.32Å; N445-I448 HydrophobicContact CB-CD1 4.07Å; N445-I448 HydrophobicContact CB-CG1 4.22Å; N445-I448 PolarHBondContact O-N 3.04Å; N445-I448 VanDerWaalsContact O-N 3.08Å; S446-I448 VanDerWaalsContact C-N 3.29Å; S446-I448 PolarHBondContact O-N 3.18Å; I448-P487 HydrophobicContact CD1-CB 4.39Å; I448-P487 HydrophobicContact CG1-CB 4.32Å; I448-L488 HydrophobicContact CG1-CD2 3.86Å; I448-V601 HydrophobicContact CG2-CG1 4.14Å; I448-A604 HydrophobicContact CD1-CB 4.12Å; I448-A604 HydrophobicContact CG2-CB 4.5Å; I448-I608 HydrophobicContact CD1-CG2 4.21Å; I448-I608 HydrophobicContact CG1-CG2 4.13Å; I448-I608 HydrophobicContact CG2-CG2 4.41Å |
| 449 | M | 97.8 | Very high | 97.3 | Very high | 17 Ų | 17 | 36.3 Ų | 36.3 | 8% | 0.084 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66 | -41.6 | 179 | -179.9 | -159.1 | 74.8 | 0 | 0 | 112.2 | Q441 M444 N445 S446 W451 A452 S453 L461 A463 | Q441-M449 HydrophobicContact CG-CG 3.84Å; Q441-M449 HydrophobicContact CG-SD 3.48Å; Q441-M449 WeakPolarHBondContact CG-SD 3.38Å; Q441-M449 PolarHBondContact NE2-SD 3.25Å; Q441-M449 VanDerWaalsContact NE2-SD 3.36Å; M444-M449 HydrophobicContact CB-CB 4.17Å; M444-M449 HydrophobicContact CE-CB 4.23Å; M444-M449 HydrophobicContact CE-CG 4.19Å; N445-M449 PolarHBondContact O-N 3.11Å; S446-M449 WeakPolarHBondContact O-CB 3.36Å; S446-M449 PolarHBondContact O-N 3.25Å; S446-M449 VanDerWaalsContact O-N 3.16Å; M449-W451 PolarHBondContact O-N 3.12Å; M449-A452 PolarHBondContact O-N 3.21Å; M449-A452 VanDerWaalsContact O-N 3.15Å; M449-S453 WeakPolarHBondContact O-CB 3.2Å; M449-S453 PolarHBondContact O-N 2.76Å; M449-L461 VanDerWaalsContact CE-O 3.25Å; M449-L461 WeakPolarHBondContact CE-O 3.48Å; M449-L461 HydrophobicContact CG-CB 4.07Å; M449-L461 HydrophobicContact CG-CD1 4.46Å; M449-L461 HydrophobicContact SD-CB 3.97Å; M449-A463 HydrophobicContact CE-CB 4.2Å; M449-A463 HydrophobicContact SD-CB 3.82Å; M449-A463 PolarHBondContact SD-N 3.42Å |
| 450 | E | 97.8 | Very high | 97.2 | Very high | 103 Ų | 103 | 39.5 Ų | 39.5 | 48% | 0.481 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -57 | -48.8 | -169.7 | -177.8 | 172.7 | -161.6 | 0 | 0 | 112.8 | S446 A452 S453 K454 H629 | S446-E450 WeakPolarHBondContact O-CB 3.34Å; S446-E450 PolarHBondContact O-N 3.12Å; E450-A452 PolarHBondContact O-N 2.95Å; E450-S453 WeakPolarHBondContact O-CB 3.33Å; E450-S453 PolarHBondContact O-N 3.47Å; E450-K454 WeakPolarHBondContact O-CB 3.34Å; E450-K454 PolarHBondContact O-N 2.78Å; E450-H629 IonicContact OE2-CE1 2.74Å |
| 451 | W | 97.7 | Very high | 97.2 | Very high | 4 Ų | 4 | 38.5 Ų | 38.5 | 2% | 0.015 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -56.1 | -50.7 | 174.8 | 169.9 | 79.6 | 0 | 0 | 0 | 111.9 | M449 S453 K454 E455 I597 V601 F622 L626 H629 | M449-W451 PolarHBondContact O-N 3.12Å; W451-S453 VanDerWaalsContact C-N 3.33Å; W451-S453 PolarHBondContact O-N 3.34Å; W451-K454 PolarHBondContact O-N 2.86Å; W451-E455 WeakPolarHBondContact O-CB 3.38Å; W451-E455 WeakPolarHBondContact O-CG 3.24Å; W451-E455 PolarHBondContact O-N 3Å; W451-I597 HydrophobicContact CH2-CG2 4.03Å; W451-I597 HydrophobicContact CZ2-CG2 4.46Å; W451-V601 HydrophobicContact CE3-CB 4.22Å; W451-V601 HydrophobicContact CE3-CG1 3.79Å; W451-V601 HydrophobicContact CE3-CG2 4.35Å; W451-V601 HydrophobicContact CH2-CB 4.45Å; W451-V601 HydrophobicContact CH2-CG2 4.09Å; W451-V601 HydrophobicContact CZ3-CB 3.65Å; W451-V601 HydrophobicContact CZ3-CG1 3.77Å; W451-V601 HydrophobicContact CZ3-CG2 3.72Å; W451-F622 AromaticContact CH2-CE1 3.53Å; W451-F622 HydrophobicContact CH2-CE1 3.53Å; W451-F622 AromaticContact CH2-CZ 3.52Å; W451-F622 HydrophobicContact CH2-CZ 3.52Å; W451-F622 HydrophobicContact CZ2-CD1 4.18Å; W451-F622 AromaticContact CZ2-CE1 3.39Å; W451-F622 HydrophobicContact CZ2-CE1 3.39Å; W451-F622 HydrophobicContact CZ2-CE2 4.21Å; W451-F622 AromaticContact CZ2-CZ 3.4Å; W451-F622 HydrophobicContact CZ2-CZ 3.4Å; W451-F622 VanDerWaalsContact CZ2-CZ 3.4Å; W451-L626 HydrophobicContact CD2-CD1 3.74Å; W451-L626 HydrophobicContact CE3-CD1 4.13Å; W451-L626 HydrophobicContact CG-CD1 4.15Å; W451-L626 HydrophobicContact CH2-CD1 4.44Å; W451-L626 HydrophobicContact CZ2-CB 3.83Å; W451-L626 HydrophobicContact CZ2-CD1 4.06Å; W451-L626 HydrophobicContact CZ2-CD2 4.41Å; W451-L626 HydrophobicContact CZ2-CG 4.31Å; W451-L626 HydrophobicContact CZ3-CD1 4.48Å; W451-L626 VanDerWaalsContact NE1-CA 3.28Å; W451-H629 HydrophobicContact CB-CB 4.44Å; W451-H629 HydrophobicContact CG-CB 4.49Å |
| 452 | A | 97 | Very high | 97.2 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.8 | -41.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111 | M449 E450 M456 Y457 T602 | M449-A452 PolarHBondContact O-N 3.21Å; M449-A452 VanDerWaalsContact O-N 3.15Å; E450-A452 PolarHBondContact O-N 2.95Å; A452-M456 WeakPolarHBondContact O-CB 3.43Å; A452-M456 PolarHBondContact O-N 3.47Å; A452-Y457 HydrophobicContact CB-CE2 4.5Å; A452-Y457 VanDerWaalsContact O-CD2 3.22Å; A452-Y457 WeakPolarHBondContact O-CD2 3.42Å; A452-T602 HydrophobicContact CB-CG2 3.75Å |
| 453 | S | 97.8 | Very high | 97.2 | Very high | 6 Ų | 6 | 39.9 Ų | 39.9 | 4% | 0.042 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -55.9 | -53.8 | 176.9 | -168.6 | 0 | 0 | 0 | 0 | 110.9 | M449 E450 W451 Y457 H458 G459 R460 L461 | M449-S453 WeakPolarHBondContact O-CB 3.2Å; M449-S453 PolarHBondContact O-N 2.76Å; E450-S453 WeakPolarHBondContact O-CB 3.33Å; E450-S453 PolarHBondContact O-N 3.47Å; W451-S453 VanDerWaalsContact C-N 3.33Å; W451-S453 PolarHBondContact O-N 3.34Å; S453-Y457 CarbonylContact O-C 3.44Å; S453-Y457 WeakPolarHBondContact O-CA 3.33Å; S453-Y457 PolarHBondContact O-N 3.4Å; S453-H458 PolarHBondContact O-N 3.19Å; S453-G459 PolarHBondContact O-N 3.35Å; S453-G459 WeakPolarHBondContact OG-CA 3.37Å; S453-G459 PolarHBondContact OG-O 3.18Å; S453-R460 PolarHBondContact OG-N 2.98Å; S453-L461 WeakPolarHBondContact OG-CB 3.39Å; S453-L461 PolarHBondContact OG-N 2.98Å; S453-L461 PolarHBondContact OG-O 3.32Å |
| 454 | K | 97.3 | Very high | 97.3 | Very high | 136 Ų | 136 | 41.8 Ų | 41.8 | 59% | 0.591 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -60.5 | -55.6 | -179.5 | -175.6 | 179.2 | 178.4 | -179.6 | 0 | 112 | E450 W451 | E450-K454 WeakPolarHBondContact O-CB 3.34Å; E450-K454 PolarHBondContact O-N 2.78Å; W451-K454 PolarHBondContact O-N 2.86Å |
| 455 | E | 96.4 | Very high | 97.2 | Very high | 72 Ų | 72 | 46.2 Ų | 46.2 | 34% | 0.336 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -79.8 | -30.8 | -168.8 | -58.1 | -70.7 | 114.1 | 0 | 0 | 113.6 | W451 F622 S625 | W451-E455 WeakPolarHBondContact O-CB 3.38Å; W451-E455 WeakPolarHBondContact O-CG 3.24Å; W451-E455 PolarHBondContact O-N 3Å; E455-F622 HydrophobicContact CB-CD2 4.34Å; E455-F622 HydrophobicContact CB-CE2 3.67Å; E455-F622 HydrophobicContact CB-CZ 4.43Å; E455-S625 VanDerWaalsContact CD-OG 3.3Å; E455-S625 WeakPolarHBondContact OE2-CB 3.34Å; E455-S625 PolarHBondContact OE2-OG 2.87Å |
| 456 | M | 96 | Very high | 97.1 | Very high | 13 Ų | 13 | 49.6 Ų | 49.6 | 6% | 0.064 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -110.5 | -30.6 | -174.7 | -78.9 | -84.1 | 169.9 | 0 | 0 | 114.6 | K402 A452 D594 N598 F622 | K402-M456 HydrophobicContact CB-SD 4Å; K402-M456 WeakPolarHBondContact CD-O 3.29Å; K402-M456 HydrophobicContact CD-SD 4.07Å; K402-M456 WeakPolarHBondContact CE-O 3.48Å; K402-M456 PolarHBondContact NZ-O 3.32Å; A452-M456 WeakPolarHBondContact O-CB 3.43Å; A452-M456 PolarHBondContact O-N 3.47Å; M456-D594 VanDerWaalsContact CE-C 3.49Å; M456-D594 HydrophobicContact CE-CB 3.32Å; M456-N598 HydrophobicContact CE-CB 4.03Å; M456-N598 HydrophobicContact CG-CB 3.93Å; M456-N598 HydrophobicContact SD-CB 4.22Å; M456-F622 HydrophobicContact CE-CD2 4.41Å; M456-F622 HydrophobicContact CE-CE1 4.26Å; M456-F622 HydrophobicContact CE-CE2 3.53Å; M456-F622 HydrophobicContact CE-CZ 3.46Å; M456-F622 VanDerWaalsContact CE-CZ 3.46Å; M456-F622 HydrophobicContact CG-CE2 4.11Å; M456-F622 HydrophobicContact CG-CZ 4.05Å |
| 457 | Y | 96.6 | Very high | 97.1 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.008 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -122.9 | 15.3 | -168 | -53.1 | -78.4 | 0 | 0 | 0 | 114.2 | P215 P216 D400 K402 M437 A452 S453 G459 R460 L461 N598 | P215-Y457 HydrophobicContact CB-CD1 4.03Å; P215-Y457 HydrophobicContact CB-CE1 3.79Å; P215-Y457 HydrophobicContact CG-CD1 3.92Å; P215-Y457 HydrophobicContact CG-CE1 4.01Å; P216-Y457 WeakPolarHBondContact CD-OH 3.14Å; D400-Y457 PolarHBondContact OD2-OH 3.44Å; K402-Y457 HydrophobicContact CB-CD1 4.44Å; K402-Y457 HydrophobicContact CB-CE1 3.62Å; K402-Y457 HydrophobicContact CG-CD1 4.18Å; K402-Y457 HydrophobicContact CG-CE1 3.81Å; M437-Y457 HydrophobicContact CE-CD1 4.13Å; M437-Y457 HydrophobicContact CE-CG 4.32Å; A452-Y457 HydrophobicContact CB-CE2 4.5Å; A452-Y457 VanDerWaalsContact O-CD2 3.22Å; A452-Y457 WeakPolarHBondContact O-CD2 3.42Å; S453-Y457 CarbonylContact O-C 3.44Å; S453-Y457 WeakPolarHBondContact O-CA 3.33Å; S453-Y457 PolarHBondContact O-N 3.4Å; Y457-G459 VanDerWaalsContact C-N 3.32Å; Y457-G459 PolarHBondContact O-N 2.82Å; Y457-R460 WeakPolarHBondContact O-CB 3.23Å; Y457-R460 PolarHBondContact O-N 3.14Å; Y457-L461 HydrophobicContact CD2-CD1 3.55Å; Y457-L461 HydrophobicContact CD2-CG 4.16Å; Y457-L461 HydrophobicContact CE2-CD1 4.07Å; Y457-L461 HydrophobicContact CG-CD1 4.03Å; Y457-L461 HydrophobicContact CG-CD2 4.37Å; Y457-L461 HydrophobicContact CG-CG 4.18Å; Y457-N598 PolarHBondContact OH-ND2 2.9Å |
| 458 | H | 95.3 | Very high | 97 | Very high | 135 Ų | 135 | 50.6 Ų | 50.6 | 63% | 0.625 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | 34.8 | 176.3 | -50.4 | -80.9 | 0 | 0 | 0 | 114.1 | S453 R460 | S453-H458 PolarHBondContact O-N 3.19Å; H458-R460 PolarHBondContact O-N 3.12Å |
| 459 | G | 96.6 | Very high | 97 | Very high | 50 Ų | 50 | 57.4 Ų | 57.4 | 52% | 0.515 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | 4.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | S453 Y457 L461 | S453-G459 PolarHBondContact O-N 3.35Å; S453-G459 WeakPolarHBondContact OG-CA 3.37Å; S453-G459 PolarHBondContact OG-O 3.18Å; Y457-G459 VanDerWaalsContact C-N 3.32Å; Y457-G459 PolarHBondContact O-N 2.82Å; G459-L461 PolarHBondContact O-N 3.4Å |
| 460 | R | 96.7 | Very high | 97 | Very high | 110 Ų | 110 | 57.1 Ų | 57.1 | 42% | 0.415 | 30% | 0.301 | S | S | . | . | trans | -81.4 | -4.6 | -170.6 | -61.5 | -170.3 | -68.9 | -177.2 | -1.1 | 115.8 | M437 T439 S453 Y457 H458 | M437-R460 HydrophobicContact CE-CB 4.07Å; M437-R460 VanDerWaalsContact SD-CZ 3.59Å; M437-R460 PolarHBondContact SD-NH2 2.98Å; T439-R460 WeakPolarHBondContact CB-O 3.3Å; S453-R460 PolarHBondContact OG-N 2.98Å; Y457-R460 WeakPolarHBondContact O-CB 3.23Å; Y457-R460 PolarHBondContact O-N 3.14Å; H458-R460 PolarHBondContact O-N 3.12Å | ||
| 461 | L | 97.9 | Very high | 97 | Very high | 6 Ų | 6 | 53.3 Ų | 53.3 | 3% | 0.031 | 28% | 0.284 | C | S | . | . | trans | -85.5 | 135.4 | 177.3 | -52 | -176.8 | 0 | 0 | 0 | 111.7 | P215 T218 M437 T439 M449 S453 Y457 G459 | P215-L461 HydrophobicContact CB-CD1 4.24Å; P215-L461 HydrophobicContact CB-CD2 3.64Å; P215-L461 HydrophobicContact CG-CD2 3.71Å; T218-L461 HydrophobicContact CG2-CD2 4.39Å; M437-L461 HydrophobicContact CE-CD2 3.63Å; T439-L461 WeakPolarHBondContact O-CA 3.46Å; M449-L461 VanDerWaalsContact CE-O 3.25Å; M449-L461 WeakPolarHBondContact CE-O 3.48Å; M449-L461 HydrophobicContact CG-CB 4.07Å; M449-L461 HydrophobicContact CG-CD1 4.46Å; M449-L461 HydrophobicContact SD-CB 3.97Å; S453-L461 WeakPolarHBondContact OG-CB 3.39Å; S453-L461 PolarHBondContact OG-N 2.98Å; S453-L461 PolarHBondContact OG-O 3.32Å; Y457-L461 HydrophobicContact CD2-CD1 3.55Å; Y457-L461 HydrophobicContact CD2-CG 4.16Å; Y457-L461 HydrophobicContact CE2-CD1 4.07Å; Y457-L461 HydrophobicContact CG-CD1 4.03Å; Y457-L461 HydrophobicContact CG-CD2 4.37Å; Y457-L461 HydrophobicContact CG-CG 4.18Å; G459-L461 PolarHBondContact O-N 3.4Å | ||
| 462 | T | 97.9 | Very high | 97 | Very high | 75 Ų | 75 | 53.1 Ų | 53.1 | 46% | 0.46 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 141.6 | 174.2 | 57.9 | 0 | 0 | 0 | 0 | 110.6 | T439 V440 Q441 | T439-T462 PolarHBondContact O-N 3.06Å; V440-T462 WeakPolarHBondContact CA-O 3.48Å; Q441-T462 PolarHBondContact N-O 2.92Å |
| 463 | A | 97.6 | Very high | 96.9 | Very high | 25 Ų | 25 | 56.9 Ų | 56.9 | 21% | 0.207 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 129.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | M449 E468 | M449-A463 HydrophobicContact CE-CB 4.2Å; M449-A463 HydrophobicContact SD-CB 3.82Å; M449-A463 PolarHBondContact SD-N 3.42Å; A463-E468 HydrophobicContact CB-CB 4.14Å; A463-E468 HydrophobicContact CB-CG 4.23Å |
| 464 | H | 98 | Very high | 96.8 | Very high | 62 Ų | 62 | 60.8 Ų | 60.8 | 29% | 0.287 | 32% | 0.32 | S | S | . | . | trans | -64.4 | 144.8 | 170.6 | -173 | -102.4 | 0 | 0 | 0 | 110.4 | V440 Q441 Y442 S466 V467 E468 | V440-H464 HydrophobicContact CG1-CB 3.92Å; Q441-H464 WeakPolarHBondContact O-CB 3.26Å; Q441-H464 PolarHBondContact O-N 3.45Å; Y442-H464 HydrophobicContact CD1-CB 3.59Å; Y442-H464 AromaticContact CD1-CG 3.56Å; Y442-H464 AromaticContact CD1-ND1 3.79Å; Y442-H464 HydrophobicContact CE1-CB 3.7Å; Y442-H464 AromaticContact CE1-CD2 3.45Å; Y442-H464 VanDerWaalsContact CE1-CD2 3.45Å; Y442-H464 WeakPolarHBondContact CE1-CD2 3.35Å; Y442-H464 AromaticContact CE1-CG 3.34Å; Y442-H464 AromaticContact CE1-ND1 3.77Å; Y442-H464 AromaticContact CE1-NE2 3.94Å; Y442-H464 HydrophobicContact CG-CB 4.19Å; H464-S466 WeakPolarHBondContact ND1-CB 3.41Å; H464-S466 PolarHBondContact ND1-N 3.08Å; H464-S466 PolarHBondContact ND1-OG 3.32Å; H464-S466 PolarHBondContact O-N 3.39Å; H464-V467 HydrophobicContact CB-CG2 4.4Å; H464-V467 WeakPolarHBondContact O-CG2 3.47Å; H464-V467 PolarHBondContact O-N 3.12Å; H464-E468 PolarHBondContact O-N 3.25Å | ||
| 465 | S | 96.6 | Very high | 96.8 | Very high | 94 Ų | 94 | 55.6 Ų | 55.6 | 66% | 0.657 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -28.1 | -175.7 | 57.9 | 0 | 0 | 0 | 0 | 114 | V467 | S465-V467 VanDerWaalsContact C-N 3.27Å; S465-V467 PolarHBondContact O-N 3.03Å |
| 466 | S | 95.9 | Very high | 96.6 | Very high | 80 Ų | 80 | 57.3 Ų | 57.3 | 56% | 0.559 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -15.6 | 176.4 | 66.9 | 0 | 0 | 0 | 0 | 115.2 | H464 | H464-S466 WeakPolarHBondContact ND1-CB 3.41Å; H464-S466 PolarHBondContact ND1-N 3.08Å; H464-S466 PolarHBondContact ND1-OG 3.32Å; H464-S466 PolarHBondContact O-N 3.39Å |
| 467 | V | 96.9 | Very high | 96.5 | Very high | 4 Ų | 4 | 60.1 Ų | 60.1 | 2% | 0.024 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.2 | -19.2 | 179.3 | -64.1 | 0 | 0 | 0 | 0 | 114 | Y442 M444 N445 H464 S465 K469 H470 | Y442-V467 WeakPolarHBondContact O-CG1 3.3Å; M444-V467 WeakPolarHBondContact O-CG2 3.37Å; N445-V467 WeakPolarHBondContact CA-O 3.41Å; H464-V467 HydrophobicContact CB-CG2 4.4Å; H464-V467 WeakPolarHBondContact O-CG2 3.47Å; H464-V467 PolarHBondContact O-N 3.12Å; S465-V467 VanDerWaalsContact C-N 3.27Å; S465-V467 PolarHBondContact O-N 3.03Å; V467-K469 PolarHBondContact O-N 2.89Å; V467-H470 PolarHBondContact O-CD2 2.97Å; V467-H470 PolarHBondContact O-N 3.3Å; V467-H470 PolarHBondContact O-NE2 2.96Å |
| 468 | E | 96.5 | Very high | 96.5 | Very high | 67 Ų | 67 | 61 Ų | 61 | 31% | 0.313 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -42.3 | -49.5 | -176.5 | -168.8 | -151.2 | 161.4 | 0 | 0 | 113.1 | S446 A463 H464 | S446-E468 WeakPolarHBondContact CB-O 3.42Å; S446-E468 PolarHBondContact N-O 2.59Å; S446-E468 PolarHBondContact OG-O 3.17Å; S446-E468 VanDerWaalsContact OG-O 3.11Å; A463-E468 HydrophobicContact CB-CB 4.14Å; A463-E468 HydrophobicContact CB-CG 4.23Å; H464-E468 PolarHBondContact O-N 3.25Å |
| 469 | K | 96.9 | Very high | 96.4 | Very high | 144 Ų | 144 | 57 Ų | 57 | 63% | 0.626 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114 | 9.6 | -172.1 | -64.2 | 178.9 | 175.2 | 97.8 | 0 | 114.6 | V467 | V467-K469 PolarHBondContact O-N 2.89Š|
| 470 | H | 97.6 | Very high | 96.3 | Very high | 12 Ų | 12 | 59.1 Ų | 59.1 | 6% | 0.056 | 35% | 0.349 | C | S | . | . | trans | -73 | 139.7 | -172.8 | 76.4 | 163.6 | 0 | 0 | 0 | 113 | R443 N445 V467 R605 R606 | R443-H470 PolarHBondContact O-CE1 3.36Å; R443-H470 PolarHBondContact O-NE2 3.35Å; N445-H470 PolarHBondContact N-NE2 3.2Å; N445-H470 PolarHBondContact ND2-O 2.89Å; V467-H470 PolarHBondContact O-CD2 2.97Å; V467-H470 PolarHBondContact O-N 3.3Å; V467-H470 PolarHBondContact O-NE2 2.96Å; H470-R605 PolarHBondContact NE2-O 2.86Å; H470-R606 HydrophobicContact CB-CG 4.44Å | ||
| 471 | L | 97.7 | Very high | 96.2 | Very high | 23 Ų | 23 | 56.3 Ų | 56.3 | 12% | 0.12 | 34% | 0.344 | C | S | . | . | trans | -133 | 166.4 | -175.2 | -67.7 | 170 | 0 | 0 | 0 | 110.8 | K473 D474 S485 P487 R606 | L471-K473 VanDerWaalsContact C-N 3.32Å; L471-K473 HydrophobicContact CB-CG 4.12Å; L471-K473 PolarHBondContact O-N 3.15Å; L471-D474 PolarHBondContact N-OD2 2.74Å; L471-D474 PolarHBondContact O-N 3.38Å; L471-S485 WeakPolarHBondContact CD1-O 3.43Å; L471-P487 HydrophobicContact CD2-CB 3.91Å; L471-P487 HydrophobicContact CD2-CG 4.17Å; L471-R606 WeakPolarHBondContact O-CD 3.35Å; L471-R606 PolarHBondContact O-NH1 3.04Å | ||
| 472 | L | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -65.3 | -35.4 | -178.9 | -72.9 | 176.7 | 0 | 0 | 0 | 112.5 | D474 L475 V478 T484 L525 V530 E573 A574 R606 H607 | L472-D474 PolarHBondContact O-N 2.94Å; L472-D474 VanDerWaalsContact O-N 3.14Å; L472-L475 HydrophobicContact CD2-CD1 3.86Å; L472-L475 VanDerWaalsContact O-CB 3.3Å; L472-L475 WeakPolarHBondContact O-CB 3.26Å; L472-L475 PolarHBondContact O-N 2.82Å; L472-V478 WeakPolarHBondContact O-CB 3.32Å; L472-V478 WeakPolarHBondContact O-CG1 3.21Å; L472-T484 HydrophobicContact CB-CG2 4.24Å; L472-T484 PolarHBondContact N-O 2.58Å; L472-L525 HydrophobicContact CD1-CD2 3.85Å; L472-V530 HydrophobicContact CD1-CG2 4.37Å; L472-E573 HydrophobicContact CD2-CB 4.09Å; L472-A574 HydrophobicContact CD1-CB 4.12Å; L472-A574 HydrophobicContact CD2-CB 4.07Å; L472-R606 HydrophobicContact CD2-CB 3.95Å; L472-R606 HydrophobicContact CG-CB 4.17Å; L472-H607 HydrophobicContact CD1-CB 3.41Å; L472-H607 VanDerWaalsContact CD1-CB 3.41Å; L472-H607 HydrophobicContact CD2-CB 4.32Å; L472-H607 HydrophobicContact CG-CB 3.63Å |
| 473 | K | 96 | Very high | 95.5 | Very high | 79 Ų | 79 | 59.5 Ų | 59.5 | 34% | 0.343 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -59.9 | -19.6 | 176.3 | 69.3 | -177.5 | 179.7 | -170.1 | 0 | 114.3 | L471 L475 C480 T484 | L471-K473 VanDerWaalsContact C-N 3.32Å; L471-K473 HydrophobicContact CB-CG 4.12Å; L471-K473 PolarHBondContact O-N 3.15Å; K473-L475 VanDerWaalsContact C-N 3.26Å; K473-C480 HydrophobicContact CB-CB 4.4Å; K473-T484 PolarHBondContact N-O 3.43Å; K473-T484 VanDerWaalsContact N-O 3.1Å |
| 474 | D | 95.9 | Very high | 95.3 | Very high | 88 Ų | 88 | 58.3 Ų | 58.3 | 47% | 0.471 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -83.4 | -4.2 | 177.9 | -38.4 | -39.1 | 0 | 0 | 0 | 112.2 | L471 L472 R606 | L471-D474 PolarHBondContact N-OD2 2.74Å; L471-D474 PolarHBondContact O-N 3.38Å; L472-D474 PolarHBondContact O-N 2.94Å; L472-D474 VanDerWaalsContact O-N 3.14Å; D474-R606 IonicContact OD2-NH1 2.77Å |
| 475 | L | 95.6 | Very high | 95.2 | Very high | 27 Ų | 27 | 57.3 Ų | 57.3 | 14% | 0.141 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -77.2 | 142.2 | 175.1 | -69.7 | 171.2 | 0 | 0 | 0 | 111.1 | L472 K473 G477 V478 E573 | L472-L475 HydrophobicContact CD2-CD1 3.86Å; L472-L475 VanDerWaalsContact O-CB 3.3Å; L472-L475 WeakPolarHBondContact O-CB 3.26Å; L472-L475 PolarHBondContact O-N 2.82Å; K473-L475 VanDerWaalsContact C-N 3.26Å; L475-G477 PolarHBondContact O-N 3.05Å; L475-G477 VanDerWaalsContact O-N 3.12Å; L475-V478 HydrophobicContact CB-CB 4.34Å; L475-V478 HydrophobicContact CB-CG2 3.66Å; L475-V478 PolarHBondContact O-N 3.39Å; L475-V478 VanDerWaalsContact O-N 3.12Å; L475-E573 HydrophobicContact CD1-CB 3.96Å; L475-E573 HydrophobicContact CD1-CG 4.02Å; L475-E573 HydrophobicContact CD2-CG 4.34Å |
| 476 | P | 94.1 | Very high | 95.1 | Very high | 107 Ų | 107 | 53.6 Ų | 53.6 | 70% | 0.695 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | 116.1 | -175.9 | 26.3 | -34.7 | 0 | 0 | 0 | 111.7 | ||
| 477 | G | 92.3 | Very high | 95.2 | Very high | 72 Ų | 72 | 50.8 Ų | 50.8 | 74% | 0.742 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.2 | 7.5 | 180 | 0 | 0 | 0 | 0 | 0 | 115.1 | L475 | L475-G477 PolarHBondContact O-N 3.05Å; L475-G477 VanDerWaalsContact O-N 3.12Å |
| 478 | V | 96.3 | Very high | 95.2 | Very high | 20 Ų | 20 | 50.8 Ų | 50.8 | 12% | 0.121 | 30% | 0.297 | C | S | . | . | trans | -91.5 | 131.9 | 174.1 | -178.5 | 0 | 0 | 0 | 0 | 110.4 | L472 L475 T484 A528 V530 | L472-V478 WeakPolarHBondContact O-CB 3.32Å; L472-V478 WeakPolarHBondContact O-CG1 3.21Å; L475-V478 HydrophobicContact CB-CB 4.34Å; L475-V478 HydrophobicContact CB-CG2 3.66Å; L475-V478 PolarHBondContact O-N 3.39Å; L475-V478 VanDerWaalsContact O-N 3.12Å; V478-T484 HydrophobicContact CG1-CG2 3.62Å; V478-A528 CarbonylContact C-O 3.59Å; V478-A528 WeakPolarHBondContact CA-O 3.49Å; V478-V530 HydrophobicContact CG1-CG2 3.84Å; V478-V530 HydrophobicContact CG2-CG2 3.95Å | ||
| 479 | A | 95.1 | Very high | 95.3 | Very high | 51 Ų | 51 | 47.6 Ų | 47.6 | 42% | 0.421 | 28% | 0.282 | S | S | . | . | trans | -78.4 | 144.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | V481 T484 A528 | A479-V481 PolarHBondContact O-N 3.17Å; A479-T484 PolarHBondContact O-OG1 3.36Å; A479-A528 PolarHBondContact N-O 3.45Å | ||
| 480 | C | 94.3 | Very high | 95.3 | Very high | 95 Ų | 95 | 40.9 Ų | 40.9 | 64% | 0.642 | 25% | 0.253 | S | S | * | . | trans | -78.1 | 84.7 | 176.4 | -173.7 | 0 | 0 | 0 | 0 | 111.1 | K473 | K473-C480 HydrophobicContact CB-CB 4.4Š| ||
| 481 | V | 93.5 | Very high | 95.3 | Very high | 52 Ų | 52 | 40.3 Ų | 40.3 | 32% | 0.315 | 25% | 0.25 | S | S | . | . | trans | -106.8 | 170.5 | 169.7 | -59 | 0 | 0 | 0 | 0 | 110.9 | A479 E483 T484 S485 A528 | A479-V481 PolarHBondContact O-N 3.17Å; V481-E483 HydrophobicContact CG2-CB 4.44Å; V481-E483 WeakPolarHBondContact CG2-OE2 3.47Å; V481-E483 PolarHBondContact O-N 2.9Å; V481-T484 HydrophobicContact CG2-CG2 3.61Å; V481-T484 WeakPolarHBondContact CG2-OG1 3.43Å; V481-T484 PolarHBondContact N-OG1 2.98Å; V481-T484 PolarHBondContact O-N 2.92Å; V481-T484 PolarHBondContact O-OG1 3.08Å; V481-S485 WeakPolarHBondContact O-CB 3.29Å; V481-S485 PolarHBondContact O-N 3.39Å; V481-S485 VanDerWaalsContact O-N 3.1Å; V481-S485 PolarHBondContact O-OG 3.42Å; V481-A528 HydrophobicContact CG2-CB 3.7Å | ||
| 482 | E | 90.8 | Very high | 95.3 | Very high | 122 Ų | 122 | 40.6 Ų | 40.6 | 57% | 0.57 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -53.9 | -52.4 | -179.1 | -63.6 | 174.2 | 169.4 | 0 | 0 | 111.3 | T484 S485 T486 R637 | E482-T484 PolarHBondContact O-N 3.31Å; E482-T484 VanDerWaalsContact O-N 3.11Å; E482-S485 PolarHBondContact O-N 3.41Å; E482-T486 PolarHBondContact O-N 3.34Å; E482-R637 VanDerWaalsContact CB-NH2 3.31Å; E482-R637 IonicContact OE2-CZ 3.8Å; E482-R637 IonicContact OE2-NH2 2.76Å; E482-R637 PolarHBondContact OE2-NH2 3.07Å |
| 483 | E | 90.3 | Very high | 95.2 | Very high | 26 Ų | 26 | 40.7 Ų | 40.7 | 12% | 0.121 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.8 | -30.8 | -178.8 | -62.4 | 79.8 | -177 | 0 | 0 | 113.3 | V481 L525 H607 R637 | V481-E483 HydrophobicContact CG2-CB 4.44Å; V481-E483 WeakPolarHBondContact CG2-OE2 3.47Å; V481-E483 PolarHBondContact O-N 2.9Å; E483-L525 HydrophobicContact CB-CD2 4.01Å; E483-H607 PolarHBondContact O-CE1 2.93Å; E483-H607 VanDerWaalsContact O-CE1 3.25Å; E483-H607 PolarHBondContact O-ND1 3.06Å; E483-R637 IonicContact OE1-CZ 3.52Å; E483-R637 IonicContact OE1-NH1 3.48Å; E483-R637 PolarHBondContact OE1-NH1 3.27Å; E483-R637 IonicContact OE1-NH2 3.13Å |
| 484 | T | 94.6 | Very high | 95 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -89.4 | -10.9 | -179.6 | 62 | 0 | 0 | 0 | 0 | 113.9 | L472 K473 V478 A479 V481 E482 A528 V530 | L472-T484 HydrophobicContact CB-CG2 4.24Å; L472-T484 PolarHBondContact N-O 2.58Å; K473-T484 PolarHBondContact N-O 3.43Å; K473-T484 VanDerWaalsContact N-O 3.1Å; V478-T484 HydrophobicContact CG1-CG2 3.62Å; A479-T484 PolarHBondContact O-OG1 3.36Å; V481-T484 HydrophobicContact CG2-CG2 3.61Å; V481-T484 WeakPolarHBondContact CG2-OG1 3.43Å; V481-T484 PolarHBondContact N-OG1 2.98Å; V481-T484 PolarHBondContact O-N 2.92Å; V481-T484 PolarHBondContact O-OG1 3.08Å; E482-T484 PolarHBondContact O-N 3.31Å; E482-T484 VanDerWaalsContact O-N 3.11Å; T484-A528 HydrophobicContact CG2-CB 3.93Å; T484-V530 HydrophobicContact CG2-CG2 4.37Å |
| 485 | S | 95.2 | Very high | 94.5 | Very high | 40 Ų | 40 | 36.7 Ų | 36.7 | 28% | 0.28 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -98.4 | -14 | -176.6 | -61.4 | 0 | 0 | 0 | 0 | 113.2 | L471 V481 E482 | L471-S485 WeakPolarHBondContact CD1-O 3.43Å; V481-S485 WeakPolarHBondContact O-CB 3.29Å; V481-S485 PolarHBondContact O-N 3.39Å; V481-S485 VanDerWaalsContact O-N 3.1Å; V481-S485 PolarHBondContact O-OG 3.42Å; E482-S485 PolarHBondContact O-N 3.41Å |
| 486 | T | 94.8 | Very high | 94.1 | Very high | 17 Ų | 17 | 35.8 Ų | 35.8 | 10% | 0.104 | 25% | 0.249 | C | C | . | . | trans | -104.4 | 139.5 | 174.5 | -177.9 | 0 | 0 | 0 | 0 | 112.3 | E482 L488 L489 H607 E635 | E482-T486 PolarHBondContact O-N 3.34Å; T486-L488 PolarHBondContact OG1-N 3.42Å; T486-L488 PolarHBondContact OG1-O 3.41Å; T486-L489 HydrophobicContact CG2-CB 4.36Å; T486-H607 PolarHBondContact O-ND1 3.05Å; T486-E635 HydrophobicContact CG2-CB 4.36Å | ||
| 487 | P | 96.8 | Very high | 93.6 | Very high | 21 Ų | 21 | 33.7 Ų | 33.7 | 14% | 0.136 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -83 | -20.2 | 171.4 | 33.6 | -32.9 | 0 | 0 | 0 | 113.4 | N445 A447 I448 L471 R606 H607 I608 | N445-P487 HydrophobicContact CB-CB 4.12Å; A447-P487 HydrophobicContact CB-CG 3.95Å; I448-P487 HydrophobicContact CD1-CB 4.39Å; I448-P487 HydrophobicContact CG1-CB 4.32Å; L471-P487 HydrophobicContact CD2-CB 3.91Å; L471-P487 HydrophobicContact CD2-CG 4.17Å; P487-R606 WeakPolarHBondContact CA-O 3.42Å; P487-H607 WeakPolarHBondContact O-CA 3.18Å; P487-I608 PolarHBondContact O-N 3.49Å |
| 488 | L | 98 | Very high | 93.4 | Very high | 4 Ų | 4 | 31.5 Ų | 31.5 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 122.3 | -175 | -65.8 | 177.7 | 0 | 0 | 0 | 109.7 | A447 I448 T486 I608 M630 V633 E635 | A447-L488 HydrophobicContact CB-CD1 4.01Å; A447-L488 HydrophobicContact CB-CG 4.35Å; I448-L488 HydrophobicContact CG1-CD2 3.86Å; T486-L488 PolarHBondContact OG1-N 3.42Å; T486-L488 PolarHBondContact OG1-O 3.41Å; L488-I608 HydrophobicContact CD2-CG2 3.54Å; L488-M630 HydrophobicContact CB-CE 4.28Å; L488-M630 HydrophobicContact CD2-CE 4.44Å; L488-V633 HydrophobicContact CD1-CB 4.13Å; L488-V633 HydrophobicContact CD1-CG1 4.14Å; L488-E635 PolarHBondContact O-N 3.32Å |
| 489 | L | 98 | Very high | 93 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 117.6 | 175.5 | 178 | 65.8 | 0 | 0 | 0 | 110.9 | T486 I491 H521 I608 A609 V610 M630 E635 R637 | T486-L489 HydrophobicContact CG2-CB 4.36Å; L489-I491 HydrophobicContact CD2-CD1 4.08Å; L489-I491 HydrophobicContact CD2-CG1 4.17Å; L489-I491 HydrophobicContact CG-CD1 4.47Å; L489-I491 HydrophobicContact CG-CG1 4.03Å; L489-H521 WeakPolarHBondContact CD2-CE1 3.39Å; L489-I608 PolarHBondContact N-O 2.74Å; L489-A609 HydrophobicContact CB-CB 4.24Å; L489-A609 HydrophobicContact CD2-CB 4.25Å; L489-A609 CarbonylContact O-C 3.54Å; L489-A609 WeakPolarHBondContact O-CA 3.28Å; L489-V610 PolarHBondContact O-N 3.41Å; L489-M630 VanDerWaalsContact C-CE 3.4Å; L489-M630 VanDerWaalsContact O-CE 3.23Å; L489-M630 WeakPolarHBondContact O-CE 3.42Å; L489-E635 CarbonylContact C-O 3.58Å; L489-E635 WeakPolarHBondContact CA-O 3.48Å; L489-E635 HydrophobicContact CD1-CB 3.98Å; L489-E635 HydrophobicContact CD1-CG 4.12Å; L489-R637 HydrophobicContact CD1-CG 4.02Å |
| 490 | L | 98.1 | Very high | 92.6 | Very high | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 123.9 | 171.3 | 179.9 | 64 | 0 | 0 | 0 | 109.1 | V610 T614 V627 M630 E635 V636 R637 | L490-V610 HydrophobicContact CD1-CB 4.29Å; L490-V610 HydrophobicContact CD1-CG1 4.36Å; L490-T614 HydrophobicContact CD2-CG2 4.21Å; L490-V627 HydrophobicContact CD2-CG1 4.04Å; L490-M630 HydrophobicContact CB-CB 4.23Å; L490-M630 HydrophobicContact CB-CE 4.27Å; L490-E635 PolarHBondContact N-O 3.25Å; L490-V636 HydrophobicContact CB-CG1 4.38Å; L490-V636 HydrophobicContact CB-CG2 4.24Å; L490-V636 HydrophobicContact CD2-CG1 4.13Å; L490-V636 HydrophobicContact CD2-CG2 4.26Å; L490-V636 HydrophobicContact CG-CG1 4.35Å; L490-V636 WeakPolarHBondContact O-CA 3.27Å; L490-R637 PolarHBondContact O-N 3.23Å |
| 491 | I | 97.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 100.2 | 173.4 | -50.9 | 171.4 | 0 | 0 | 0 | 108.4 | L489 I517 H521 V610 V611 C612 R637 Y642 | L489-I491 HydrophobicContact CD2-CD1 4.08Å; L489-I491 HydrophobicContact CD2-CG1 4.17Å; L489-I491 HydrophobicContact CG-CD1 4.47Å; L489-I491 HydrophobicContact CG-CG1 4.03Å; I491-I517 HydrophobicContact CB-CG2 4.36Å; I491-I517 HydrophobicContact CD1-CG2 4.02Å; I491-I517 HydrophobicContact CG2-CG2 3.68Å; I491-H521 HydrophobicContact CD1-CB 4.36Å; I491-V610 PolarHBondContact N-O 3.29Å; I491-V611 HydrophobicContact CB-CG1 4.46Å; I491-V611 HydrophobicContact CB-CG2 4.3Å; I491-V611 HydrophobicContact CD1-CG2 4.17Å; I491-V611 WeakPolarHBondContact O-CA 3.26Å; I491-C612 PolarHBondContact O-N 2.83Å; I491-R637 CarbonylContact C-O 3.54Å; I491-R637 WeakPolarHBondContact CA-O 3.09Å; I491-Y642 HydrophobicContact CD1-CE1 4.22Å; I491-Y642 HydrophobicContact CD1-CE2 3.97Å; I491-Y642 WeakPolarHBondContact CD1-OH 3.29Å; I491-Y642 HydrophobicContact CG1-CE2 4.12Å; I491-Y642 HydrophobicContact CG2-CD2 3.89Å; I491-Y642 HydrophobicContact CG2-CE2 3.71Å |
| 492 | D | 96.9 | Very high | 91.1 | Very high | 30 Ų | 30 | 38.2 Ų | 38.2 | 16% | 0.16 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 125.2 | -174.7 | -169.5 | 7.4 | 0 | 0 | 0 | 112.1 | A494 C612 T614 R637 A639 | D492-A494 WeakPolarHBondContact OD1-CB 3.5Å; D492-A494 PolarHBondContact OD1-N 3.02Å; D492-C612 WeakPolarHBondContact CA-O 3.49Å; D492-T614 HydrophobicContact CB-CG2 4Å; D492-T614 VanDerWaalsContact CG-OG1 3.23Å; D492-T614 VanDerWaalsContact OD1-CG2 3.32Å; D492-T614 WeakPolarHBondContact OD1-CG2 3.38Å; D492-T614 PolarHBondContact OD1-N 2.93Å; D492-T614 PolarHBondContact OD1-OG1 3.41Å; D492-T614 WeakPolarHBondContact OD2-CG2 3.42Å; D492-T614 PolarHBondContact OD2-OG1 2.88Å; D492-R637 PolarHBondContact N-O 2.77Å; D492-A639 WeakPolarHBondContact O-CB 3.37Å; D492-A639 PolarHBondContact O-N 3.03Å |
| 493 | T | 94.8 | Very high | 90 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | trans | -98.2 | 0.1 | 176.1 | 69.2 | 0 | 0 | 0 | 0 | 113.5 | C496 L498 E514 I517 V611 C612 D613 A639 | T493-C496 VanDerWaalsContact O-CB 3.27Å; T493-C496 WeakPolarHBondContact O-CB 3.35Å; T493-C496 PolarHBondContact O-N 3.09Å; T493-L498 HydrophobicContact CG2-CD1 4.07Å; T493-E514 HydrophobicContact CG2-CG 4.23Å; T493-I517 HydrophobicContact CG2-CD1 3.57Å; T493-V611 HydrophobicContact CG2-CG1 3.93Å; T493-C612 PolarHBondContact N-O 2.99Å; T493-C612 PolarHBondContact OG1-O 3.24Å; T493-D613 VanDerWaalsContact OG1-CA 3.25Å; T493-D613 WeakPolarHBondContact OG1-CA 3.16Å; T493-D613 WeakPolarHBondContact OG1-CB 3.46Å; T493-D613 PolarHBondContact OG1-N 2.98Å; T493-D613 VanDerWaalsContact OG1-N 3.08Å; T493-A639 HydrophobicContact CG2-CB 4.21Å | ||
| 494 | A | 92.5 | Very high | 88.2 | Confident | 19 Ų | 19 | 40 Ų | 40 | 16% | 0.157 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | 141.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | D492 C496 D613 Q615 | D492-A494 WeakPolarHBondContact OD1-CB 3.5Å; D492-A494 PolarHBondContact OD1-N 3.02Å; A494-C496 PolarHBondContact O-N 3.43Å; A494-C496 PolarHBondContact O-SG 3.44Å; A494-D613 WeakPolarHBondContact CA-OD1 3.38Å; A494-D613 WeakPolarHBondContact CB-OD1 3.38Å; A494-Q615 HydrophobicContact CB-CB 4.15Å |
| 495 | G | 85.5 | Confident | 86.2 | Confident | 65 Ų | 65 | 44.7 Ų | 44.7 | 67% | 0.67 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.4 | -7.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | G497 | G495-G497 PolarHBondContact O-N 3.11Š|
| 496 | C | 86.9 | Confident | 84.4 | Confident | 8 Ų | 8 | 51.4 Ų | 51.4 | 5% | 0.054 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -3.2 | -174.4 | -59.7 | 0 | 0 | 0 | 0 | 114 | T493 A494 L498 A639 F640 I646 | T493-C496 VanDerWaalsContact O-CB 3.27Å; T493-C496 WeakPolarHBondContact O-CB 3.35Å; T493-C496 PolarHBondContact O-N 3.09Å; A494-C496 PolarHBondContact O-N 3.43Å; A494-C496 PolarHBondContact O-SG 3.44Å; C496-L498 VanDerWaalsContact C-N 3.27Å; C496-L498 HydrophobicContact CB-CD1 4.08Å; C496-L498 HydrophobicContact CB-CG 3.94Å; C496-L498 PolarHBondContact O-N 2.79Å; C496-A639 HydrophobicContact CB-CB 4.23Å; C496-F640 HydrophobicContact CB-CE2 4.5Å; C496-F640 HydrophobicContact CB-CZ 4.45Å; C496-F640 VanDerWaalsContact SG-CD2 3.54Å; C496-F640 WeakPolarHBondContact SG-CE2 3.29Å; C496-I646 HydrophobicContact CB-CD1 4.03Å |
| 497 | G | 83.6 | Confident | 82.8 | Confident | 63 Ų | 63 | 58.8 Ų | 58.8 | 65% | 0.649 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.2 | 9.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115 | G495 S499 | G495-G497 PolarHBondContact O-N 3.11Å; G497-S499 VanDerWaalsContact C-N 3.25Å; G497-S499 PolarHBondContact O-N 3.31Å |
| 498 | L | 87.9 | Confident | 81.9 | Confident | 26 Ų | 26 | 58.9 Ų | 58.9 | 14% | 0.136 | 35% | 0.35 | C | S | . | . | trans | -82.6 | 64.9 | -177.7 | -53.8 | -179.9 | 0 | 0 | 0 | 111 | T493 C496 N511 I517 S582 A639 L643 I646 | T493-L498 HydrophobicContact CG2-CD1 4.07Å; C496-L498 VanDerWaalsContact C-N 3.27Å; C496-L498 HydrophobicContact CB-CD1 4.08Å; C496-L498 HydrophobicContact CB-CG 3.94Å; C496-L498 PolarHBondContact O-N 2.79Å; L498-N511 PolarHBondContact O-ND2 2.96Å; L498-I517 HydrophobicContact CD1-CD1 3.62Å; L498-S582 WeakPolarHBondContact O-CB 3.42Å; L498-A639 HydrophobicContact CD1-CB 3.9Å; L498-L643 HydrophobicContact CD1-CD1 3.88Å; L498-L643 HydrophobicContact CD2-CD1 4.25Å; L498-I646 HydrophobicContact CD1-CD1 4.4Å; L498-I646 HydrophobicContact CD2-CD1 4.22Å; L498-I646 HydrophobicContact CG-CD1 4.48Å | ||
| 499 | S | 87.7 | Confident | 81.4 | Confident | 69 Ų | 69 | 61 Ų | 61 | 48% | 0.483 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -77.5 | 157.4 | -174.7 | -55.7 | 0 | 0 | 0 | 0 | 113.5 | G497 | G497-S499 VanDerWaalsContact C-N 3.25Å; G497-S499 PolarHBondContact O-N 3.31Å |
| 500 | E | 88.4 | Confident | 81.1 | Confident | 25 Ų | 25 | 61 Ų | 61 | 12% | 0.117 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 148.9 | 173.7 | 72.5 | -173.8 | -120.9 | 0 | 0 | 112.8 | K509 R581 S582 N583 | E500-K509 WeakPolarHBondContact OE1-CD 3.38Å; E500-K509 VanDerWaalsContact OE1-CE 3.32Å; E500-K509 WeakPolarHBondContact OE1-CE 3.41Å; E500-K509 IonicContact OE1-NZ 2.68Å; E500-K509 PolarHBondContact OE1-NZ 3.45Å; E500-R581 IonicContact OE1-CZ 2.68Å; E500-R581 IonicContact OE1-NE 2.65Å; E500-R581 PolarHBondContact OE1-NE 2.96Å; E500-R581 IonicContact OE1-NH2 3.37Å; E500-R581 PolarHBondContact OE1-NH2 3.24Å; E500-R581 IonicContact OE2-CZ 2.72Å; E500-R581 IonicContact OE2-NE 3.89Å; E500-R581 PolarHBondContact OE2-NE 3.39Å; E500-R581 IonicContact OE2-NH2 2.62Å; E500-R581 PolarHBondContact OE2-NH2 3.07Å; E500-S582 WeakPolarHBondContact CG-O 3.37Å; E500-S582 PolarHBondContact N-O 3Å; E500-N583 HydrophobicContact CG-CB 4.37Å; E500-N583 PolarHBondContact OE2-ND2 3.08Å |
| 501 | M | 85.7 | Confident | 80.9 | Confident | 74 Ų | 74 | 61 Ų | 61 | 37% | 0.365 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -75.8 | 128.2 | 178.5 | -64.4 | 177.3 | 71 | 0 | 0 | 111.6 | I503 G510 L547 | M501-I503 HydrophobicContact CB-CD1 4.12Å; M501-I503 HydrophobicContact CB-CG1 4.39Å; M501-I503 HydrophobicContact CE-CD1 4.28Å; M501-I503 PolarHBondContact O-N 2.83Å; M501-G510 WeakPolarHBondContact CB-O 3.4Å; M501-G510 WeakPolarHBondContact CG-O 3.33Å; M501-G510 PolarHBondContact N-O 3.15Å; M501-L547 HydrophobicContact SD-CD1 4.01Å |
| 502 | E | 69.1 | Low | 80.6 | Confident | 191 Ų | 191 | 64.9 Ų | 64.9 | 89% | 0.893 | 38% | 0.377 | S | S | * | . | trans | -81.5 | 109.7 | 168.6 | -66.4 | -175.7 | 173.8 | 0 | 0 | 110.1 | ||||
| 503 | I | 68.8 | Low | 80.5 | Confident | 77 Ų | 77 | 63.9 Ų | 63.9 | 40% | 0.395 | 37% | 0.374 | S | S | . | . | trans | -124.8 | 146.4 | 177.2 | -66.8 | 162.1 | 0 | 0 | 0 | 107.8 | M501 D505 L543 | M501-I503 HydrophobicContact CB-CD1 4.12Å; M501-I503 HydrophobicContact CB-CG1 4.39Å; M501-I503 HydrophobicContact CE-CD1 4.28Å; M501-I503 PolarHBondContact O-N 2.83Å; I503-D505 HydrophobicContact CG2-CB 4.25Å; I503-D505 PolarHBondContact O-N 3.25Å; I503-D505 VanDerWaalsContact O-N 3.15Å; I503-L543 HydrophobicContact CD1-CD2 3.23Å | ||
| 504 | A | 51.8 | Low | 80.5 | Confident | 109 Ų | 109 | 63.8 Ų | 63.8 | 90% | 0.901 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -68 | -9.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 505 | D | 53.1 | Low | 80.7 | Confident | 98 Ų | 98 | 62.9 Ų | 62.9 | 52% | 0.524 | 37% | 0.366 | S | S | . | . | trans | -95.9 | 96 | 175 | -167 | -11.1 | 0 | 0 | 0 | 108.3 | I503 Q507 | I503-D505 HydrophobicContact CG2-CB 4.25Å; I503-D505 PolarHBondContact O-N 3.25Å; I503-D505 VanDerWaalsContact O-N 3.15Å; D505-Q507 PolarHBondContact O-N 2.78Å; D505-Q507 VanDerWaalsContact O-N 3.09Å | ||
| 506 | E | 57.2 | Low | 81.1 | Confident | 180 Ų | 180 | 62.1 Ų | 62.1 | 84% | 0.841 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -14.9 | -172.2 | -63.6 | -172.9 | 157.9 | 0 | 0 | 113.6 | S508 | E506-S508 PolarHBondContact O-N 3.44Š|
| 507 | Q | 61.1 | Low | 81.5 | Confident | 173 Ų | 173 | 61.7 Ų | 61.7 | 81% | 0.808 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -9.2 | -173.2 | -60.9 | -156.7 | -9.8 | 0 | 0 | 114.9 | D505 | D505-Q507 PolarHBondContact O-N 2.78Å; D505-Q507 VanDerWaalsContact O-N 3.09Å |
| 508 | S | 77.8 | Confident | 82.1 | Confident | 23 Ų | 23 | 58.7 Ų | 58.7 | 16% | 0.161 | 31% | 0.313 | C | S | . | . | trans | -142 | 152.2 | 176.3 | -144.7 | 0 | 0 | 0 | 0 | 113.6 | E506 N542 L543 | E506-S508 PolarHBondContact O-N 3.44Å; S508-N542 PolarHBondContact OG-N 3.47Å; S508-L543 PolarHBondContact OG-N 2.77Å; S508-L543 VanDerWaalsContact OG-N 3.12Å | ||
| 509 | K | 87.9 | Confident | 82.5 | Confident | 49 Ų | 49 | 57.8 Ų | 57.8 | 21% | 0.213 | 31% | 0.309 | C | S | . | . | trans | -125.9 | 152.6 | -178.6 | -62.5 | -67.2 | -176.2 | 155 | 0 | 110.3 | E500 Y541 Q544 V580 | E500-K509 WeakPolarHBondContact OE1-CD 3.38Å; E500-K509 VanDerWaalsContact OE1-CE 3.32Å; E500-K509 WeakPolarHBondContact OE1-CE 3.41Å; E500-K509 IonicContact OE1-NZ 2.68Å; E500-K509 PolarHBondContact OE1-NZ 3.45Å; K509-Y541 HydrophobicContact CB-CD1 3.87Å; K509-Y541 HydrophobicContact CB-CD2 4.15Å; K509-Y541 HydrophobicContact CB-CE1 4.07Å; K509-Y541 HydrophobicContact CB-CE2 4.34Å; K509-Y541 HydrophobicContact CB-CG 3.9Å; K509-Y541 HydrophobicContact CG-CD1 4.17Å; K509-Y541 HydrophobicContact CG-CE1 3.93Å; K509-Y541 WeakPolarHBondContact O-CB 3.4Å; K509-Q544 PolarHBondContact O-N 3.43Å; K509-V580 HydrophobicContact CB-CG1 3.96Å | ||
| 510 | G | 90.3 | Very high | 82.8 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | trans | -146.4 | 153 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | M501 | M501-G510 WeakPolarHBondContact CB-O 3.4Å; M501-G510 WeakPolarHBondContact CG-O 3.33Å; M501-G510 PolarHBondContact N-O 3.15Å | ||
| 511 | N | 94.1 | Very high | 83.2 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | trans | -142.2 | 103.9 | 179.6 | -174.3 | -22.7 | 0 | 0 | 0 | 108.7 | L498 G513 E514 V515 Q544 V580 | L498-N511 PolarHBondContact O-ND2 2.96Å; N511-G513 VanDerWaalsContact C-N 3.26Å; N511-G513 PolarHBondContact O-N 3.05Å; N511-G513 PolarHBondContact OD1-N 3.5Å; N511-E514 HydrophobicContact CB-CB 4.22Å; N511-E514 HydrophobicContact CB-CG 4.2Å; N511-E514 PolarHBondContact ND2-OE1 3.39Å; N511-E514 PolarHBondContact O-N 3.36Å; N511-E514 PolarHBondContact OD1-N 3.1Å; N511-V515 WeakPolarHBondContact O-CG2 3.49Å; N511-V515 PolarHBondContact O-N 2.98Å; N511-V515 VanDerWaalsContact O-N 3.14Å; N511-Q544 PolarHBondContact O-NE2 3.18Å; N511-Q544 VanDerWaalsContact O-NE2 3.09Å; N511-Q544 PolarHBondContact O-OE1 3.41Å; N511-V580 HydrophobicContact CB-CG1 3.97Å; N511-V580 PolarHBondContact ND2-O 2.94Å | ||
| 512 | Q | 92.6 | Very high | 83.7 | Confident | 81 Ų | 81 | 52.8 Ų | 52.8 | 38% | 0.379 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.2 | -31.4 | -178.3 | -173.4 | 58.8 | 54.1 | 0 | 0 | 112.4 | V515 D516 | Q512-V515 WeakPolarHBondContact O-CB 3.29Å; Q512-V515 PolarHBondContact O-N 3.14Å; Q512-D516 PolarHBondContact NE2-OD1 3.25Å; Q512-D516 PolarHBondContact O-N 3.4Å |
| 513 | G | 93.2 | Very high | 84.9 | Confident | 9 Ų | 9 | 48 Ų | 48 | 9% | 0.093 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.5 | -44 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | N511 D516 I517 | N511-G513 VanDerWaalsContact C-N 3.26Å; N511-G513 PolarHBondContact O-N 3.05Å; N511-G513 PolarHBondContact OD1-N 3.5Å; G513-D516 PolarHBondContact O-N 2.98Å; G513-I517 WeakPolarHBondContact O-CG1 3.45Å; G513-I517 PolarHBondContact O-N 2.92Å |
| 514 | E | 95.8 | Very high | 86.1 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.2 | -40.4 | 172.9 | -70.4 | -177.1 | -142.3 | 0 | 0 | 112.1 | T493 N511 D516 I517 V518 S578 L579 V580 V611 | T493-E514 HydrophobicContact CG2-CG 4.23Å; N511-E514 HydrophobicContact CB-CB 4.22Å; N511-E514 HydrophobicContact CB-CG 4.2Å; N511-E514 PolarHBondContact ND2-OE1 3.39Å; N511-E514 PolarHBondContact O-N 3.36Å; N511-E514 PolarHBondContact OD1-N 3.1Å; E514-D516 PolarHBondContact O-N 2.8Å; E514-I517 PolarHBondContact O-N 2.83Å; E514-V518 VanDerWaalsContact O-CB 3.3Å; E514-V518 WeakPolarHBondContact O-CB 3.47Å; E514-V518 WeakPolarHBondContact O-CG2 3.32Å; E514-V518 PolarHBondContact O-N 3.45Å; E514-S578 WeakPolarHBondContact OE2-CB 3.49Å; E514-S578 PolarHBondContact OE2-OG 2.77Å; E514-L579 PolarHBondContact OE2-N 3.25Å; E514-V580 VanDerWaalsContact CD-N 3.32Å; E514-V580 WeakPolarHBondContact OE1-CA 3.38Å; E514-V580 PolarHBondContact OE1-N 3.13Å; E514-V580 WeakPolarHBondContact OE2-CA 3.39Å; E514-V580 PolarHBondContact OE2-N 2.71Å; E514-V611 HydrophobicContact CB-CG1 4.26Å; E514-V611 HydrophobicContact CG-CG1 3.94Å |
| 515 | V | 95.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57.4 | -35.1 | 173.7 | 172.1 | 0 | 0 | 0 | 0 | 111.4 | N511 Q512 S519 L547 L548 K551 | N511-V515 WeakPolarHBondContact O-CG2 3.49Å; N511-V515 PolarHBondContact O-N 2.98Å; N511-V515 VanDerWaalsContact O-N 3.14Å; Q512-V515 WeakPolarHBondContact O-CB 3.29Å; Q512-V515 PolarHBondContact O-N 3.14Å; V515-S519 VanDerWaalsContact O-CB 3.26Å; V515-S519 WeakPolarHBondContact O-CB 3.35Å; V515-S519 PolarHBondContact O-N 3.36Å; V515-S519 VanDerWaalsContact O-N 3.15Å; V515-L547 HydrophobicContact CG2-CB 3.84Å; V515-L548 HydrophobicContact CB-CD2 4.31Å; V515-L548 HydrophobicContact CG1-CD2 4.28Å; V515-L548 HydrophobicContact CG2-CD2 4.03Å; V515-L548 HydrophobicContact CG2-CG 4.09Å; V515-K551 HydrophobicContact CG1-CB 4.11Å; V515-K551 HydrophobicContact CG1-CD 3.67Å |
| 516 | D | 94.5 | Very high | 90.2 | Very high | 48 Ų | 48 | 37.9 Ų | 37.9 | 26% | 0.257 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -72.8 | -45.6 | 179.2 | -63.9 | -20.8 | 0 | 0 | 0 | 112.3 | Q512 G513 E514 S519 L520 K551 L643 | Q512-D516 PolarHBondContact NE2-OD1 3.25Å; Q512-D516 PolarHBondContact O-N 3.4Å; G513-D516 PolarHBondContact O-N 2.98Å; E514-D516 PolarHBondContact O-N 2.8Å; D516-S519 PolarHBondContact O-N 3.19Å; D516-L520 WeakPolarHBondContact O-CG 3.35Å; D516-L520 PolarHBondContact O-N 2.83Å; D516-K551 IonicContact OD1-NZ 3.6Å; D516-K551 PolarHBondContact OD1-NZ 3.27Å; D516-L643 HydrophobicContact CB-CD2 4.3Å |
| 517 | I | 95.7 | Very high | 92 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.3 | -49.5 | 175.5 | -65.4 | 162.8 | 0 | 0 | 0 | 111.6 | I491 T493 L498 G513 E514 S519 L520 H521 V611 A639 Y642 L643 | I491-I517 HydrophobicContact CB-CG2 4.36Å; I491-I517 HydrophobicContact CD1-CG2 4.02Å; I491-I517 HydrophobicContact CG2-CG2 3.68Å; T493-I517 HydrophobicContact CG2-CD1 3.57Å; L498-I517 HydrophobicContact CD1-CD1 3.62Å; G513-I517 WeakPolarHBondContact O-CG1 3.45Å; G513-I517 PolarHBondContact O-N 2.92Å; E514-I517 PolarHBondContact O-N 2.83Å; I517-S519 PolarHBondContact O-N 3.48Å; I517-L520 WeakPolarHBondContact O-CA 3.48Å; I517-L520 WeakPolarHBondContact O-CB 3.38Å; I517-L520 PolarHBondContact O-N 2.93Å; I517-H521 PolarHBondContact O-N 3.21Å; I517-V611 HydrophobicContact CB-CG1 4.14Å; I517-V611 HydrophobicContact CD1-CG1 4.15Å; I517-V611 HydrophobicContact CG2-CG1 3.8Å; I517-V611 HydrophobicContact CG2-CG2 4.17Å; I517-A639 HydrophobicContact CD1-CB 3.49Å; I517-A639 VanDerWaalsContact CD1-CB 3.49Å; I517-A639 HydrophobicContact CG1-CB 4.4Å; I517-Y642 HydrophobicContact CG2-CD1 4.39Å; I517-Y642 HydrophobicContact CG2-CG 4.31Å; I517-L643 HydrophobicContact CD1-CD1 4.22Å; I517-L643 HydrophobicContact CG1-CD1 3.85Å; I517-L643 HydrophobicContact CG1-CG 4.28Å |
| 518 | V | 96.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -56.3 | -41.1 | 177.7 | 168.4 | 0 | 0 | 0 | 0 | 110.4 | E514 L520 H521 I522 V537 L548 L552 V576 V611 | E514-V518 VanDerWaalsContact O-CB 3.3Å; E514-V518 WeakPolarHBondContact O-CB 3.47Å; E514-V518 WeakPolarHBondContact O-CG2 3.32Å; E514-V518 PolarHBondContact O-N 3.45Å; V518-L520 VanDerWaalsContact C-N 3.29Å; V518-L520 PolarHBondContact O-N 2.79Å; V518-H521 PolarHBondContact O-N 3.48Å; V518-I522 HydrophobicContact CG1-CD1 3.56Å; V518-I522 HydrophobicContact CG1-CG1 4.43Å; V518-I522 WeakPolarHBondContact O-CB 3.34Å; V518-I522 VanDerWaalsContact O-CD1 3.32Å; V518-I522 WeakPolarHBondContact O-CD1 3.49Å; V518-I522 WeakPolarHBondContact O-CG1 3.5Å; V518-I522 PolarHBondContact O-N 3.11Å; V518-V537 HydrophobicContact CG1-CG1 3.72Å; V518-L548 HydrophobicContact CB-CD2 4.06Å; V518-L548 HydrophobicContact CG1-CD2 3.69Å; V518-L552 HydrophobicContact CG1-CD1 4.39Å; V518-V576 HydrophobicContact CB-CG1 4.4Å; V518-V576 HydrophobicContact CG1-CG1 3.97Å; V518-V576 HydrophobicContact CG2-CG1 3.93Å; V518-V611 HydrophobicContact CG2-CB 4.23Å; V518-V611 HydrophobicContact CG2-CG2 3.71Å |
| 519 | S | 95.6 | Very high | 94.4 | Very high | 7 Ų | 7 | 28.1 Ų | 28.1 | 5% | 0.049 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67.8 | -24.4 | 176.4 | 179 | 0 | 0 | 0 | 0 | 114.4 | V515 D516 I517 | V515-S519 VanDerWaalsContact O-CB 3.26Å; V515-S519 WeakPolarHBondContact O-CB 3.35Å; V515-S519 PolarHBondContact O-N 3.36Å; V515-S519 VanDerWaalsContact O-N 3.15Å; D516-S519 PolarHBondContact O-N 3.19Å; I517-S519 PolarHBondContact O-N 3.48Å |
| 520 | L | 94.7 | Very high | 94.8 | Very high | 63 Ų | 63 | 26 Ų | 26 | 33% | 0.33 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -81.3 | -43.9 | 174 | -70.2 | 167.8 | 0 | 0 | 0 | 110.7 | D516 I517 V518 I522 K523 S524 Y642 L643 | D516-L520 WeakPolarHBondContact O-CG 3.35Å; D516-L520 PolarHBondContact O-N 2.83Å; I517-L520 WeakPolarHBondContact O-CA 3.48Å; I517-L520 WeakPolarHBondContact O-CB 3.38Å; I517-L520 PolarHBondContact O-N 2.93Å; V518-L520 VanDerWaalsContact C-N 3.29Å; V518-L520 PolarHBondContact O-N 2.79Å; L520-I522 PolarHBondContact O-N 2.94Å; L520-K523 WeakPolarHBondContact O-CA 3.22Å; L520-K523 VanDerWaalsContact O-CB 3.26Å; L520-K523 WeakPolarHBondContact O-CB 3.34Å; L520-K523 PolarHBondContact O-N 2.85Å; L520-S524 PolarHBondContact O-N 2.74Å; L520-S524 PolarHBondContact O-OG 2.93Å; L520-Y642 HydrophobicContact CB-CD1 3.98Å; L520-Y642 HydrophobicContact CD1-CD1 4.48Å; L520-Y642 VanDerWaalsContact CD1-O 3.3Å; L520-Y642 WeakPolarHBondContact CD1-O 3.36Å; L520-L643 HydrophobicContact CD1-CD2 4.01Å |
| 521 | H | 95.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.4 | -43.8 | 177.4 | -169.3 | 53.1 | 0 | 0 | 0 | 112.6 | L489 I491 I517 V518 K523 S524 L525 H607 A609 Y642 | L489-H521 WeakPolarHBondContact CD2-CE1 3.39Å; I491-H521 HydrophobicContact CD1-CB 4.36Å; I517-H521 PolarHBondContact O-N 3.21Å; V518-H521 PolarHBondContact O-N 3.48Å; H521-K523 PolarHBondContact O-N 3.47Å; H521-S524 WeakPolarHBondContact O-CB 3.17Å; H521-S524 PolarHBondContact O-N 2.8Å; H521-S524 VanDerWaalsContact O-N 3.14Å; H521-L525 WeakPolarHBondContact O-CG 3.39Å; H521-L525 PolarHBondContact O-N 2.83Å; H521-H607 AromaticContact CE1-NE2 3.85Å; H521-H607 AromaticContact NE2-CE1 3.95Å; H521-H607 AromaticContact NE2-NE2 3.12Å; H521-H607 PolarHBondContact NE2-NE2 3.37Å; H521-H607 VanDerWaalsContact NE2-NE2 3.12Å; H521-A609 WeakPolarHBondContact NE2-CB 3.34Å; H521-Y642 HydrophobicContact CB-CE1 4.43Å |
| 522 | I | 95.8 | Very high | 95 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.2 | -35.2 | 174.1 | -66.9 | 162.4 | 0 | 0 | 0 | 111.3 | V518 L520 T526 V537 L552 M559 V576 | V518-I522 HydrophobicContact CG1-CD1 3.56Å; V518-I522 HydrophobicContact CG1-CG1 4.43Å; V518-I522 WeakPolarHBondContact O-CB 3.34Å; V518-I522 VanDerWaalsContact O-CD1 3.32Å; V518-I522 WeakPolarHBondContact O-CD1 3.49Å; V518-I522 WeakPolarHBondContact O-CG1 3.5Å; V518-I522 PolarHBondContact O-N 3.11Å; L520-I522 PolarHBondContact O-N 2.94Å; I522-T526 HydrophobicContact CG2-CG2 4.41Å; I522-T526 WeakPolarHBondContact O-CB 3.27Å; I522-T526 WeakPolarHBondContact O-CG2 3.46Å; I522-T526 PolarHBondContact O-N 3.13Å; I522-T526 PolarHBondContact O-OG1 3.41Å; I522-V537 HydrophobicContact CD1-CG2 3.43Å; I522-V537 VanDerWaalsContact CD1-CG2 3.43Å; I522-V537 HydrophobicContact CG1-CG2 4.45Å; I522-L552 HydrophobicContact CD1-CD1 3.65Å; I522-L552 HydrophobicContact CD1-CD2 4.24Å; I522-M559 HydrophobicContact CD1-CE 3.92Å; I522-M559 HydrophobicContact CD1-SD 4.01Å; I522-M559 HydrophobicContact CG1-SD 4.39Å; I522-M559 HydrophobicContact CG2-CE 4.25Å; I522-M559 HydrophobicContact CG2-SD 3.78Å; I522-V576 HydrophobicContact CG1-CG2 4.26Å |
| 523 | K | 94.1 | Very high | 95.1 | Very high | 90 Ų | 90 | 32.8 Ų | 32.8 | 39% | 0.391 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -63.6 | -48.3 | 173.9 | -168.1 | -171.7 | 176.2 | -96.7 | 0 | 110.4 | L520 H521 L525 T526 E527 | L520-K523 WeakPolarHBondContact O-CA 3.22Å; L520-K523 VanDerWaalsContact O-CB 3.26Å; L520-K523 WeakPolarHBondContact O-CB 3.34Å; L520-K523 PolarHBondContact O-N 2.85Å; H521-K523 PolarHBondContact O-N 3.47Å; K523-L525 PolarHBondContact O-N 2.94Å; K523-T526 PolarHBondContact O-N 2.91Å; K523-T526 PolarHBondContact O-OG1 3.35Å; K523-T526 VanDerWaalsContact O-OG1 3.11Å; K523-E527 WeakPolarHBondContact CE-OE1 3.36Å; K523-E527 HydrophobicContact CG-CG 4.28Å; K523-E527 IonicContact NZ-OE1 2.69Å; K523-E527 PolarHBondContact NZ-OE1 3.08Å; K523-E527 IonicContact NZ-OE2 2.63Å; K523-E527 PolarHBondContact NZ-OE2 2.88Å; K523-E527 WeakPolarHBondContact O-CB 3.49Å; K523-E527 WeakPolarHBondContact O-CG 3.19Å; K523-E527 PolarHBondContact O-N 3Å |
| 524 | S | 94.4 | Very high | 95.2 | Very high | 39 Ų | 39 | 34.4 Ų | 34.4 | 27% | 0.273 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -57 | -47 | 176 | -57.2 | 0 | 0 | 0 | 0 | 112.3 | L520 H521 T526 E527 A528 | L520-S524 PolarHBondContact O-N 2.74Å; L520-S524 PolarHBondContact O-OG 2.93Å; H521-S524 WeakPolarHBondContact O-CB 3.17Å; H521-S524 PolarHBondContact O-N 2.8Å; H521-S524 VanDerWaalsContact O-N 3.14Å; S524-T526 PolarHBondContact O-N 2.74Å; S524-E527 PolarHBondContact O-N 2.94Å; S524-A528 VanDerWaalsContact O-CB 3.3Å; S524-A528 WeakPolarHBondContact O-CB 3.32Å; S524-A528 PolarHBondContact O-N 3.26Å |
| 525 | L | 95.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62 | -42 | 178.2 | -67.1 | 179.1 | 0 | 0 | 0 | 112.6 | L472 E483 H521 K523 A528 G529 V530 I535 A574 | L472-L525 HydrophobicContact CD1-CD2 3.85Å; E483-L525 HydrophobicContact CB-CD2 4.01Å; H521-L525 WeakPolarHBondContact O-CG 3.39Å; H521-L525 PolarHBondContact O-N 2.83Å; K523-L525 PolarHBondContact O-N 2.94Å; L525-A528 PolarHBondContact O-N 3.32Å; L525-G529 PolarHBondContact O-N 3.39Å; L525-V530 HydrophobicContact CB-CB 4.3Å; L525-V530 HydrophobicContact CB-CG2 4.36Å; L525-V530 VanDerWaalsContact O-CB 3.25Å; L525-V530 WeakPolarHBondContact O-CB 3.47Å; L525-V530 WeakPolarHBondContact O-CG2 3.37Å; L525-V530 PolarHBondContact O-N 2.88Å; L525-I535 HydrophobicContact CB-CD1 4.1Å; L525-I535 HydrophobicContact CD1-CD1 4.44Å; L525-A574 HydrophobicContact CD1-CB 4.31Å |
| 526 | T | 95 | Very high | 95.2 | Very high | 33 Ų | 33 | 34.4 Ų | 34.4 | 20% | 0.202 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -75.1 | -34.5 | -180 | 52.2 | 0 | 0 | 0 | 0 | 113 | I522 K523 S524 A528 G529 I535 | I522-T526 HydrophobicContact CG2-CG2 4.41Å; I522-T526 WeakPolarHBondContact O-CB 3.27Å; I522-T526 WeakPolarHBondContact O-CG2 3.46Å; I522-T526 PolarHBondContact O-N 3.13Å; I522-T526 PolarHBondContact O-OG1 3.41Å; K523-T526 PolarHBondContact O-N 2.91Å; K523-T526 PolarHBondContact O-OG1 3.35Å; K523-T526 VanDerWaalsContact O-OG1 3.11Å; S524-T526 PolarHBondContact O-N 2.74Å; T526-A528 VanDerWaalsContact C-N 3.3Å; T526-G529 PolarHBondContact O-N 2.95Å; T526-I535 HydrophobicContact CG2-CD1 3.88Å |
| 527 | E | 94.9 | Very high | 95.4 | Very high | 131 Ų | 131 | 32.1 Ų | 32.1 | 61% | 0.612 | 17% | 0.168 | S | C | * | . | H | α-helix | trans | -67.8 | -30.2 | 170.8 | -72.9 | -176.6 | 148.2 | 0 | 0 | 112.1 | K523 S524 G529 | K523-E527 WeakPolarHBondContact CE-OE1 3.36Å; K523-E527 HydrophobicContact CG-CG 4.28Å; K523-E527 IonicContact NZ-OE1 2.69Å; K523-E527 PolarHBondContact NZ-OE1 3.08Å; K523-E527 IonicContact NZ-OE2 2.63Å; K523-E527 PolarHBondContact NZ-OE2 2.88Å; K523-E527 WeakPolarHBondContact O-CB 3.49Å; K523-E527 WeakPolarHBondContact O-CG 3.19Å; K523-E527 PolarHBondContact O-N 3Å; S524-E527 PolarHBondContact O-N 2.94Å; E527-G529 PolarHBondContact O-N 2.87Å |
| 528 | A | 95.1 | Very high | 95.4 | Very high | 9 Ų | 9 | 32.1 Ų | 32.1 | 7% | 0.074 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | 0.3 | 169.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | V478 A479 V481 T484 S524 L525 T526 | V478-A528 CarbonylContact C-O 3.59Å; V478-A528 WeakPolarHBondContact CA-O 3.49Å; A479-A528 PolarHBondContact N-O 3.45Å; V481-A528 HydrophobicContact CG2-CB 3.7Å; T484-A528 HydrophobicContact CG2-CB 3.93Å; S524-A528 VanDerWaalsContact O-CB 3.3Å; S524-A528 WeakPolarHBondContact O-CB 3.32Å; S524-A528 PolarHBondContact O-N 3.26Å; L525-A528 PolarHBondContact O-N 3.32Å; T526-A528 VanDerWaalsContact C-N 3.3Å |
| 529 | G | 95.4 | Very high | 95.2 | Very high | 30 Ų | 30 | 32.1 Ų | 32.1 | 31% | 0.309 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 95.2 | 2.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116 | L525 T526 E527 K531 | L525-G529 PolarHBondContact O-N 3.39Å; T526-G529 PolarHBondContact O-N 2.95Å; E527-G529 PolarHBondContact O-N 2.87Å; G529-K531 PolarHBondContact O-N 3.31Å |
| 530 | V | 96 | Very high | 94.9 | Very high | 5 Ų | 5 | 32 Ų | 32 | 3% | 0.03 | 17% | 0.168 | C | C | . | . | trans | -69 | 125.8 | 173.8 | -173 | 0 | 0 | 0 | 0 | 109.3 | L472 V478 T484 L525 I535 | L472-V530 HydrophobicContact CD1-CG2 4.37Å; V478-V530 HydrophobicContact CG1-CG2 3.84Å; V478-V530 HydrophobicContact CG2-CG2 3.95Å; T484-V530 HydrophobicContact CG2-CG2 4.37Å; L525-V530 HydrophobicContact CB-CB 4.3Å; L525-V530 HydrophobicContact CB-CG2 4.36Å; L525-V530 VanDerWaalsContact O-CB 3.25Å; L525-V530 WeakPolarHBondContact O-CB 3.47Å; L525-V530 WeakPolarHBondContact O-CG2 3.37Å; L525-V530 PolarHBondContact O-N 2.88Å; V530-I535 HydrophobicContact CB-CD1 4.34Å; V530-I535 HydrophobicContact CG1-CD1 3.98Å; V530-I535 HydrophobicContact CG1-CG1 3.76Å | ||
| 531 | K | 95.5 | Very high | 94.6 | Very high | 109 Ų | 109 | 29.7 Ų | 29.7 | 47% | 0.474 | 16% | 0.155 | S | C | . | . | trans | -74.5 | 136.5 | -175 | -60.6 | 167.4 | -173.5 | 162.5 | 0 | 110.3 | G529 K533 D534 | G529-K531 PolarHBondContact O-N 3.31Å; K531-K533 HydrophobicContact CB-CG 4.08Å; K531-K533 PolarHBondContact O-N 3.46Å; K531-K533 VanDerWaalsContact O-N 3.13Å; K531-D534 WeakPolarHBondContact CB-OD2 3.4Å; K531-D534 WeakPolarHBondContact O-CB 3.48Å; K531-D534 PolarHBondContact O-N 3.49Å | ||
| 532 | A | 93.3 | Very high | 94 | Very high | 16 Ų | 16 | 34.6 Ų | 34.6 | 13% | 0.132 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -53.4 | -37.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114 | D534 I535 H556 M559 | A532-D534 PolarHBondContact O-N 3.49Å; A532-I535 PolarHBondContact O-N 2.89Å; A532-H556 HydrophobicContact CB-CB 4.06Å; A532-M559 HydrophobicContact CB-CB 4.36Å; A532-M559 WeakPolarHBondContact O-CA 3.46Å |
| 533 | K | 93.6 | Very high | 93.6 | Very high | 99 Ų | 99 | 36.8 Ų | 36.8 | 43% | 0.43 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -63 | -23.4 | 175.6 | 64.8 | 166.9 | -162.5 | 168.8 | 0 | 114.8 | K531 E558 K572 | K531-K533 HydrophobicContact CB-CG 4.08Å; K531-K533 PolarHBondContact O-N 3.46Å; K531-K533 VanDerWaalsContact O-N 3.13Å; K533-E558 HydrophobicContact CB-CB 4.12Å; K533-K572 WeakPolarHBondContact O-CD 3.22Å; K533-K572 WeakPolarHBondContact O-CE 3.23Å; K533-K572 PolarHBondContact O-NZ 2.96Å |
| 534 | D | 96 | Very high | 93.5 | Very high | 43 Ų | 43 | 32.5 Ų | 32.5 | 23% | 0.23 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -95.3 | 0.7 | -176.8 | -58.7 | -36.5 | 0 | 0 | 0 | 111.3 | K531 A532 E573 A574 | K531-D534 WeakPolarHBondContact CB-OD2 3.4Å; K531-D534 WeakPolarHBondContact O-CB 3.48Å; K531-D534 PolarHBondContact O-N 3.49Å; A532-D534 PolarHBondContact O-N 3.49Å; D534-E573 HydrophobicContact CB-CB 4.26Å; D534-E573 HydrophobicContact CB-CG 4.07Å; D534-E573 PolarHBondContact O-N 3.3Å; D534-E573 VanDerWaalsContact O-N 3.09Å; D534-A574 PolarHBondContact O-N 3.38Å; D534-A574 VanDerWaalsContact O-N 3.14Å |
| 535 | I | 96.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 143.6 | 173.8 | -53.1 | 174.9 | 0 | 0 | 0 | 109.3 | L525 T526 V530 A532 M559 A574 | L525-I535 HydrophobicContact CB-CD1 4.1Å; L525-I535 HydrophobicContact CD1-CD1 4.44Å; T526-I535 HydrophobicContact CG2-CD1 3.88Å; V530-I535 HydrophobicContact CB-CD1 4.34Å; V530-I535 HydrophobicContact CG1-CD1 3.98Å; V530-I535 HydrophobicContact CG1-CG1 3.76Å; A532-I535 PolarHBondContact O-N 2.89Å; I535-M559 HydrophobicContact CB-CG 4.37Å; I535-M559 HydrophobicContact CB-SD 4.33Å; I535-M559 HydrophobicContact CG2-CG 4.45Å; I535-M559 HydrophobicContact CG2-SD 4.01Å; I535-A574 WeakPolarHBondContact CA-O 3.44Å; I535-A574 HydrophobicContact CG1-CB 4.26Å |
| 536 | A | 95.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 151.6 | 160.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | E560 F567 K572 A574 V575 V576 | A536-E560 CarbonylContact C-O 3.18Å; A536-E560 VanDerWaalsContact CA-O 3.32Å; A536-E560 WeakPolarHBondContact CA-O 3.45Å; A536-E560 HydrophobicContact CB-CB 4.37Å; A536-F567 HydrophobicContact CB-CD2 4.42Å; A536-F567 HydrophobicContact CB-CE1 4.2Å; A536-F567 HydrophobicContact CB-CE2 3.45Å; A536-F567 VanDerWaalsContact CB-CE2 3.45Å; A536-F567 HydrophobicContact CB-CZ 3.32Å; A536-K572 HydrophobicContact CB-CB 4.32Å; A536-K572 HydrophobicContact CB-CG 3.62Å; A536-A574 PolarHBondContact N-O 3.44Å; A536-V575 CarbonylContact O-C 3.58Å; A536-V575 WeakPolarHBondContact O-CA 3.3Å; A536-V576 PolarHBondContact O-N 3.07Å |
| 537 | V | 96.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 124.9 | 171.1 | -165.5 | 0 | 0 | 0 | 0 | 108.7 | V518 I522 L548 M559 E560 I561 K562 V576 | V518-V537 HydrophobicContact CG1-CG1 3.72Å; I522-V537 HydrophobicContact CD1-CG2 3.43Å; I522-V537 VanDerWaalsContact CD1-CG2 3.43Å; I522-V537 HydrophobicContact CG1-CG2 4.45Å; V537-L548 HydrophobicContact CG1-CD1 3.71Å; V537-L548 HydrophobicContact CG1-CD2 4.23Å; V537-L548 HydrophobicContact CG1-CG 4.5Å; V537-M559 HydrophobicContact CG2-CE 3.88Å; V537-M559 HydrophobicContact CG2-SD 3.92Å; V537-E560 PolarHBondContact N-O 3.11Å; V537-I561 HydrophobicContact CB-CG1 4.16Å; V537-I561 HydrophobicContact CB-CG2 4.27Å; V537-I561 HydrophobicContact CG2-CG1 4.17Å; V537-I561 WeakPolarHBondContact O-CA 3.2Å; V537-K562 PolarHBondContact O-N 2.95Å; V537-K562 VanDerWaalsContact O-N 3.08Å; V537-V576 CarbonylContact C-O 3.56Å; V537-V576 WeakPolarHBondContact CA-O 3.23Å |
| 538 | I | 95.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 134.4 | -176.7 | -57.1 | -177 | 0 | 0 | 0 | 108.6 | K562 V564 F567 V575 V576 L577 S578 A600 R603 | I538-K562 WeakPolarHBondContact CA-O 3.47Å; I538-V564 HydrophobicContact CG2-CB 4.26Å; I538-V564 HydrophobicContact CG2-CG2 3.56Å; I538-F567 HydrophobicContact CD1-CB 4.18Å; I538-F567 HydrophobicContact CD1-CD1 3.9Å; I538-F567 HydrophobicContact CD1-CD2 4.43Å; I538-F567 HydrophobicContact CD1-CE1 4.47Å; I538-F567 HydrophobicContact CD1-CG 3.89Å; I538-F567 HydrophobicContact CG1-CD2 4.41Å; I538-F567 HydrophobicContact CG1-CG 4.31Å; I538-V575 HydrophobicContact CD1-CG1 3.74Å; I538-V575 HydrophobicContact CG1-CG1 4.07Å; I538-V576 PolarHBondContact N-O 3.3Å; I538-L577 HydrophobicContact CB-CD1 4.21Å; I538-L577 HydrophobicContact CG2-CD1 4.06Å; I538-L577 WeakPolarHBondContact O-CA 3.42Å; I538-L577 WeakPolarHBondContact O-CD1 3.43Å; I538-S578 PolarHBondContact O-N 3.46Å; I538-A600 HydrophobicContact CG2-CB 4.35Å; I538-R603 HydrophobicContact CD1-CB 3.99Å; I538-R603 HydrophobicContact CD1-CG 3.74Å |
| 539 | A | 94 | Very high | 91.8 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | trans | -140.7 | 141.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y541 Q544 V545 L548 K562 S563 | A539-Y541 VanDerWaalsContact C-N 3.25Å; A539-Y541 PolarHBondContact O-N 3.49Å; A539-Q544 HydrophobicContact CB-CB 3.95Å; A539-Q544 HydrophobicContact CB-CG 3.72Å; A539-V545 HydrophobicContact CB-CG2 3.99Å; A539-L548 HydrophobicContact CB-CD1 4.16Å; A539-K562 PolarHBondContact N-O 3.48Å; A539-S563 VanDerWaalsContact O-CA 3.29Å; A539-S563 WeakPolarHBondContact O-CA 3.03Å | ||
| 540 | P | 89.4 | Confident | 91.3 | Very high | 6 Ų | 6 | 37.6 Ų | 37.6 | 4% | 0.039 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -66.8 | -25.5 | -179.2 | -2.1 | 7.8 | 0 | 0 | 0 | 113.6 | S578 F590 L591 | P540-S578 WeakPolarHBondContact CD-O 3.45Å; P540-F590 HydrophobicContact CB-CD1 4.19Å; P540-F590 HydrophobicContact CB-CE1 4.43Å; P540-F590 WeakPolarHBondContact O-CE1 3.34Å; P540-L591 HydrophobicContact CB-CD2 4.13Å; P540-L591 HydrophobicContact CG-CD2 3.32Å; P540-L591 HydrophobicContact CG-CG 4.43Å |
| 541 | Y | 87.4 | Confident | 91 | Very high | 14 Ų | 14 | 40.5 Ų | 40.5 | 6% | 0.055 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -106 | 129 | -172.2 | -64.2 | -82.4 | 0 | 0 | 0 | 112.4 | K509 A539 L543 Q544 V545 V580 R581 V588 F590 L591 | K509-Y541 HydrophobicContact CB-CD1 3.87Å; K509-Y541 HydrophobicContact CB-CD2 4.15Å; K509-Y541 HydrophobicContact CB-CE1 4.07Å; K509-Y541 HydrophobicContact CB-CE2 4.34Å; K509-Y541 HydrophobicContact CB-CG 3.9Å; K509-Y541 HydrophobicContact CG-CD1 4.17Å; K509-Y541 HydrophobicContact CG-CE1 3.93Å; K509-Y541 WeakPolarHBondContact O-CB 3.4Å; A539-Y541 VanDerWaalsContact C-N 3.25Å; A539-Y541 PolarHBondContact O-N 3.49Å; Y541-L543 VanDerWaalsContact C-N 3.31Å; Y541-L543 PolarHBondContact O-N 3.02Å; Y541-Q544 WeakPolarHBondContact O-CB 3.36Å; Y541-Q544 PolarHBondContact O-N 2.8Å; Y541-Q544 VanDerWaalsContact O-N 3.07Å; Y541-V545 WeakPolarHBondContact O-CG2 3.38Å; Y541-V545 PolarHBondContact O-N 3.38Å; Y541-V545 VanDerWaalsContact O-N 3.1Å; Y541-V580 HydrophobicContact CD2-CB 3.8Å; Y541-V580 HydrophobicContact CD2-CG1 4.22Å; Y541-V580 HydrophobicContact CD2-CG2 3.87Å; Y541-V580 HydrophobicContact CE2-CB 4.28Å; Y541-R581 HydrophobicContact CE2-CG 3.94Å; Y541-R581 WeakPolarHBondContact OH-CD 3.36Å; Y541-V588 PolarHBondContact OH-O 3.45Å; Y541-F590 HydrophobicContact CE1-CB 3.98Å; Y541-F590 HydrophobicContact CE1-CD1 4.44Å; Y541-L591 HydrophobicContact CE2-CG 4.45Å |
| 542 | N | 84.6 | Confident | 90.7 | Very high | 102 Ų | 102 | 35.4 Ų | 35.4 | 55% | 0.545 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -57.8 | -39.3 | -178.6 | -68.6 | -34.7 | 0 | 0 | 0 | 113.2 | S508 Q544 V545 D546 | S508-N542 PolarHBondContact OG-N 3.47Å; N542-Q544 PolarHBondContact O-N 2.81Å; N542-V545 WeakPolarHBondContact O-CB 3.45Å; N542-V545 PolarHBondContact O-N 2.95Å; N542-D546 PolarHBondContact O-N 3.05Å |
| 543 | L | 86.6 | Confident | 90.2 | Very high | 46 Ų | 46 | 37 Ų | 37 | 24% | 0.241 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.4 | -43.2 | 175.6 | 173 | 66.3 | 0 | 0 | 0 | 112.1 | I503 S508 Y541 V545 D546 L547 | I503-L543 HydrophobicContact CD1-CD2 3.23Å; S508-L543 PolarHBondContact OG-N 2.77Å; S508-L543 VanDerWaalsContact OG-N 3.12Å; Y541-L543 VanDerWaalsContact C-N 3.31Å; Y541-L543 PolarHBondContact O-N 3.02Å; L543-V545 VanDerWaalsContact C-N 3.33Å; L543-V545 PolarHBondContact O-N 3.42Å; L543-D546 PolarHBondContact O-N 3.15Å; L543-L547 HydrophobicContact CD1-CG 4.36Å; L543-L547 HydrophobicContact CG-CD1 4.31Å; L543-L547 WeakPolarHBondContact O-CG 3.35Å; L543-L547 PolarHBondContact O-N 3.31Å |
| 544 | Q | 91.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.1 | -42.4 | 175.4 | -172.8 | 74.8 | -20.8 | 0 | 0 | 111.6 | K509 N511 A539 Y541 N542 D546 L547 L548 S578 V580 | K509-Q544 PolarHBondContact O-N 3.43Å; N511-Q544 PolarHBondContact O-NE2 3.18Å; N511-Q544 VanDerWaalsContact O-NE2 3.09Å; N511-Q544 PolarHBondContact O-OE1 3.41Å; A539-Q544 HydrophobicContact CB-CB 3.95Å; A539-Q544 HydrophobicContact CB-CG 3.72Å; Y541-Q544 WeakPolarHBondContact O-CB 3.36Å; Y541-Q544 PolarHBondContact O-N 2.8Å; Y541-Q544 VanDerWaalsContact O-N 3.07Å; N542-Q544 PolarHBondContact O-N 2.81Å; Q544-D546 VanDerWaalsContact C-N 3.25Å; Q544-D546 PolarHBondContact O-N 3.26Å; Q544-L547 PolarHBondContact O-N 2.78Å; Q544-L548 HydrophobicContact CG-CD1 3.97Å; Q544-L548 HydrophobicContact CG-CG 4.39Å; Q544-L548 WeakPolarHBondContact O-CB 3.44Å; Q544-L548 WeakPolarHBondContact O-CD1 3.49Å; Q544-L548 VanDerWaalsContact O-CG 3.23Å; Q544-L548 WeakPolarHBondContact O-CG 3.42Å; Q544-L548 PolarHBondContact O-N 3.4Å; Q544-S578 PolarHBondContact NE2-OG 2.69Å; Q544-V580 HydrophobicContact CB-CG1 4.44Å; Q544-V580 HydrophobicContact CB-CG2 3.64Å; Q544-V580 HydrophobicContact CG-CG2 3.49Å; Q544-V580 VanDerWaalsContact CG-CG2 3.49Å |
| 545 | V | 88.6 | Confident | 89.1 | Confident | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.012 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.3 | -40.8 | 175.2 | 174.7 | 0 | 0 | 0 | 0 | 110.9 | A539 Y541 N542 L543 R549 I561 K562 | A539-V545 HydrophobicContact CB-CG2 3.99Å; Y541-V545 WeakPolarHBondContact O-CG2 3.38Å; Y541-V545 PolarHBondContact O-N 3.38Å; Y541-V545 VanDerWaalsContact O-N 3.1Å; N542-V545 WeakPolarHBondContact O-CB 3.45Å; N542-V545 PolarHBondContact O-N 2.95Å; L543-V545 VanDerWaalsContact C-N 3.33Å; L543-V545 PolarHBondContact O-N 3.42Å; V545-R549 WeakPolarHBondContact O-CB 3.32Å; V545-R549 VanDerWaalsContact O-CG 3.24Å; V545-R549 WeakPolarHBondContact O-CG 3.36Å; V545-R549 PolarHBondContact O-N 3.18Å; V545-I561 HydrophobicContact CG1-CG2 4.25Å; V545-K562 VanDerWaalsContact CG2-C 3.48Å |
| 546 | D | 85.1 | Confident | 88.6 | Confident | 68 Ų | 68 | 44.3 Ų | 44.3 | 36% | 0.364 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -74.1 | -37.2 | 179.1 | -68.4 | -26 | 0 | 0 | 0 | 113.1 | N542 L543 Q544 R549 Q550 | N542-D546 PolarHBondContact O-N 3.05Å; L543-D546 PolarHBondContact O-N 3.15Å; Q544-D546 VanDerWaalsContact C-N 3.25Å; Q544-D546 PolarHBondContact O-N 3.26Å; D546-R549 PolarHBondContact O-N 3.06Å; D546-R549 IonicContact OD1-CZ 3.18Å; D546-R549 IonicContact OD1-NH1 2.71Å; D546-R549 PolarHBondContact OD1-NH1 3.25Å; D546-Q550 VanDerWaalsContact O-CG 3.29Å; D546-Q550 WeakPolarHBondContact O-CG 3.25Å; D546-Q550 PolarHBondContact O-N 3.22Å |
| 547 | L | 88.1 | Confident | 87.8 | Confident | 24 Ų | 24 | 49.6 Ų | 49.6 | 13% | 0.126 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62 | -44.2 | 171.1 | -68.2 | 172 | 0 | 0 | 0 | 111.5 | M501 V515 L543 Q544 Q550 K551 | M501-L547 HydrophobicContact SD-CD1 4.01Å; V515-L547 HydrophobicContact CG2-CB 3.84Å; L543-L547 HydrophobicContact CD1-CG 4.36Å; L543-L547 HydrophobicContact CG-CD1 4.31Å; L543-L547 WeakPolarHBondContact O-CG 3.35Å; L543-L547 PolarHBondContact O-N 3.31Å; Q544-L547 PolarHBondContact O-N 2.78Å; L547-Q550 PolarHBondContact O-N 2.96Å; L547-K551 PolarHBondContact O-N 2.85Å; L547-K551 VanDerWaalsContact O-N 3.15Å |
| 548 | L | 90.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.4 | -45.6 | 174.8 | -73.2 | 165.6 | 0 | 0 | 0 | 111.3 | V515 V518 V537 A539 Q544 K551 L552 I561 | V515-L548 HydrophobicContact CB-CD2 4.31Å; V515-L548 HydrophobicContact CG1-CD2 4.28Å; V515-L548 HydrophobicContact CG2-CD2 4.03Å; V515-L548 HydrophobicContact CG2-CG 4.09Å; V518-L548 HydrophobicContact CB-CD2 4.06Å; V518-L548 HydrophobicContact CG1-CD2 3.69Å; V537-L548 HydrophobicContact CG1-CD1 3.71Å; V537-L548 HydrophobicContact CG1-CD2 4.23Å; V537-L548 HydrophobicContact CG1-CG 4.5Å; A539-L548 HydrophobicContact CB-CD1 4.16Å; Q544-L548 HydrophobicContact CG-CD1 3.97Å; Q544-L548 HydrophobicContact CG-CG 4.39Å; Q544-L548 WeakPolarHBondContact O-CB 3.44Å; Q544-L548 WeakPolarHBondContact O-CD1 3.49Å; Q544-L548 VanDerWaalsContact O-CG 3.23Å; Q544-L548 WeakPolarHBondContact O-CG 3.42Å; Q544-L548 PolarHBondContact O-N 3.4Å; L548-K551 PolarHBondContact O-N 2.89Å; L548-L552 HydrophobicContact CB-CD1 4.45Å; L548-L552 HydrophobicContact CD2-CD1 4.04Å; L548-L552 VanDerWaalsContact O-CB 3.25Å; L548-L552 WeakPolarHBondContact O-CB 3.49Å; L548-L552 WeakPolarHBondContact O-CG 3.2Å; L548-L552 PolarHBondContact O-N 2.93Å; L548-I561 HydrophobicContact CB-CG2 3.67Å; L548-I561 HydrophobicContact CD1-CG2 4.38Å |
| 549 | R | 87.8 | Confident | 86.9 | Confident | 99 Ų | 99 | 56.3 Ų | 56.3 | 37% | 0.374 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.8 | -47.6 | 175.4 | -75.7 | 167 | -177.6 | 160.8 | -1.8 | 112.4 | V545 D546 K551 L552 S553 I561 | V545-R549 WeakPolarHBondContact O-CB 3.32Å; V545-R549 VanDerWaalsContact O-CG 3.24Å; V545-R549 WeakPolarHBondContact O-CG 3.36Å; V545-R549 PolarHBondContact O-N 3.18Å; D546-R549 PolarHBondContact O-N 3.06Å; D546-R549 IonicContact OD1-CZ 3.18Å; D546-R549 IonicContact OD1-NH1 2.71Å; D546-R549 PolarHBondContact OD1-NH1 3.25Å; R549-K551 PolarHBondContact O-N 3Å; R549-L552 PolarHBondContact O-N 3.08Å; R549-S553 WeakPolarHBondContact CA-OG 3.31Å; R549-S553 VanDerWaalsContact O-CB 3.23Å; R549-S553 WeakPolarHBondContact O-CB 3.47Å; R549-S553 PolarHBondContact O-N 2.89Å; R549-S553 PolarHBondContact O-OG 2.98Å; R549-I561 HydrophobicContact CG-CB 3.95Å; R549-I561 HydrophobicContact CG-CD1 4.29Å; R549-I561 HydrophobicContact CG-CG2 3.93Å; R549-I561 PolarHBondContact NE-O 2.96Å; R549-I561 VanDerWaalsContact NE-O 3.13Å; R549-I561 PolarHBondContact NH2-O 3.43Å |
| 550 | Q | 86.4 | Confident | 86.6 | Confident | 156 Ų | 156 | 58.1 Ų | 58.1 | 73% | 0.729 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -57 | -38.1 | 178.6 | -74.4 | 174.1 | 29.6 | 0 | 0 | 111.9 | D546 L547 | D546-Q550 VanDerWaalsContact O-CG 3.29Å; D546-Q550 WeakPolarHBondContact O-CG 3.25Å; D546-Q550 PolarHBondContact O-N 3.22Å; L547-Q550 PolarHBondContact O-N 2.96Å |
| 551 | K | 88.8 | Confident | 86.6 | Confident | 67 Ų | 67 | 58.3 Ų | 58.3 | 29% | 0.291 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -81.4 | -36.9 | 179.7 | -166.6 | 172.2 | -174.9 | -176.4 | 0 | 114.1 | V515 D516 L547 L548 R549 | V515-K551 HydrophobicContact CG1-CB 4.11Å; V515-K551 HydrophobicContact CG1-CD 3.67Å; D516-K551 IonicContact OD1-NZ 3.6Å; D516-K551 PolarHBondContact OD1-NZ 3.27Å; L547-K551 PolarHBondContact O-N 2.85Å; L547-K551 VanDerWaalsContact O-N 3.15Å; L548-K551 PolarHBondContact O-N 2.89Å; R549-K551 PolarHBondContact O-N 3Å |
| 552 | L | 89.1 | Confident | 86.6 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -107.1 | -34 | -165.4 | -66.6 | 164.8 | 0 | 0 | 0 | 114.8 | V518 I522 L548 R549 A554 R555 H556 M559 I561 | V518-L552 HydrophobicContact CG1-CD1 4.39Å; I522-L552 HydrophobicContact CD1-CD1 3.65Å; I522-L552 HydrophobicContact CD1-CD2 4.24Å; L548-L552 HydrophobicContact CB-CD1 4.45Å; L548-L552 HydrophobicContact CD2-CD1 4.04Å; L548-L552 VanDerWaalsContact O-CB 3.25Å; L548-L552 WeakPolarHBondContact O-CB 3.49Å; L548-L552 WeakPolarHBondContact O-CG 3.2Å; L548-L552 PolarHBondContact O-N 2.93Å; R549-L552 PolarHBondContact O-N 3.08Å; L552-A554 PolarHBondContact O-N 2.94Å; L552-A554 VanDerWaalsContact O-N 3.17Å; L552-R555 PolarHBondContact O-N 2.55Å; L552-H556 PolarHBondContact O-N 3.32Å; L552-M559 HydrophobicContact CB-CE 3.74Å; L552-M559 HydrophobicContact CD1-CE 3.92Å; L552-M559 HydrophobicContact CD2-CE 4.38Å; L552-M559 HydrophobicContact CG-CE 4.23Å; L552-I561 HydrophobicContact CB-CD1 3.69Å; L552-I561 HydrophobicContact CD1-CD1 4.16Å |
| 553 | S | 82.7 | Confident | 86.8 | Confident | 50 Ų | 50 | 56 Ų | 56 | 35% | 0.35 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -26.7 | -172.6 | -63.1 | 0 | 0 | 0 | 0 | 113.4 | R549 R555 P557 | R549-S553 WeakPolarHBondContact CA-OG 3.31Å; R549-S553 VanDerWaalsContact O-CB 3.23Å; R549-S553 WeakPolarHBondContact O-CB 3.47Å; R549-S553 PolarHBondContact O-N 2.89Å; R549-S553 PolarHBondContact O-OG 2.98Å; S553-R555 VanDerWaalsContact C-N 3.32Å; S553-P557 WeakPolarHBondContact O-CA 3.38Å |
| 554 | A | 81.2 | Confident | 86.8 | Confident | 97 Ų | 97 | 54 Ų | 54 | 80% | 0.802 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -22.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | L552 | L552-A554 PolarHBondContact O-N 2.94Å; L552-A554 VanDerWaalsContact O-N 3.17Å |
| 555 | R | 84.8 | Confident | 86.4 | Confident | 164 Ų | 164 | 56.3 Ų | 56.3 | 62% | 0.619 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | -35.2 | 177.9 | -65.7 | -179.2 | 178.5 | 176.8 | -0.5 | 112.4 | L552 S553 | L552-R555 PolarHBondContact O-N 2.55Å; S553-R555 VanDerWaalsContact C-N 3.32Å |
| 556 | H | 86.3 | Confident | 85.9 | Confident | 35 Ų | 35 | 57.9 Ų | 57.9 | 16% | 0.162 | 31% | 0.306 | C | S | . | . | trans | -133.9 | 73.7 | -173.8 | -54.8 | -67 | 0 | 0 | 0 | 110.3 | A532 L552 E558 M559 | A532-H556 HydrophobicContact CB-CB 4.06Å; L552-H556 PolarHBondContact O-N 3.32Å; H556-E558 PolarHBondContact O-N 3.11Å; H556-M559 HydrophobicContact CB-CB 3.93Å; H556-M559 HydrophobicContact CB-CE 4.22Å; H556-M559 WeakPolarHBondContact O-CB 3.3Å; H556-M559 PolarHBondContact O-N 2.79Å; H556-M559 VanDerWaalsContact O-N 3.16Å | ||
| 557 | P | 79 | Confident | 85.7 | Confident | 111 Ų | 111 | 54.7 Ų | 54.7 | 72% | 0.721 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -21.8 | -174.6 | 26.6 | -35.5 | 0 | 0 | 0 | 114 | S553 | S553-P557 WeakPolarHBondContact O-CA 3.38Š|
| 558 | E | 83.9 | Confident | 85.2 | Confident | 131 Ų | 131 | 55.1 Ų | 55.1 | 61% | 0.612 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -11.1 | 176.3 | -58.4 | -172 | 161.5 | 0 | 0 | 113.9 | K533 H556 | K533-E558 HydrophobicContact CB-CB 4.12Å; H556-E558 PolarHBondContact O-N 3.11Å |
| 559 | M | 89.4 | Confident | 84.2 | Confident | 10 Ų | 10 | 57.4 Ų | 57.4 | 5% | 0.049 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -80.2 | 133.9 | -175.7 | -173.6 | 173.7 | 67.1 | 0 | 0 | 111.3 | I522 A532 I535 V537 L552 H556 I561 | I522-M559 HydrophobicContact CD1-CE 3.92Å; I522-M559 HydrophobicContact CD1-SD 4.01Å; I522-M559 HydrophobicContact CG1-SD 4.39Å; I522-M559 HydrophobicContact CG2-CE 4.25Å; I522-M559 HydrophobicContact CG2-SD 3.78Å; A532-M559 HydrophobicContact CB-CB 4.36Å; A532-M559 WeakPolarHBondContact O-CA 3.46Å; I535-M559 HydrophobicContact CB-CG 4.37Å; I535-M559 HydrophobicContact CB-SD 4.33Å; I535-M559 HydrophobicContact CG2-CG 4.45Å; I535-M559 HydrophobicContact CG2-SD 4.01Å; V537-M559 HydrophobicContact CG2-CE 3.88Å; V537-M559 HydrophobicContact CG2-SD 3.92Å; L552-M559 HydrophobicContact CB-CE 3.74Å; L552-M559 HydrophobicContact CD1-CE 3.92Å; L552-M559 HydrophobicContact CD2-CE 4.38Å; L552-M559 HydrophobicContact CG-CE 4.23Å; H556-M559 HydrophobicContact CB-CB 3.93Å; H556-M559 HydrophobicContact CB-CE 4.22Å; H556-M559 WeakPolarHBondContact O-CB 3.3Å; H556-M559 PolarHBondContact O-N 2.79Å; H556-M559 VanDerWaalsContact O-N 3.16Å; M559-I561 HydrophobicContact CE-CD1 3.81Å; M559-I561 HydrophobicContact CE-CG1 4Å; M559-I561 PolarHBondContact O-N 2.74Å |
| 560 | E | 87.6 | Confident | 84.1 | Confident | 38 Ų | 38 | 57.4 Ų | 57.4 | 18% | 0.178 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 116.6 | -179.4 | -67.3 | -169.1 | -124.5 | 0 | 0 | 111.8 | A536 V537 K562 F567 R570 K572 | A536-E560 CarbonylContact C-O 3.18Å; A536-E560 VanDerWaalsContact CA-O 3.32Å; A536-E560 WeakPolarHBondContact CA-O 3.45Å; A536-E560 HydrophobicContact CB-CB 4.37Å; V537-E560 PolarHBondContact N-O 3.11Å; E560-K562 VanDerWaalsContact OE2-CE 3.28Å; E560-K562 WeakPolarHBondContact OE2-CE 3.43Å; E560-K562 IonicContact OE2-NZ 3.77Å; E560-K562 PolarHBondContact OE2-NZ 3.3Å; E560-F567 HydrophobicContact CB-CE2 3.79Å; E560-R570 IonicContact OE1-NH1 3.17Å; E560-R570 IonicContact OE2-CZ 2.69Å; E560-R570 IonicContact OE2-NE 3.23Å; E560-R570 IonicContact OE2-NH1 3.01Å; E560-R570 PolarHBondContact OE2-NH1 3.29Å; E560-K572 WeakPolarHBondContact OE1-CE 3.18Å; E560-K572 IonicContact OE1-NZ 3.25Å; E560-K572 PolarHBondContact OE1-NZ 3.1Å |
| 561 | I | 90.3 | Very high | 84.4 | Confident | 9 Ų | 9 | 53.8 Ų | 53.8 | 5% | 0.046 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 111.4 | 176.5 | -52.1 | 173.7 | 0 | 0 | 0 | 109.1 | V537 V545 L548 R549 L552 M559 | V537-I561 HydrophobicContact CB-CG1 4.16Å; V537-I561 HydrophobicContact CB-CG2 4.27Å; V537-I561 HydrophobicContact CG2-CG1 4.17Å; V537-I561 WeakPolarHBondContact O-CA 3.2Å; V545-I561 HydrophobicContact CG1-CG2 4.25Å; L548-I561 HydrophobicContact CB-CG2 3.67Å; L548-I561 HydrophobicContact CD1-CG2 4.38Å; R549-I561 HydrophobicContact CG-CB 3.95Å; R549-I561 HydrophobicContact CG-CD1 4.29Å; R549-I561 HydrophobicContact CG-CG2 3.93Å; R549-I561 PolarHBondContact NE-O 2.96Å; R549-I561 VanDerWaalsContact NE-O 3.13Å; R549-I561 PolarHBondContact NH2-O 3.43Å; L552-I561 HydrophobicContact CB-CD1 3.69Å; L552-I561 HydrophobicContact CD1-CD1 4.16Å; M559-I561 HydrophobicContact CE-CD1 3.81Å; M559-I561 HydrophobicContact CE-CG1 4Å; M559-I561 PolarHBondContact O-N 2.74Å |
| 562 | K | 87.8 | Confident | 84.7 | Confident | 45 Ų | 45 | 52.2 Ų | 52.2 | 20% | 0.196 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 166.8 | -171.5 | -56.4 | -167.1 | -173.1 | -177.9 | 0 | 113.8 | V537 I538 A539 V545 E560 G566 F567 | V537-K562 PolarHBondContact O-N 2.95Å; V537-K562 VanDerWaalsContact O-N 3.08Å; I538-K562 WeakPolarHBondContact CA-O 3.47Å; A539-K562 PolarHBondContact N-O 3.48Å; V545-K562 VanDerWaalsContact CG2-C 3.48Å; E560-K562 VanDerWaalsContact OE2-CE 3.28Å; E560-K562 WeakPolarHBondContact OE2-CE 3.43Å; E560-K562 IonicContact OE2-NZ 3.77Å; E560-K562 PolarHBondContact OE2-NZ 3.3Å; K562-G566 WeakPolarHBondContact CD-O 3.5Å; K562-F567 HydrophobicContact CB-CD2 4.17Å; K562-F567 HydrophobicContact CD-CD2 4.05Å; K562-F567 HydrophobicContact CG-CD2 4.29Å |
| 563 | S | 88.4 | Confident | 85.1 | Confident | 24 Ų | 24 | 53.4 Ų | 53.4 | 17% | 0.168 | 30% | 0.296 | C | S | . | . | trans | -69.3 | 160.6 | 161.2 | 59.7 | 0 | 0 | 0 | 0 | 111.2 | A539 D565 G566 F567 | A539-S563 VanDerWaalsContact O-CA 3.29Å; A539-S563 WeakPolarHBondContact O-CA 3.03Å; S563-D565 VanDerWaalsContact C-N 3.32Å; S563-D565 PolarHBondContact O-N 3.15Å; S563-G566 CarbonylContact O-C 3.48Å; S563-G566 PolarHBondContact O-N 3.08Å; S563-G566 VanDerWaalsContact O-N 3.12Å; S563-G566 PolarHBondContact OG-N 3.12Å; S563-F567 PolarHBondContact O-N 3.29Å | ||
| 564 | V | 87.1 | Confident | 85.8 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.012 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -55.3 | -49.8 | 177 | -175.9 | 0 | 0 | 0 | 0 | 110.9 | L404 I538 G566 F567 Q568 R596 V599 A600 | L404-V564 HydrophobicContact CD1-CG1 4.49Å; I538-V564 HydrophobicContact CG2-CB 4.26Å; I538-V564 HydrophobicContact CG2-CG2 3.56Å; V564-G566 VanDerWaalsContact C-N 3.26Å; V564-G566 PolarHBondContact O-N 3.36Å; V564-F567 WeakPolarHBondContact O-CA 3.34Å; V564-F567 WeakPolarHBondContact O-CB 3.25Å; V564-F567 PolarHBondContact O-N 3.06Å; V564-Q568 PolarHBondContact O-N 3.18Å; V564-R596 HydrophobicContact CB-CG 3.69Å; V564-R596 HydrophobicContact CG1-CG 3.67Å; V564-R596 WeakPolarHBondContact CG1-O 3.36Å; V564-R596 HydrophobicContact CG2-CG 3.8Å; V564-V599 HydrophobicContact CG1-CB 3.99Å; V564-V599 HydrophobicContact CG1-CG1 3.67Å; V564-A600 HydrophobicContact CG1-CB 4.03Å; V564-A600 HydrophobicContact CG2-CB 3.95Å |
| 565 | D | 82.8 | Confident | 86.6 | Confident | 49 Ų | 49 | 46.4 Ų | 46.4 | 26% | 0.262 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -57.6 | -38.5 | 177.4 | -53.4 | -120.2 | 0 | 0 | 0 | 111.5 | L404 S563 F567 R596 | L404-D565 HydrophobicContact CD1-CB 4.07Å; S563-D565 VanDerWaalsContact C-N 3.32Å; S563-D565 PolarHBondContact O-N 3.15Å; D565-F567 PolarHBondContact O-N 3.25Å; D565-R596 IonicContact OD1-NH2 3.6Å; D565-R596 IonicContact OD2-NE 3.83Å; D565-R596 PolarHBondContact OD2-NE 2.98Å |
| 566 | G | 76.8 | Confident | 87.3 | Confident | 36 Ų | 36 | 38.6 Ų | 38.6 | 37% | 0.371 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -72.9 | -7.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | K562 S563 V564 | K562-G566 WeakPolarHBondContact CD-O 3.5Å; S563-G566 CarbonylContact O-C 3.48Å; S563-G566 PolarHBondContact O-N 3.08Å; S563-G566 VanDerWaalsContact O-N 3.12Å; S563-G566 PolarHBondContact OG-N 3.12Å; V564-G566 VanDerWaalsContact C-N 3.26Å; V564-G566 PolarHBondContact O-N 3.36Å |
| 567 | F | 80.9 | Confident | 87.8 | Confident | 1 Ų | 1 | 37 Ų | 37 | 0% | 0.004 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -109.5 | 0.2 | 179.9 | -141.7 | -88.9 | 0 | 0 | 0 | 113.8 | A536 I538 E560 K562 S563 V564 D565 R570 K572 R603 | A536-F567 HydrophobicContact CB-CD2 4.42Å; A536-F567 HydrophobicContact CB-CE1 4.2Å; A536-F567 HydrophobicContact CB-CE2 3.45Å; A536-F567 VanDerWaalsContact CB-CE2 3.45Å; A536-F567 HydrophobicContact CB-CZ 3.32Å; I538-F567 HydrophobicContact CD1-CB 4.18Å; I538-F567 HydrophobicContact CD1-CD1 3.9Å; I538-F567 HydrophobicContact CD1-CD2 4.43Å; I538-F567 HydrophobicContact CD1-CE1 4.47Å; I538-F567 HydrophobicContact CD1-CG 3.89Å; I538-F567 HydrophobicContact CG1-CD2 4.41Å; I538-F567 HydrophobicContact CG1-CG 4.31Å; E560-F567 HydrophobicContact CB-CE2 3.79Å; K562-F567 HydrophobicContact CB-CD2 4.17Å; K562-F567 HydrophobicContact CD-CD2 4.05Å; K562-F567 HydrophobicContact CG-CD2 4.29Å; S563-F567 PolarHBondContact O-N 3.29Å; V564-F567 WeakPolarHBondContact O-CA 3.34Å; V564-F567 WeakPolarHBondContact O-CB 3.25Å; V564-F567 PolarHBondContact O-N 3.06Å; D565-F567 PolarHBondContact O-N 3.25Å; F567-R570 HydrophobicContact CD1-CB 3.66Å; F567-R570 HydrophobicContact CE1-CB 3.49Å; F567-R570 VanDerWaalsContact CE1-CB 3.49Å; F567-R570 HydrophobicContact CG-CB 4.33Å; F567-R570 HydrophobicContact CZ-CB 4.01Å; F567-R570 WeakPolarHBondContact O-CB 3.42Å; F567-R570 PolarHBondContact O-N 2.98Å; F567-R570 VanDerWaalsContact O-N 3.14Å; F567-K572 HydrophobicContact CE1-CG 4.3Å; F567-K572 HydrophobicContact CZ-CG 3.77Å; F567-R603 HydrophobicContact CD1-CB 4.03Å; F567-R603 HydrophobicContact CD1-CG 3.65Å; F567-R603 HydrophobicContact CE1-CB 4.17Å; F567-R603 HydrophobicContact CE1-CG 4.3Å |
| 568 | Q | 77.1 | Confident | 88.7 | Confident | 33 Ų | 33 | 31.7 Ų | 31.7 | 15% | 0.154 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 143 | 176.7 | -170.5 | 166.5 | 1.2 | 0 | 0 | 111.6 | V564 R570 | V564-Q568 PolarHBondContact O-N 3.18Å; Q568-R570 PolarHBondContact O-N 3.14Å |
| 569 | G | 71.1 | Confident | 89.2 | Confident | 48 Ų | 48 | 25.5 Ų | 25.5 | 50% | 0.495 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.9 | -3.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 570 | R | 84.8 | Confident | 89.4 | Confident | 99 Ų | 99 | 25 Ų | 25 | 37% | 0.374 | 14% | 0.139 | S | C | . | . | trans | -100.1 | 171.3 | 176.3 | -56.3 | -179.9 | -177.3 | -117.2 | -22.3 | 111.9 | E560 F567 Q568 R603 | E560-R570 IonicContact OE1-NH1 3.17Å; E560-R570 IonicContact OE2-CZ 2.69Å; E560-R570 IonicContact OE2-NE 3.23Å; E560-R570 IonicContact OE2-NH1 3.01Å; E560-R570 PolarHBondContact OE2-NH1 3.29Å; F567-R570 HydrophobicContact CD1-CB 3.66Å; F567-R570 HydrophobicContact CE1-CB 3.49Å; F567-R570 VanDerWaalsContact CE1-CB 3.49Å; F567-R570 HydrophobicContact CG-CB 4.33Å; F567-R570 HydrophobicContact CZ-CB 4.01Å; F567-R570 WeakPolarHBondContact O-CB 3.42Å; F567-R570 PolarHBondContact O-N 2.98Å; F567-R570 VanDerWaalsContact O-N 3.14Å; Q568-R570 PolarHBondContact O-N 3.14Å; R570-R603 WeakPolarHBondContact O-CD 3.23Å; R570-R603 PolarHBondContact O-NH1 2.69Å | ||
| 571 | E | 91.9 | Very high | 89.7 | Confident | 80 Ų | 80 | 23.8 Ų | 23.8 | 37% | 0.374 | 13% | 0.132 | S | C | . | . | trans | -154.9 | 158.7 | 173.6 | 57.6 | -175.7 | -122.6 | 0 | 0 | 110.3 | R443 R603 R605 | R443-E571 IonicContact CZ-OE2 3.65Å; R443-E571 IonicContact NE-OE2 3.89Å; R443-E571 PolarHBondContact NE-OE2 3.48Å; R443-E571 IonicContact NH2-OE2 2.74Å; R443-E571 PolarHBondContact NH2-OE2 3.2Å; E571-R603 VanDerWaalsContact CA-O 3.29Å; E571-R603 WeakPolarHBondContact CA-O 3.39Å; E571-R605 IonicContact OE1-NE 3.2Å | ||
| 572 | K | 95.9 | Very high | 89.8 | Confident | 34 Ų | 34 | 23.9 Ų | 23.9 | 15% | 0.148 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 160 | 176.1 | -71.9 | -63.2 | -177.9 | -177 | 0 | 111.5 | K533 A536 E560 F567 A574 V575 R603 A604 R605 | K533-K572 WeakPolarHBondContact O-CD 3.22Å; K533-K572 WeakPolarHBondContact O-CE 3.23Å; K533-K572 PolarHBondContact O-NZ 2.96Å; A536-K572 HydrophobicContact CB-CB 4.32Å; A536-K572 HydrophobicContact CB-CG 3.62Å; E560-K572 WeakPolarHBondContact OE1-CE 3.18Å; E560-K572 IonicContact OE1-NZ 3.25Å; E560-K572 PolarHBondContact OE1-NZ 3.1Å; F567-K572 HydrophobicContact CE1-CG 4.3Å; F567-K572 HydrophobicContact CZ-CG 3.77Å; K572-A574 WeakPolarHBondContact CB-O 3.4Å; K572-V575 HydrophobicContact CB-CG2 4.25Å; K572-R603 PolarHBondContact N-O 3.41Å; K572-A604 CarbonylContact O-C 3.57Å; K572-R605 WeakPolarHBondContact O-CB 3.21Å; K572-R605 WeakPolarHBondContact O-CG 3.45Å; K572-R605 PolarHBondContact O-N 2.83Å |
| 573 | E | 97.4 | Very high | 90 | Very high | 26 Ų | 26 | 23 Ų | 23 | 12% | 0.121 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | -45.7 | 176.1 | -59 | -65.3 | -179.9 | 0 | 0 | 111 | L472 L475 D534 R605 R606 H607 | L472-E573 HydrophobicContact CD2-CB 4.09Å; L475-E573 HydrophobicContact CD1-CB 3.96Å; L475-E573 HydrophobicContact CD1-CG 4.02Å; L475-E573 HydrophobicContact CD2-CG 4.34Å; D534-E573 HydrophobicContact CB-CB 4.26Å; D534-E573 HydrophobicContact CB-CG 4.07Å; D534-E573 PolarHBondContact O-N 3.3Å; D534-E573 VanDerWaalsContact O-N 3.09Å; E573-R605 IonicContact OE1-CZ 3.51Å; E573-R605 IonicContact OE1-NH1 3.82Å; E573-R605 PolarHBondContact OE1-NH1 3.1Å; E573-R605 IonicContact OE1-NH2 2.72Å; E573-R605 IonicContact OE2-CZ 2.69Å; E573-R605 IonicContact OE2-NE 3.5Å; E573-R605 IonicContact OE2-NH1 3.62Å; E573-R606 PolarHBondContact O-N 3.45Å; E573-R606 WeakPolarHBondContact OE2-CD 3.46Å; E573-R606 IonicContact OE2-NE 3.12Å; E573-R606 PolarHBondContact OE2-NE 3.18Å; E573-H607 PolarHBondContact O-N 3.32Å |
| 574 | A | 97.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 139.5 | 173 | 0 | 0 | 0 | 0 | 0 | 112 | L472 L525 D534 I535 A536 K572 H607 | L472-A574 HydrophobicContact CD1-CB 4.12Å; L472-A574 HydrophobicContact CD2-CB 4.07Å; L525-A574 HydrophobicContact CD1-CB 4.31Å; D534-A574 PolarHBondContact O-N 3.38Å; D534-A574 VanDerWaalsContact O-N 3.14Å; I535-A574 WeakPolarHBondContact CA-O 3.44Å; I535-A574 HydrophobicContact CG1-CB 4.26Å; A536-A574 PolarHBondContact N-O 3.44Å; K572-A574 WeakPolarHBondContact CB-O 3.4Å; A574-H607 WeakPolarHBondContact CA-O 3.44Å |
| 575 | V | 98.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 134.9 | 171.1 | 173.7 | 0 | 0 | 0 | 0 | 110 | A536 I538 K572 R603 A604 H607 I608 A609 | A536-V575 CarbonylContact O-C 3.58Å; A536-V575 WeakPolarHBondContact O-CA 3.3Å; I538-V575 HydrophobicContact CD1-CG1 3.74Å; I538-V575 HydrophobicContact CG1-CG1 4.07Å; K572-V575 HydrophobicContact CB-CG2 4.25Å; V575-R603 HydrophobicContact CG2-CB 4Å; V575-A604 HydrophobicContact CB-CB 4.07Å; V575-A604 HydrophobicContact CG2-CB 4.02Å; V575-H607 PolarHBondContact N-O 2.89Å; V575-I608 WeakPolarHBondContact O-CA 3.42Å; V575-A609 PolarHBondContact O-N 3.05Å |
| 576 | V | 98.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 117.5 | 171.5 | -170.5 | 0 | 0 | 0 | 0 | 108.7 | V518 I522 A536 V537 I538 A609 V611 | V518-V576 HydrophobicContact CB-CG1 4.4Å; V518-V576 HydrophobicContact CG1-CG1 3.97Å; V518-V576 HydrophobicContact CG2-CG1 3.93Å; I522-V576 HydrophobicContact CG1-CG2 4.26Å; A536-V576 PolarHBondContact O-N 3.07Å; V537-V576 CarbonylContact C-O 3.56Å; V537-V576 WeakPolarHBondContact CA-O 3.23Å; I538-V576 PolarHBondContact N-O 3.3Å; V576-A609 CarbonylContact C-O 3.49Å; V576-A609 WeakPolarHBondContact CA-O 3.45Å; V576-A609 HydrophobicContact CG1-CB 4.27Å; V576-A609 HydrophobicContact CG2-CB 4.43Å; V576-V611 HydrophobicContact CG1-CG2 4.36Å |
| 577 | L | 97.8 | Very high | 90.6 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 122.5 | -177.4 | 178.2 | 57.7 | 0 | 0 | 0 | 110.2 | I538 L579 A600 A609 V610 V611 | I538-L577 HydrophobicContact CB-CD1 4.21Å; I538-L577 HydrophobicContact CG2-CD1 4.06Å; I538-L577 WeakPolarHBondContact O-CA 3.42Å; I538-L577 WeakPolarHBondContact O-CD1 3.43Å; L577-L579 HydrophobicContact CD1-CD2 4.11Å; L577-L579 HydrophobicContact CD2-CD2 3.84Å; L577-L579 HydrophobicContact CG-CD2 3.75Å; L577-A600 HydrophobicContact CD1-CB 4.07Å; L577-A600 HydrophobicContact CD2-CB 4.04Å; L577-A609 PolarHBondContact N-O 2.95Å; L577-V610 HydrophobicContact CB-CG2 4.33Å; L577-V610 HydrophobicContact CD2-CG2 4.29Å; L577-V610 WeakPolarHBondContact O-CA 3.42Å; L577-V611 PolarHBondContact O-N 3.12Å |
| 578 | S | 97.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 118.3 | 173 | 164.5 | 0 | 0 | 0 | 0 | 109.1 | E514 I538 P540 Q544 | E514-S578 WeakPolarHBondContact OE2-CB 3.49Å; E514-S578 PolarHBondContact OE2-OG 2.77Å; I538-S578 PolarHBondContact O-N 3.46Å; P540-S578 WeakPolarHBondContact CD-O 3.45Å; Q544-S578 PolarHBondContact NE2-OG 2.69Å |
| 579 | L | 95.3 | Very high | 91 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | trans | -85.6 | -16.9 | -177.1 | -62.6 | -169.8 | 0 | 0 | 0 | 113.7 | E514 L577 R581 L591 I597 V610 V611 C612 V617 L623 | E514-L579 PolarHBondContact OE2-N 3.25Å; L577-L579 HydrophobicContact CD1-CD2 4.11Å; L577-L579 HydrophobicContact CD2-CD2 3.84Å; L577-L579 HydrophobicContact CG-CD2 3.75Å; L579-R581 PolarHBondContact O-N 2.98Å; L579-L591 HydrophobicContact CB-CD1 4.18Å; L579-L591 HydrophobicContact CB-CD2 4.4Å; L579-L591 HydrophobicContact CD2-CD2 3.97Å; L579-I597 HydrophobicContact CD2-CD1 4.43Å; L579-V610 HydrophobicContact CD1-CG1 4.1Å; L579-V610 HydrophobicContact CG-CG1 4.16Å; L579-V611 PolarHBondContact N-O 3.41Å; L579-C612 HydrophobicContact CB-CB 3.77Å; L579-C612 HydrophobicContact CD1-CB 3.63Å; L579-C612 HydrophobicContact CG-CB 3.84Å; L579-V617 HydrophobicContact CD1-CG1 3.93Å; L579-V617 HydrophobicContact CD1-CG2 4.08Å; L579-L623 HydrophobicContact CD1-CD2 4.44Å | ||
| 580 | V | 94 | Very high | 91.3 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | 70.8 | -38.3 | 171 | -165.4 | 0 | 0 | 0 | 0 | 115.8 | K509 N511 E514 Y541 Q544 S582 | K509-V580 HydrophobicContact CB-CG1 3.96Å; N511-V580 HydrophobicContact CB-CG1 3.97Å; N511-V580 PolarHBondContact ND2-O 2.94Å; E514-V580 VanDerWaalsContact CD-N 3.32Å; E514-V580 WeakPolarHBondContact OE1-CA 3.38Å; E514-V580 PolarHBondContact OE1-N 3.13Å; E514-V580 WeakPolarHBondContact OE2-CA 3.39Å; E514-V580 PolarHBondContact OE2-N 2.71Å; Y541-V580 HydrophobicContact CD2-CB 3.8Å; Y541-V580 HydrophobicContact CD2-CG1 4.22Å; Y541-V580 HydrophobicContact CD2-CG2 3.87Å; Y541-V580 HydrophobicContact CE2-CB 4.28Å; Q544-V580 HydrophobicContact CB-CG1 4.44Å; Q544-V580 HydrophobicContact CB-CG2 3.64Å; Q544-V580 HydrophobicContact CG-CG2 3.49Å; Q544-V580 VanDerWaalsContact CG-CG2 3.49Å; V580-S582 PolarHBondContact O-N 3.44Å | ||
| 581 | R | 93.2 | Very high | 91.1 | Very high | 12 Ų | 12 | 41.1 Ų | 41.1 | 5% | 0.045 | 20% | 0.195 | C | C | . | . | trans | -76.2 | 110.2 | -171.9 | -59.9 | -54.1 | -58.1 | -85.7 | 6.2 | 111.1 | E500 Y541 L579 N583 E587 V588 L591 T616 | E500-R581 IonicContact OE1-CZ 2.68Å; E500-R581 IonicContact OE1-NE 2.65Å; E500-R581 PolarHBondContact OE1-NE 2.96Å; E500-R581 IonicContact OE1-NH2 3.37Å; E500-R581 PolarHBondContact OE1-NH2 3.24Å; E500-R581 IonicContact OE2-CZ 2.72Å; E500-R581 IonicContact OE2-NE 3.89Å; E500-R581 PolarHBondContact OE2-NE 3.39Å; E500-R581 IonicContact OE2-NH2 2.62Å; E500-R581 PolarHBondContact OE2-NH2 3.07Å; Y541-R581 HydrophobicContact CE2-CG 3.94Å; Y541-R581 WeakPolarHBondContact OH-CD 3.36Å; L579-R581 PolarHBondContact O-N 2.98Å; R581-N583 PolarHBondContact NH2-ND2 2.72Å; R581-E587 PolarHBondContact NH1-O 3.46Å; R581-E587 PolarHBondContact NH2-O 3.33Å; R581-E587 VanDerWaalsContact NH2-O 3.08Å; R581-V588 WeakPolarHBondContact CG-O 3.43Å; R581-V588 PolarHBondContact NH1-O 3.42Å; R581-L591 HydrophobicContact CB-CD1 3.82Å; R581-L591 HydrophobicContact CG-CD1 3.49Å; R581-L591 VanDerWaalsContact CG-CD1 3.49Å; R581-L591 HydrophobicContact CG-CG 4.11Å; R581-T616 HydrophobicContact CB-CG2 4.13Å; R581-T616 WeakPolarHBondContact O-CB 3.08Å; R581-T616 WeakPolarHBondContact O-CG2 3.31Å | ||
| 582 | S | 93.1 | Very high | 90.7 | Very high | 10 Ų | 10 | 39.4 Ų | 39.4 | 7% | 0.07 | 20% | 0.195 | C | C | . | . | trans | -138.5 | 106.9 | 168.5 | 178.4 | 0 | 0 | 0 | 0 | 108.7 | L498 E500 V580 D613 T616 | L498-S582 WeakPolarHBondContact O-CB 3.42Å; E500-S582 WeakPolarHBondContact CG-O 3.37Å; E500-S582 PolarHBondContact N-O 3Å; V580-S582 PolarHBondContact O-N 3.44Å; S582-D613 VanDerWaalsContact CA-OD2 3.31Å; S582-D613 WeakPolarHBondContact CA-OD2 3.46Å; S582-D613 VanDerWaalsContact CB-OD2 3.26Å; S582-D613 WeakPolarHBondContact CB-OD2 3.21Å; S582-D613 PolarHBondContact OG-OD2 3.06Å; S582-T616 WeakPolarHBondContact CA-OG1 3.46Å | ||
| 583 | N | 90.9 | Very high | 90.4 | Very high | 28 Ų | 28 | 40.8 Ų | 40.8 | 15% | 0.15 | 20% | 0.202 | C | C | . | . | trans | -152.6 | 150.1 | -177.5 | 62.5 | 77.4 | 0 | 0 | 0 | 112.7 | E500 R581 K585 G586 E587 T616 | E500-N583 HydrophobicContact CG-CB 4.37Å; E500-N583 PolarHBondContact OE2-ND2 3.08Å; R581-N583 PolarHBondContact NH2-ND2 2.72Å; N583-K585 PolarHBondContact O-N 3.48Å; N583-K585 PolarHBondContact OD1-N 2.97Å; N583-G586 PolarHBondContact O-N 2.9Å; N583-G586 VanDerWaalsContact O-N 3.17Å; N583-G586 PolarHBondContact OD1-N 2.93Å; N583-G586 VanDerWaalsContact OD1-N 3.13Å; N583-E587 PolarHBondContact ND2-O 2.63Å; N583-E587 PolarHBondContact OD1-N 3.44Å; N583-T616 PolarHBondContact N-OG1 2.69Å; N583-T616 PolarHBondContact O-OG1 3.34Å | ||
| 584 | R | 87.2 | Confident | 90.2 | Very high | 262 Ų | 262 | 42 Ų | 42 | 99% | 0.989 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -7.1 | -176.8 | -63.1 | -176.9 | -178.8 | 179.9 | 0.2 | 115.2 | ||
| 585 | K | 86.9 | Confident | 90 | Very high | 156 Ų | 156 | 45.1 Ų | 45.1 | 68% | 0.678 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -13.5 | 179.4 | -58.4 | -176.8 | -178.4 | 174.9 | 0 | 113.1 | N583 E587 | N583-K585 PolarHBondContact O-N 3.48Å; N583-K585 PolarHBondContact OD1-N 2.97Å; K585-E587 VanDerWaalsContact C-N 3.28Å; K585-E587 HydrophobicContact CB-CG 3.91Å; K585-E587 VanDerWaalsContact CD-CD 3.42Å; K585-E587 HydrophobicContact CD-CG 4.16Å; K585-E587 WeakPolarHBondContact CD-OE1 3.39Å; K585-E587 IonicContact NZ-OE1 3.87Å; K585-E587 PolarHBondContact NZ-OE1 3.09Å; K585-E587 IonicContact NZ-OE2 3.16Å |
| 586 | G | 86.1 | Confident | 89.7 | Confident | 16 Ų | 16 | 45.7 Ų | 45.7 | 17% | 0.165 | 22% | 0.223 | C | C | . | . | trans | 72.4 | 17.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | N583 V588 N619 | N583-G586 PolarHBondContact O-N 2.9Å; N583-G586 VanDerWaalsContact O-N 3.17Å; N583-G586 PolarHBondContact OD1-N 2.93Å; N583-G586 VanDerWaalsContact OD1-N 3.13Å; G586-V588 PolarHBondContact O-N 3.14Å; G586-N619 VanDerWaalsContact CA-ND2 3.3Å; G586-N619 WeakPolarHBondContact CA-ND2 3.41Å | ||
| 587 | E | 87.4 | Confident | 89.5 | Confident | 92 Ų | 92 | 45.8 Ų | 45.8 | 43% | 0.43 | 22% | 0.223 | S | C | . | . | trans | -79.2 | 118.5 | -177.3 | -73.8 | 173.9 | -170.9 | 0 | 0 | 111.1 | R581 N583 K585 | R581-E587 PolarHBondContact NH1-O 3.46Å; R581-E587 PolarHBondContact NH2-O 3.33Å; R581-E587 VanDerWaalsContact NH2-O 3.08Å; N583-E587 PolarHBondContact ND2-O 2.63Å; N583-E587 PolarHBondContact OD1-N 3.44Å; K585-E587 VanDerWaalsContact C-N 3.28Å; K585-E587 HydrophobicContact CB-CG 3.91Å; K585-E587 VanDerWaalsContact CD-CD 3.42Å; K585-E587 HydrophobicContact CD-CG 4.16Å; K585-E587 WeakPolarHBondContact CD-OE1 3.39Å; K585-E587 IonicContact NZ-OE1 3.87Å; K585-E587 PolarHBondContact NZ-OE1 3.09Å; K585-E587 IonicContact NZ-OE2 3.16Å | ||
| 588 | V | 84.2 | Confident | 89.4 | Confident | 13 Ų | 13 | 45.7 Ų | 45.7 | 8% | 0.079 | 22% | 0.223 | C | C | . | . | trans | -93.1 | -25 | 175.9 | -54.9 | 0 | 0 | 0 | 0 | 113.4 | Y541 R581 G586 F590 L591 A592 T616 H620 L623 | Y541-V588 PolarHBondContact OH-O 3.45Å; R581-V588 WeakPolarHBondContact CG-O 3.43Å; R581-V588 PolarHBondContact NH1-O 3.42Å; G586-V588 PolarHBondContact O-N 3.14Å; V588-F590 PolarHBondContact O-N 3.19Å; V588-L591 HydrophobicContact CB-CB 3.99Å; V588-L591 HydrophobicContact CB-CD1 4.23Å; V588-L591 HydrophobicContact CG2-CB 4.37Å; V588-L591 PolarHBondContact O-N 2.82Å; V588-A592 HydrophobicContact CG2-CB 4.04Å; V588-T616 WeakPolarHBondContact CG1-O 3.37Å; V588-H620 HydrophobicContact CG1-CB 4.3Å; V588-H620 HydrophobicContact CG2-CB 3.91Å; V588-L623 HydrophobicContact CB-CD1 4.26Å; V588-L623 HydrophobicContact CG1-CD1 4.19Å; V588-L623 HydrophobicContact CG2-CD1 4.43Å | ||
| 589 | G | 83.2 | Confident | 89.3 | Confident | 44 Ų | 44 | 45.7 Ų | 45.7 | 45% | 0.454 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | 56.2 | -126.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L591 A592 | G589-L591 PolarHBondContact O-N 2.91Å; G589-A592 VanDerWaalsContact O-CB 3.24Å; G589-A592 WeakPolarHBondContact O-CB 3.24Å; G589-A592 PolarHBondContact O-N 3.4Å |
| 590 | F | 75.8 | Confident | 89.3 | Confident | 88 Ų | 88 | 45.7 Ų | 45.7 | 39% | 0.386 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -56 | -14 | -179 | -172.4 | -110.1 | 0 | 0 | 0 | 115.8 | P540 Y541 V588 A592 R596 | P540-F590 HydrophobicContact CB-CD1 4.19Å; P540-F590 HydrophobicContact CB-CE1 4.43Å; P540-F590 WeakPolarHBondContact O-CE1 3.34Å; Y541-F590 HydrophobicContact CE1-CB 3.98Å; Y541-F590 HydrophobicContact CE1-CD1 4.44Å; V588-F590 PolarHBondContact O-N 3.19Å; F590-A592 VanDerWaalsContact C-N 3.29Å; F590-R596 VanDerWaalsContact CE1-CZ 3.5Å; F590-R596 VanDerWaalsContact CZ-NH1 3.32Å; F590-R596 PolarHBondContact O-NH1 2.91Å |
| 591 | L | 81.1 | Confident | 89.4 | Confident | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -70.9 | -18.1 | 169.1 | -73.3 | 178.2 | 0 | 0 | 0 | 114.2 | P540 Y541 L579 R581 V588 G589 E593 I597 L623 | P540-L591 HydrophobicContact CB-CD2 4.13Å; P540-L591 HydrophobicContact CG-CD2 3.32Å; P540-L591 HydrophobicContact CG-CG 4.43Å; Y541-L591 HydrophobicContact CE2-CG 4.45Å; L579-L591 HydrophobicContact CB-CD1 4.18Å; L579-L591 HydrophobicContact CB-CD2 4.4Å; L579-L591 HydrophobicContact CD2-CD2 3.97Å; R581-L591 HydrophobicContact CB-CD1 3.82Å; R581-L591 HydrophobicContact CG-CD1 3.49Å; R581-L591 VanDerWaalsContact CG-CD1 3.49Å; R581-L591 HydrophobicContact CG-CG 4.11Å; V588-L591 HydrophobicContact CB-CB 3.99Å; V588-L591 HydrophobicContact CB-CD1 4.23Å; V588-L591 HydrophobicContact CG2-CB 4.37Å; V588-L591 PolarHBondContact O-N 2.82Å; G589-L591 PolarHBondContact O-N 2.91Å; L591-E593 PolarHBondContact O-N 2.86Å; L591-E593 VanDerWaalsContact O-N 3.13Å; L591-I597 HydrophobicContact CD2-CD1 3.89Å; L591-L623 HydrophobicContact CB-CD1 3.91Å; L591-L623 HydrophobicContact CD1-CD1 4.32Å |
| 592 | A | 84.2 | Confident | 89.5 | Confident | 43 Ų | 43 | 45.2 Ų | 45.2 | 36% | 0.355 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -71.5 | 2.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | V588 G589 F590 D594 | V588-A592 HydrophobicContact CG2-CB 4.04Å; G589-A592 VanDerWaalsContact O-CB 3.24Å; G589-A592 WeakPolarHBondContact O-CB 3.24Å; G589-A592 PolarHBondContact O-N 3.4Å; F590-A592 VanDerWaalsContact C-N 3.29Å; A592-D594 PolarHBondContact O-N 2.99Å |
| 593 | E | 88.9 | Confident | 89.6 | Confident | 63 Ų | 63 | 45 Ų | 45 | 29% | 0.294 | 22% | 0.219 | S | C | . | . | trans | -92.6 | 92.6 | 174.7 | -168.5 | -177 | 154.5 | 0 | 0 | 110 | L591 R595 R596 | L591-E593 PolarHBondContact O-N 2.86Å; L591-E593 VanDerWaalsContact O-N 3.13Å; E593-R595 PolarHBondContact O-N 3.28Å; E593-R595 VanDerWaalsContact O-N 3.1Å; E593-R596 HydrophobicContact CB-CB 4.47Å; E593-R596 VanDerWaalsContact O-CB 3.28Å; E593-R596 WeakPolarHBondContact O-CB 3.45Å; E593-R596 PolarHBondContact O-N 3.19Å; E593-R596 IonicContact OE1-NH2 2.68Å; E593-R596 IonicContact OE2-CZ 3.61Å; E593-R596 IonicContact OE2-NH1 3.66Å; E593-R596 PolarHBondContact OE2-NH1 2.7Å; E593-R596 IonicContact OE2-NH2 2.67Å; E593-R596 PolarHBondContact OE2-NH2 3.39Å | ||
| 594 | D | 94.3 | Very high | 90 | Very high | 53 Ų | 53 | 43.6 Ų | 43.6 | 28% | 0.283 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -52.8 | -37.1 | -172.7 | -55.8 | -26.2 | 0 | 0 | 0 | 113.8 | M456 A592 R596 I597 N598 H620 F622 | M456-D594 VanDerWaalsContact CE-C 3.49Å; M456-D594 HydrophobicContact CE-CB 3.32Å; A592-D594 PolarHBondContact O-N 2.99Å; D594-R596 PolarHBondContact O-N 2.95Å; D594-I597 PolarHBondContact O-N 3.21Å; D594-I597 VanDerWaalsContact O-N 3.08Å; D594-N598 WeakPolarHBondContact O-CB 3.16Å; D594-N598 PolarHBondContact O-N 3.27Å; D594-H620 IonicContact OD1-CE1 3.77Å; D594-H620 PolarHBondContact OD1-CE1 3.3Å; D594-H620 IonicContact OD1-ND1 2.73Å; D594-F622 HydrophobicContact CB-CB 4.39Å; D594-F622 HydrophobicContact CB-CD1 3.65Å; D594-F622 HydrophobicContact CB-CD2 3.94Å; D594-F622 HydrophobicContact CB-CE1 3.83Å; D594-F622 HydrophobicContact CB-CE2 4.08Å; D594-F622 HydrophobicContact CB-CG 3.72Å; D594-F622 HydrophobicContact CB-CZ 4.05Å; D594-F622 WeakPolarHBondContact OD1-CB 3.13Å; D594-F622 WeakPolarHBondContact OD1-CD1 3.23Å; D594-F622 VanDerWaalsContact OD1-CG 3.27Å; D594-F622 WeakPolarHBondContact OD1-CG 3.47Å |
| 595 | R | 93.3 | Very high | 90.5 | Very high | 64 Ų | 64 | 34 Ų | 34 | 24% | 0.242 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59 | -33.8 | 177.6 | -57.7 | -167.6 | -165.9 | -179 | 2.9 | 112.1 | Y401 K402 Q403 E424 E593 V599 | Y401-R595 PolarHBondContact O-NE 3.34Å; Y401-R595 PolarHBondContact O-NH1 3.13Å; K402-R595 WeakPolarHBondContact O-CG 3.31Å; Q403-R595 WeakPolarHBondContact O-CD 3.47Å; E424-R595 IonicContact OE1-CZ 3.44Å; E424-R595 IonicContact OE1-NH1 3.59Å; E424-R595 PolarHBondContact OE1-NH1 3.05Å; E424-R595 IonicContact OE1-NH2 2.7Å; E424-R595 PolarHBondContact OE1-NH2 3.42Å; E424-R595 IonicContact OE2-CZ 3.95Å; E424-R595 IonicContact OE2-NH1 2.68Å; E424-R595 PolarHBondContact OE2-NH1 2.88Å; E424-R595 IonicContact OE2-NH2 2.72Å; E593-R595 PolarHBondContact O-N 3.28Å; E593-R595 VanDerWaalsContact O-N 3.1Å; R595-V599 VanDerWaalsContact O-CG2 3.3Å; R595-V599 WeakPolarHBondContact O-CG2 3.26Å; R595-V599 PolarHBondContact O-N 3.46Å |
| 596 | R | 91.6 | Very high | 91 | Very high | 12 Ų | 12 | 28.1 Ų | 28.1 | 5% | 0.045 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -68.8 | -42.8 | 175.6 | -172.4 | 173.7 | -70.1 | 94.5 | 18.8 | 110.8 | L404 V564 D565 F590 E593 D594 V599 A600 | L404-R596 HydrophobicContact CD2-CB 3.88Å; L404-R596 HydrophobicContact CD2-CG 4.21Å; V564-R596 HydrophobicContact CB-CG 3.69Å; V564-R596 HydrophobicContact CG1-CG 3.67Å; V564-R596 WeakPolarHBondContact CG1-O 3.36Å; V564-R596 HydrophobicContact CG2-CG 3.8Å; D565-R596 IonicContact OD1-NH2 3.6Å; D565-R596 IonicContact OD2-NE 3.83Å; D565-R596 PolarHBondContact OD2-NE 2.98Å; F590-R596 VanDerWaalsContact CE1-CZ 3.5Å; F590-R596 VanDerWaalsContact CZ-NH1 3.32Å; F590-R596 PolarHBondContact O-NH1 2.91Å; E593-R596 HydrophobicContact CB-CB 4.47Å; E593-R596 VanDerWaalsContact O-CB 3.28Å; E593-R596 WeakPolarHBondContact O-CB 3.45Å; E593-R596 PolarHBondContact O-N 3.19Å; E593-R596 IonicContact OE1-NH2 2.68Å; E593-R596 IonicContact OE2-CZ 3.61Å; E593-R596 IonicContact OE2-NH1 3.66Å; E593-R596 PolarHBondContact OE2-NH1 2.7Å; E593-R596 IonicContact OE2-NH2 2.67Å; E593-R596 PolarHBondContact OE2-NH2 3.39Å; D594-R596 PolarHBondContact O-N 2.95Å; R596-V599 PolarHBondContact O-N 3.02Å; R596-A600 WeakPolarHBondContact O-CB 3.4Å; R596-A600 PolarHBondContact O-N 3.4Å |
| 597 | I | 94.1 | Very high | 91.6 | Very high | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.01 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -69 | -43.7 | 179.3 | -53.2 | -60.7 | 0 | 0 | 0 | 110.9 | W451 L579 L591 D594 V599 A600 V601 F622 L623 L626 | W451-I597 HydrophobicContact CH2-CG2 4.03Å; W451-I597 HydrophobicContact CZ2-CG2 4.46Å; L579-I597 HydrophobicContact CD2-CD1 4.43Å; L591-I597 HydrophobicContact CD2-CD1 3.89Å; D594-I597 PolarHBondContact O-N 3.21Å; D594-I597 VanDerWaalsContact O-N 3.08Å; I597-V599 VanDerWaalsContact C-N 3.34Å; I597-V599 PolarHBondContact O-N 2.96Å; I597-A600 PolarHBondContact O-N 2.89Å; I597-A600 VanDerWaalsContact O-N 3.13Å; I597-V601 HydrophobicContact CG2-CG2 4.41Å; I597-V601 WeakPolarHBondContact O-CG2 3.44Å; I597-V601 PolarHBondContact O-N 2.96Å; I597-F622 HydrophobicContact CB-CD1 4.33Å; I597-F622 HydrophobicContact CB-CE1 3.9Å; I597-F622 HydrophobicContact CG2-CD1 4.47Å; I597-F622 HydrophobicContact CG2-CE1 4.03Å; I597-L623 HydrophobicContact CB-CD2 4.47Å; I597-L623 HydrophobicContact CD1-CD2 3.92Å; I597-L623 HydrophobicContact CG1-CD2 3.77Å; I597-L623 HydrophobicContact CG2-CD2 4Å; I597-L626 HydrophobicContact CG2-CD2 3.91Å |
| 598 | N | 95.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -52.9 | -49.1 | 170 | 174 | 28 | 0 | 0 | 0 | 111.5 | K402 M456 Y457 D594 A600 T602 | K402-N598 PolarHBondContact O-ND2 3.33Å; M456-N598 HydrophobicContact CE-CB 4.03Å; M456-N598 HydrophobicContact CG-CB 3.93Å; M456-N598 HydrophobicContact SD-CB 4.22Å; Y457-N598 PolarHBondContact OH-ND2 2.9Å; D594-N598 WeakPolarHBondContact O-CB 3.16Å; D594-N598 PolarHBondContact O-N 3.27Å; N598-A600 PolarHBondContact O-N 3.15Å; N598-T602 WeakPolarHBondContact O-CB 3.5Å; N598-T602 WeakPolarHBondContact O-CG2 3.4Å; N598-T602 PolarHBondContact O-N 3.29Å; N598-T602 PolarHBondContact O-OG1 2.99Å |
| 599 | V | 94.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -58.6 | -49.7 | 174.8 | 169.4 | 0 | 0 | 0 | 0 | 111.1 | Q403 L404 V564 R595 R596 I597 V601 T602 R603 | Q403-V599 HydrophobicContact CB-CG2 3.53Å; Q403-V599 HydrophobicContact CG-CG2 3.54Å; L404-V599 HydrophobicContact CD1-CG1 4.45Å; L404-V599 HydrophobicContact CG-CB 4.49Å; L404-V599 HydrophobicContact CG-CG2 4.09Å; V564-V599 HydrophobicContact CG1-CB 3.99Å; V564-V599 HydrophobicContact CG1-CG1 3.67Å; R595-V599 VanDerWaalsContact O-CG2 3.3Å; R595-V599 WeakPolarHBondContact O-CG2 3.26Å; R595-V599 PolarHBondContact O-N 3.46Å; R596-V599 PolarHBondContact O-N 3.02Å; I597-V599 VanDerWaalsContact C-N 3.34Å; I597-V599 PolarHBondContact O-N 2.96Å; V599-V601 PolarHBondContact O-N 3.26Å; V599-T602 PolarHBondContact O-N 3.35Å; V599-T602 PolarHBondContact O-OG1 3.13Å; V599-R603 WeakPolarHBondContact O-CD 3.37Å; V599-R603 VanDerWaalsContact O-CG 3.23Å; V599-R603 WeakPolarHBondContact O-CG 3.49Å; V599-R603 PolarHBondContact O-N 2.95Å; V599-R603 PolarHBondContact O-NE 3.48Å |
| 600 | A | 94.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -58.4 | -47.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | I538 V564 L577 R596 I597 N598 | I538-A600 HydrophobicContact CG2-CB 4.35Å; V564-A600 HydrophobicContact CG1-CB 4.03Å; V564-A600 HydrophobicContact CG2-CB 3.95Å; L577-A600 HydrophobicContact CD1-CB 4.07Å; L577-A600 HydrophobicContact CD2-CB 4.04Å; R596-A600 WeakPolarHBondContact O-CB 3.4Å; R596-A600 PolarHBondContact O-N 3.4Å; I597-A600 PolarHBondContact O-N 2.89Å; I597-A600 VanDerWaalsContact O-N 3.13Å; N598-A600 PolarHBondContact O-N 3.15Å |
| 601 | V | 96.3 | Very high | 94.5 | Very high | 3 Ų | 3 | 16.3 Ų | 16.3 | 2% | 0.018 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -65.2 | -46.5 | 179.6 | 173.8 | 0 | 0 | 0 | 0 | 111 | I448 W451 I597 V599 R603 A604 I608 L626 | I448-V601 HydrophobicContact CG2-CG1 4.14Å; W451-V601 HydrophobicContact CE3-CB 4.22Å; W451-V601 HydrophobicContact CE3-CG1 3.79Å; W451-V601 HydrophobicContact CE3-CG2 4.35Å; W451-V601 HydrophobicContact CH2-CB 4.45Å; W451-V601 HydrophobicContact CH2-CG2 4.09Å; W451-V601 HydrophobicContact CZ3-CB 3.65Å; W451-V601 HydrophobicContact CZ3-CG1 3.77Å; W451-V601 HydrophobicContact CZ3-CG2 3.72Å; I597-V601 HydrophobicContact CG2-CG2 4.41Å; I597-V601 WeakPolarHBondContact O-CG2 3.44Å; I597-V601 PolarHBondContact O-N 2.96Å; V599-V601 PolarHBondContact O-N 3.26Å; V601-R603 PolarHBondContact O-N 3.45Å; V601-A604 PolarHBondContact O-N 2.86Å; V601-I608 HydrophobicContact CB-CD1 4.11Å; V601-I608 HydrophobicContact CG1-CD1 4.07Å; V601-I608 HydrophobicContact CG2-CD1 4.03Å; V601-L626 HydrophobicContact CG2-CD1 4.17Å; V601-L626 HydrophobicContact CG2-CD2 4.02Å |
| 602 | T | 96.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | 13.1 | -175.7 | 62.1 | 0 | 0 | 0 | 0 | 114.7 | P216 R443 M444 A452 N598 V599 | P216-T602 HydrophobicContact CB-CG2 4.13Å; P216-T602 HydrophobicContact CG-CG2 3.91Å; R443-T602 WeakPolarHBondContact CD-O 3.2Å; R443-T602 PolarHBondContact NH1-O 3.17Å; M444-T602 HydrophobicContact SD-CG2 3.79Å; A452-T602 HydrophobicContact CB-CG2 3.75Å; N598-T602 WeakPolarHBondContact O-CB 3.5Å; N598-T602 WeakPolarHBondContact O-CG2 3.4Å; N598-T602 PolarHBondContact O-N 3.29Å; N598-T602 PolarHBondContact O-OG1 2.99Å; V599-T602 PolarHBondContact O-N 3.35Å; V599-T602 PolarHBondContact O-OG1 3.13Å |
| 603 | R | 95.6 | Very high | 95.8 | Very high | 4 Ų | 4 | 14.6 Ų | 14.6 | 2% | 0.015 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -23 | 168.5 | -58.4 | -47.6 | 87.5 | 179.8 | 15.3 | 112.6 | I538 F567 R570 E571 K572 V575 V599 V601 | I538-R603 HydrophobicContact CD1-CB 3.99Å; I538-R603 HydrophobicContact CD1-CG 3.74Å; F567-R603 HydrophobicContact CD1-CB 4.03Å; F567-R603 HydrophobicContact CD1-CG 3.65Å; F567-R603 HydrophobicContact CE1-CB 4.17Å; F567-R603 HydrophobicContact CE1-CG 4.3Å; R570-R603 WeakPolarHBondContact O-CD 3.23Å; R570-R603 PolarHBondContact O-NH1 2.69Å; E571-R603 VanDerWaalsContact CA-O 3.29Å; E571-R603 WeakPolarHBondContact CA-O 3.39Å; K572-R603 PolarHBondContact N-O 3.41Å; V575-R603 HydrophobicContact CG2-CB 4Å; V599-R603 WeakPolarHBondContact O-CD 3.37Å; V599-R603 VanDerWaalsContact O-CG 3.23Å; V599-R603 WeakPolarHBondContact O-CG 3.49Å; V599-R603 PolarHBondContact O-N 2.95Å; V599-R603 PolarHBondContact O-NE 3.48Å; V601-R603 PolarHBondContact O-N 3.45Å |
| 604 | A | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 150.3 | 179 | 0 | 0 | 0 | 0 | 0 | 111.6 | M444 I448 K572 V575 V601 I608 | M444-A604 WeakPolarHBondContact CG-O 3.26Å; I448-A604 HydrophobicContact CD1-CB 4.12Å; I448-A604 HydrophobicContact CG2-CB 4.5Å; K572-A604 CarbonylContact O-C 3.57Å; V575-A604 HydrophobicContact CB-CB 4.07Å; V575-A604 HydrophobicContact CG2-CB 4.02Å; V601-A604 PolarHBondContact O-N 2.86Å; A604-I608 HydrophobicContact CB-CB 3.9Å |
| 605 | R | 97.9 | Very high | 96.1 | Very high | 60 Ų | 60 | 16.8 Ų | 16.8 | 23% | 0.226 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | -61.8 | 168.1 | -66.8 | -179 | 65.7 | -153.1 | -12 | 110.9 | R443 M444 N445 H470 E571 K572 E573 | R443-R605 HydrophobicContact CG-CG 3.7Å; R443-R605 VanDerWaalsContact O-CA 3.26Å; R443-R605 WeakPolarHBondContact O-CA 3.33Å; R443-R605 VanDerWaalsContact O-CB 3.29Å; R443-R605 WeakPolarHBondContact O-CB 3.47Å; R443-R605 WeakPolarHBondContact O-CG 3.3Å; M444-R605 CarbonylContact C-O 3.59Å; M444-R605 WeakPolarHBondContact CA-O 3.46Å; N445-R605 PolarHBondContact N-O 3.19Å; H470-R605 PolarHBondContact NE2-O 2.86Å; E571-R605 IonicContact OE1-NE 3.2Å; K572-R605 WeakPolarHBondContact O-CB 3.21Å; K572-R605 WeakPolarHBondContact O-CG 3.45Å; K572-R605 PolarHBondContact O-N 2.83Å; E573-R605 IonicContact OE1-CZ 3.51Å; E573-R605 IonicContact OE1-NH1 3.82Å; E573-R605 PolarHBondContact OE1-NH1 3.1Å; E573-R605 IonicContact OE1-NH2 2.72Å; E573-R605 IonicContact OE2-CZ 2.69Å; E573-R605 IonicContact OE2-NE 3.5Å; E573-R605 IonicContact OE2-NH1 3.62Å |
| 606 | R | 98.1 | Very high | 96.2 | Very high | 33 Ų | 33 | 13.9 Ų | 13.9 | 13% | 0.125 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | -32 | -170.9 | -67.9 | 166.6 | -175.2 | -87.5 | -10.2 | 113.8 | H470 L471 L472 D474 P487 E573 | H470-R606 HydrophobicContact CB-CG 4.44Å; L471-R606 WeakPolarHBondContact O-CD 3.35Å; L471-R606 PolarHBondContact O-NH1 3.04Å; L472-R606 HydrophobicContact CD2-CB 3.95Å; L472-R606 HydrophobicContact CG-CB 4.17Å; D474-R606 IonicContact OD2-NH1 2.77Å; P487-R606 WeakPolarHBondContact CA-O 3.42Å; E573-R606 PolarHBondContact O-N 3.45Å; E573-R606 WeakPolarHBondContact OE2-CD 3.46Å; E573-R606 IonicContact OE2-NE 3.12Å; E573-R606 PolarHBondContact OE2-NE 3.18Å |
| 607 | H | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 136.2 | -175.2 | 176.2 | 91 | 0 | 0 | 0 | 111.8 | L472 E483 T486 P487 H521 E573 A574 V575 | L472-H607 HydrophobicContact CD1-CB 3.41Å; L472-H607 VanDerWaalsContact CD1-CB 3.41Å; L472-H607 HydrophobicContact CD2-CB 4.32Å; L472-H607 HydrophobicContact CG-CB 3.63Å; E483-H607 PolarHBondContact O-CE1 2.93Å; E483-H607 VanDerWaalsContact O-CE1 3.25Å; E483-H607 PolarHBondContact O-ND1 3.06Å; T486-H607 PolarHBondContact O-ND1 3.05Å; P487-H607 WeakPolarHBondContact O-CA 3.18Å; H521-H607 AromaticContact CE1-NE2 3.85Å; H521-H607 AromaticContact NE2-CE1 3.95Å; H521-H607 AromaticContact NE2-NE2 3.12Å; H521-H607 PolarHBondContact NE2-NE2 3.37Å; H521-H607 VanDerWaalsContact NE2-NE2 3.12Å; E573-H607 PolarHBondContact O-N 3.32Å; A574-H607 WeakPolarHBondContact CA-O 3.44Å; V575-H607 PolarHBondContact N-O 2.89Å |
| 608 | I | 98.2 | Very high | 96.3 | Very high | 2 Ų | 2 | 18.9 Ų | 18.9 | 1% | 0.01 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 128.9 | 164.6 | -177.7 | 168.6 | 0 | 0 | 0 | 111 | I448 P487 L488 L489 V575 V601 A604 V610 | I448-I608 HydrophobicContact CD1-CG2 4.21Å; I448-I608 HydrophobicContact CG1-CG2 4.13Å; I448-I608 HydrophobicContact CG2-CG2 4.41Å; P487-I608 PolarHBondContact O-N 3.49Å; L488-I608 HydrophobicContact CD2-CG2 3.54Å; L489-I608 PolarHBondContact N-O 2.74Å; V575-I608 WeakPolarHBondContact O-CA 3.42Å; V601-I608 HydrophobicContact CB-CD1 4.11Å; V601-I608 HydrophobicContact CG1-CD1 4.07Å; V601-I608 HydrophobicContact CG2-CD1 4.03Å; A604-I608 HydrophobicContact CB-CB 3.9Å; I608-V610 HydrophobicContact CD1-CG2 4.18Å; I608-V610 HydrophobicContact CG1-CG2 4.13Å |
| 609 | A | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 128 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110 | L489 H521 V575 V576 L577 | L489-A609 HydrophobicContact CB-CB 4.24Å; L489-A609 HydrophobicContact CD2-CB 4.25Å; L489-A609 CarbonylContact O-C 3.54Å; L489-A609 WeakPolarHBondContact O-CA 3.28Å; H521-A609 WeakPolarHBondContact NE2-CB 3.34Å; V575-A609 PolarHBondContact O-N 3.05Å; V576-A609 CarbonylContact C-O 3.49Å; V576-A609 WeakPolarHBondContact CA-O 3.45Å; V576-A609 HydrophobicContact CG1-CB 4.27Å; V576-A609 HydrophobicContact CG2-CB 4.43Å; L577-A609 PolarHBondContact N-O 2.95Å |
| 610 | V | 98.3 | Very high | 96.2 | Very high | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.012 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 121 | 174.8 | -179.5 | 0 | 0 | 0 | 0 | 108.7 | L489 L490 I491 L577 L579 I608 C612 M630 | L489-V610 PolarHBondContact O-N 3.41Å; L490-V610 HydrophobicContact CD1-CB 4.29Å; L490-V610 HydrophobicContact CD1-CG1 4.36Å; I491-V610 PolarHBondContact N-O 3.29Å; L577-V610 HydrophobicContact CB-CG2 4.33Å; L577-V610 HydrophobicContact CD2-CG2 4.29Å; L577-V610 WeakPolarHBondContact O-CA 3.42Å; L579-V610 HydrophobicContact CD1-CG1 4.1Å; L579-V610 HydrophobicContact CG-CG1 4.16Å; I608-V610 HydrophobicContact CD1-CG2 4.18Å; I608-V610 HydrophobicContact CG1-CG2 4.13Å; V610-C612 HydrophobicContact CG1-CB 4.43Å; V610-M630 HydrophobicContact CB-CE 4.07Å; V610-M630 HydrophobicContact CB-SD 3.94Å; V610-M630 HydrophobicContact CG2-CE 3.8Å; V610-M630 HydrophobicContact CG2-SD 3.53Å; V610-M630 VanDerWaalsContact CG2-SD 3.53Å |
| 611 | V | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 117.8 | 175.1 | -167.2 | 0 | 0 | 0 | 0 | 108.3 | I491 T493 E514 I517 V518 V576 L577 L579 | I491-V611 HydrophobicContact CB-CG1 4.46Å; I491-V611 HydrophobicContact CB-CG2 4.3Å; I491-V611 HydrophobicContact CD1-CG2 4.17Å; I491-V611 WeakPolarHBondContact O-CA 3.26Å; T493-V611 HydrophobicContact CG2-CG1 3.93Å; E514-V611 HydrophobicContact CB-CG1 4.26Å; E514-V611 HydrophobicContact CG-CG1 3.94Å; I517-V611 HydrophobicContact CB-CG1 4.14Å; I517-V611 HydrophobicContact CD1-CG1 4.15Å; I517-V611 HydrophobicContact CG2-CG1 3.8Å; I517-V611 HydrophobicContact CG2-CG2 4.17Å; V518-V611 HydrophobicContact CG2-CB 4.23Å; V518-V611 HydrophobicContact CG2-CG2 3.71Å; V576-V611 HydrophobicContact CG1-CG2 4.36Å; L577-V611 PolarHBondContact O-N 3.12Å; L579-V611 PolarHBondContact N-O 3.41Å |
| 612 | C | 96.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.2 | 160.6 | -176.3 | 67 | 0 | 0 | 0 | 0 | 113.7 | I491 D492 T493 L579 V610 T614 V617 | I491-C612 PolarHBondContact O-N 2.83Å; D492-C612 WeakPolarHBondContact CA-O 3.49Å; T493-C612 PolarHBondContact N-O 2.99Å; T493-C612 PolarHBondContact OG1-O 3.24Å; L579-C612 HydrophobicContact CB-CB 3.77Å; L579-C612 HydrophobicContact CD1-CB 3.63Å; L579-C612 HydrophobicContact CG-CB 3.84Å; V610-C612 HydrophobicContact CG1-CB 4.43Å; C612-T614 PolarHBondContact O-N 2.87Å; C612-V617 HydrophobicContact CB-CG2 4.1Å |
| 613 | D | 96.2 | Very high | 96.2 | Very high | 8 Ų | 8 | 30.5 Ų | 30.5 | 4% | 0.043 | 15% | 0.152 | C | C | . | . | trans | -85.6 | 103.6 | 168.1 | 170.4 | 8.5 | 0 | 0 | 0 | 109.7 | T493 A494 S582 Q615 T616 V617 | T493-D613 VanDerWaalsContact OG1-CA 3.25Å; T493-D613 WeakPolarHBondContact OG1-CA 3.16Å; T493-D613 WeakPolarHBondContact OG1-CB 3.46Å; T493-D613 PolarHBondContact OG1-N 2.98Å; T493-D613 VanDerWaalsContact OG1-N 3.08Å; A494-D613 WeakPolarHBondContact CA-OD1 3.38Å; A494-D613 WeakPolarHBondContact CB-OD1 3.38Å; S582-D613 VanDerWaalsContact CA-OD2 3.31Å; S582-D613 WeakPolarHBondContact CA-OD2 3.46Å; S582-D613 VanDerWaalsContact CB-OD2 3.26Å; S582-D613 WeakPolarHBondContact CB-OD2 3.21Å; S582-D613 PolarHBondContact OG-OD2 3.06Å; D613-Q615 PolarHBondContact O-N 2.97Å; D613-Q615 VanDerWaalsContact OD1-CB 3.32Å; D613-Q615 WeakPolarHBondContact OD1-CB 3.37Å; D613-Q615 PolarHBondContact OD1-N 3.22Å; D613-T616 PolarHBondContact O-N 3.43Å; D613-T616 VanDerWaalsContact O-N 3.16Å; D613-T616 PolarHBondContact OD1-N 3.13Å; D613-T616 WeakPolarHBondContact OD2-CB 3.39Å; D613-T616 PolarHBondContact OD2-OG1 2.95Å; D613-V617 VanDerWaalsContact O-CB 3.31Å; D613-V617 WeakPolarHBondContact O-CB 3.29Å; D613-V617 VanDerWaalsContact O-CG2 3.31Å; D613-V617 WeakPolarHBondContact O-CG2 3.46Å; D613-V617 PolarHBondContact O-N 2.81Å | ||
| 614 | T | 95.5 | Very high | 96.2 | Very high | 19 Ų | 19 | 34.7 Ų | 34.7 | 12% | 0.117 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.3 | -28.8 | -178.3 | 64.9 | 0 | 0 | 0 | 0 | 112.8 | L490 D492 C612 V617 R618 V627 | L490-T614 HydrophobicContact CD2-CG2 4.21Å; D492-T614 HydrophobicContact CB-CG2 4Å; D492-T614 VanDerWaalsContact CG-OG1 3.23Å; D492-T614 VanDerWaalsContact OD1-CG2 3.32Å; D492-T614 WeakPolarHBondContact OD1-CG2 3.38Å; D492-T614 PolarHBondContact OD1-N 2.93Å; D492-T614 PolarHBondContact OD1-OG1 3.41Å; D492-T614 WeakPolarHBondContact OD2-CG2 3.42Å; D492-T614 PolarHBondContact OD2-OG1 2.88Å; C612-T614 PolarHBondContact O-N 2.87Å; T614-V617 PolarHBondContact O-N 2.82Å; T614-R618 VanDerWaalsContact O-CB 3.27Å; T614-R618 WeakPolarHBondContact O-CB 3.48Å; T614-R618 WeakPolarHBondContact O-CG 3.33Å; T614-R618 PolarHBondContact O-N 3.29Å; T614-V627 HydrophobicContact CG2-CG1 3.82Å; T614-V627 HydrophobicContact CG2-CG2 4.43Å |
| 615 | Q | 94.1 | Very high | 96.2 | Very high | 144 Ų | 144 | 35.8 Ų | 35.8 | 67% | 0.673 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -68.9 | -35.5 | 178.8 | -171.8 | 177.2 | 15.9 | 0 | 0 | 111.8 | A494 D613 N619 | A494-Q615 HydrophobicContact CB-CB 4.15Å; D613-Q615 PolarHBondContact O-N 2.97Å; D613-Q615 VanDerWaalsContact OD1-CB 3.32Å; D613-Q615 WeakPolarHBondContact OD1-CB 3.37Å; D613-Q615 PolarHBondContact OD1-N 3.22Å; Q615-N619 PolarHBondContact O-ND2 3.05Å |
| 616 | T | 93.8 | Very high | 96.2 | Very high | 3 Ų | 3 | 33.2 Ų | 33.2 | 2% | 0.018 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -78.7 | -43.2 | 173.8 | -63.6 | 0 | 0 | 0 | 0 | 111.3 | R581 S582 N583 V588 D613 N619 | R581-T616 HydrophobicContact CB-CG2 4.13Å; R581-T616 WeakPolarHBondContact O-CB 3.08Å; R581-T616 WeakPolarHBondContact O-CG2 3.31Å; S582-T616 WeakPolarHBondContact CA-OG1 3.46Å; N583-T616 PolarHBondContact N-OG1 2.69Å; N583-T616 PolarHBondContact O-OG1 3.34Å; V588-T616 WeakPolarHBondContact CG1-O 3.37Å; D613-T616 PolarHBondContact O-N 3.43Å; D613-T616 VanDerWaalsContact O-N 3.16Å; D613-T616 PolarHBondContact OD1-N 3.13Å; D613-T616 WeakPolarHBondContact OD2-CB 3.39Å; D613-T616 PolarHBondContact OD2-OG1 2.95Å; T616-N619 PolarHBondContact O-ND2 3.15Å |
| 617 | V | 93.9 | Very high | 96.1 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -75.2 | -35.3 | -169.1 | 168.4 | 0 | 0 | 0 | 0 | 113.4 | L579 C612 D613 T614 N619 H620 L623 V627 | L579-V617 HydrophobicContact CD1-CG1 3.93Å; L579-V617 HydrophobicContact CD1-CG2 4.08Å; C612-V617 HydrophobicContact CB-CG2 4.1Å; D613-V617 VanDerWaalsContact O-CB 3.31Å; D613-V617 WeakPolarHBondContact O-CB 3.29Å; D613-V617 VanDerWaalsContact O-CG2 3.31Å; D613-V617 WeakPolarHBondContact O-CG2 3.46Å; D613-V617 PolarHBondContact O-N 2.81Å; T614-V617 PolarHBondContact O-N 2.82Å; V617-N619 PolarHBondContact O-N 3.34Å; V617-N619 VanDerWaalsContact O-N 3.1Å; V617-H620 PolarHBondContact O-N 2.97Å; V617-L623 HydrophobicContact CG1-CB 3.59Å; V617-L623 HydrophobicContact CG1-CD1 4.05Å; V617-L623 HydrophobicContact CG1-CD2 4.43Å; V617-L623 HydrophobicContact CG1-CG 4.23Å; V617-V627 HydrophobicContact CG1-CG2 4.11Å |
| 618 | R | 94.7 | Very high | 96.1 | Very high | 117 Ų | 117 | 33.6 Ų | 33.6 | 44% | 0.442 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -5.8 | 179.9 | -69.1 | 176.6 | 92.6 | -168.9 | 5.6 | 114.7 | T614 H620 K624 V627 D628 | T614-R618 VanDerWaalsContact O-CB 3.27Å; T614-R618 WeakPolarHBondContact O-CB 3.48Å; T614-R618 WeakPolarHBondContact O-CG 3.33Å; T614-R618 PolarHBondContact O-N 3.29Å; R618-H620 PolarHBondContact O-N 2.9Å; R618-K624 HydrophobicContact CB-CB 4.33Å; R618-K624 HydrophobicContact CB-CG 4.06Å; R618-K624 HydrophobicContact CG-CB 4.49Å; R618-K624 HydrophobicContact CG-CG 4.12Å; R618-V627 HydrophobicContact CG-CB 4.23Å; R618-V627 HydrophobicContact CG-CG1 3.98Å; R618-V627 HydrophobicContact CG-CG2 4.5Å; R618-D628 IonicContact CZ-OD1 3.42Å; R618-D628 VanDerWaalsContact CZ-OD1 3.29Å; R618-D628 IonicContact NE-OD1 2.86Å; R618-D628 PolarHBondContact NE-OD1 3.02Å; R618-D628 VanDerWaalsContact NE-OD1 3.16Å; R618-D628 IonicContact NH2-OD1 2.88Å; R618-D628 PolarHBondContact NH2-OD1 3.37Å; R618-D628 IonicContact NH2-OD2 3.41Å |
| 619 | N | 93.9 | Very high | 96 | Very high | 106 Ų | 106 | 34.3 Ų | 34.3 | 57% | 0.567 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -12.7 | 172.7 | -58.8 | -64.4 | 0 | 0 | 0 | 112.9 | G586 Q615 T616 V617 | G586-N619 VanDerWaalsContact CA-ND2 3.3Å; G586-N619 WeakPolarHBondContact CA-ND2 3.41Å; Q615-N619 PolarHBondContact O-ND2 3.05Å; T616-N619 PolarHBondContact O-ND2 3.15Å; V617-N619 PolarHBondContact O-N 3.34Å; V617-N619 VanDerWaalsContact O-N 3.1Å |
| 620 | H | 94.8 | Very high | 96 | Very high | 46 Ų | 46 | 34.4 Ų | 34.4 | 21% | 0.213 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -105.6 | 126.2 | 172.7 | -166.2 | -96.1 | 0 | 0 | 0 | 110.8 | V588 D594 V617 R618 F622 L623 K624 | V588-H620 HydrophobicContact CG1-CB 4.3Å; V588-H620 HydrophobicContact CG2-CB 3.91Å; D594-H620 IonicContact OD1-CE1 3.77Å; D594-H620 PolarHBondContact OD1-CE1 3.3Å; D594-H620 IonicContact OD1-ND1 2.73Å; V617-H620 PolarHBondContact O-N 2.97Å; R618-H620 PolarHBondContact O-N 2.9Å; H620-F622 PolarHBondContact O-N 3.2Å; H620-L623 HydrophobicContact CB-CB 4.16Å; H620-L623 HydrophobicContact CB-CD1 3.88Å; H620-L623 HydrophobicContact CB-CG 4.21Å; H620-L623 PolarHBondContact O-N 3.18Å; H620-L623 VanDerWaalsContact O-N 3.12Å; H620-K624 WeakPolarHBondContact O-CB 3.42Å; H620-K624 PolarHBondContact O-N 3.04Å |
| 621 | A | 95.3 | Very high | 95.9 | Very high | 80 Ų | 80 | 38 Ų | 38 | 66% | 0.661 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -56.4 | -46.7 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | L623 K624 S625 | A621-L623 PolarHBondContact O-N 3.05Å; A621-K624 WeakPolarHBondContact O-CB 3.43Å; A621-K624 PolarHBondContact O-N 2.85Å; A621-S625 PolarHBondContact O-N 3.24Å |
| 622 | F | 95.4 | Very high | 95.8 | Very high | 15 Ų | 15 | 45.4 Ų | 45.4 | 7% | 0.066 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -69.9 | -29.1 | 179.8 | -172.4 | -95.2 | 0 | 0 | 0 | 113.9 | W451 E455 M456 D594 I597 H620 S625 L626 | W451-F622 AromaticContact CH2-CE1 3.53Å; W451-F622 HydrophobicContact CH2-CE1 3.53Å; W451-F622 AromaticContact CH2-CZ 3.52Å; W451-F622 HydrophobicContact CH2-CZ 3.52Å; W451-F622 HydrophobicContact CZ2-CD1 4.18Å; W451-F622 AromaticContact CZ2-CE1 3.39Å; W451-F622 HydrophobicContact CZ2-CE1 3.39Å; W451-F622 HydrophobicContact CZ2-CE2 4.21Å; W451-F622 AromaticContact CZ2-CZ 3.4Å; W451-F622 HydrophobicContact CZ2-CZ 3.4Å; W451-F622 VanDerWaalsContact CZ2-CZ 3.4Å; E455-F622 HydrophobicContact CB-CD2 4.34Å; E455-F622 HydrophobicContact CB-CE2 3.67Å; E455-F622 HydrophobicContact CB-CZ 4.43Å; M456-F622 HydrophobicContact CE-CD2 4.41Å; M456-F622 HydrophobicContact CE-CE1 4.26Å; M456-F622 HydrophobicContact CE-CE2 3.53Å; M456-F622 HydrophobicContact CE-CZ 3.46Å; M456-F622 VanDerWaalsContact CE-CZ 3.46Å; M456-F622 HydrophobicContact CG-CE2 4.11Å; M456-F622 HydrophobicContact CG-CZ 4.05Å; D594-F622 HydrophobicContact CB-CB 4.39Å; D594-F622 HydrophobicContact CB-CD1 3.65Å; D594-F622 HydrophobicContact CB-CD2 3.94Å; D594-F622 HydrophobicContact CB-CE1 3.83Å; D594-F622 HydrophobicContact CB-CE2 4.08Å; D594-F622 HydrophobicContact CB-CG 3.72Å; D594-F622 HydrophobicContact CB-CZ 4.05Å; D594-F622 WeakPolarHBondContact OD1-CB 3.13Å; D594-F622 WeakPolarHBondContact OD1-CD1 3.23Å; D594-F622 VanDerWaalsContact OD1-CG 3.27Å; D594-F622 WeakPolarHBondContact OD1-CG 3.47Å; I597-F622 HydrophobicContact CB-CD1 4.33Å; I597-F622 HydrophobicContact CB-CE1 3.9Å; I597-F622 HydrophobicContact CG2-CD1 4.47Å; I597-F622 HydrophobicContact CG2-CE1 4.03Å; H620-F622 PolarHBondContact O-N 3.2Å; F622-S625 PolarHBondContact O-OG 3.15Å; F622-L626 PolarHBondContact O-N 3.08Å |
| 623 | L | 95.6 | Very high | 95.7 | Very high | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -79.1 | -32.7 | 174.4 | -68.9 | 172 | 0 | 0 | 0 | 111.1 | L579 V588 L591 I597 V617 H620 A621 L626 V627 | L579-L623 HydrophobicContact CD1-CD2 4.44Å; V588-L623 HydrophobicContact CB-CD1 4.26Å; V588-L623 HydrophobicContact CG1-CD1 4.19Å; V588-L623 HydrophobicContact CG2-CD1 4.43Å; L591-L623 HydrophobicContact CB-CD1 3.91Å; L591-L623 HydrophobicContact CD1-CD1 4.32Å; I597-L623 HydrophobicContact CB-CD2 4.47Å; I597-L623 HydrophobicContact CD1-CD2 3.92Å; I597-L623 HydrophobicContact CG1-CD2 3.77Å; I597-L623 HydrophobicContact CG2-CD2 4Å; V617-L623 HydrophobicContact CG1-CB 3.59Å; V617-L623 HydrophobicContact CG1-CD1 4.05Å; V617-L623 HydrophobicContact CG1-CD2 4.43Å; V617-L623 HydrophobicContact CG1-CG 4.23Å; H620-L623 HydrophobicContact CB-CB 4.16Å; H620-L623 HydrophobicContact CB-CD1 3.88Å; H620-L623 HydrophobicContact CB-CG 4.21Å; H620-L623 PolarHBondContact O-N 3.18Å; H620-L623 VanDerWaalsContact O-N 3.12Å; A621-L623 PolarHBondContact O-N 3.05Å; L623-L626 PolarHBondContact O-N 3.01Å; L623-V627 WeakPolarHBondContact O-CG2 3.47Å; L623-V627 PolarHBondContact O-N 2.67Å |
| 624 | K | 96.5 | Very high | 95.6 | Very high | 91 Ų | 91 | 49.4 Ų | 49.4 | 40% | 0.396 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.2 | -45.6 | 171.5 | -169.9 | -163.8 | 171.9 | -150.9 | 0 | 110.6 | R618 H620 A621 L626 V627 D628 | R618-K624 HydrophobicContact CB-CB 4.33Å; R618-K624 HydrophobicContact CB-CG 4.06Å; R618-K624 HydrophobicContact CG-CB 4.49Å; R618-K624 HydrophobicContact CG-CG 4.12Å; H620-K624 WeakPolarHBondContact O-CB 3.42Å; H620-K624 PolarHBondContact O-N 3.04Å; A621-K624 WeakPolarHBondContact O-CB 3.43Å; A621-K624 PolarHBondContact O-N 2.85Å; K624-L626 VanDerWaalsContact C-N 3.3Å; K624-L626 PolarHBondContact O-N 2.85Å; K624-V627 PolarHBondContact O-N 2.82Å; K624-D628 WeakPolarHBondContact CE-OD2 3.2Å; K624-D628 WeakPolarHBondContact CG-OD2 3.35Å; K624-D628 IonicContact NZ-OD2 3.2Å; K624-D628 WeakPolarHBondContact O-CB 3.15Å; K624-D628 PolarHBondContact O-N 2.62Å |
| 625 | S | 97.3 | Very high | 95.6 | Very high | 24 Ų | 24 | 51.2 Ų | 51.2 | 17% | 0.168 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.6 | -33.3 | 177.6 | 66.5 | 0 | 0 | 0 | 0 | 113.1 | E455 A621 F622 H629 | E455-S625 VanDerWaalsContact CD-OG 3.3Å; E455-S625 WeakPolarHBondContact OE2-CB 3.34Å; E455-S625 PolarHBondContact OE2-OG 2.87Å; A621-S625 PolarHBondContact O-N 3.24Å; F622-S625 PolarHBondContact O-OG 3.15Å; S625-H629 VanDerWaalsContact O-CB 3.26Å; S625-H629 WeakPolarHBondContact O-CB 3.34Å; S625-H629 PolarHBondContact O-N 3.09Å |
| 626 | L | 97 | Very high | 95.7 | Very high | 6 Ų | 6 | 47.5 Ų | 47.5 | 3% | 0.031 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.5 | -48.7 | 170.4 | 178.9 | 61.7 | 0 | 0 | 0 | 112.3 | W451 I597 V601 F622 L623 K624 H629 M630 | W451-L626 HydrophobicContact CD2-CD1 3.74Å; W451-L626 HydrophobicContact CE3-CD1 4.13Å; W451-L626 HydrophobicContact CG-CD1 4.15Å; W451-L626 HydrophobicContact CH2-CD1 4.44Å; W451-L626 HydrophobicContact CZ2-CB 3.83Å; W451-L626 HydrophobicContact CZ2-CD1 4.06Å; W451-L626 HydrophobicContact CZ2-CD2 4.41Å; W451-L626 HydrophobicContact CZ2-CG 4.31Å; W451-L626 HydrophobicContact CZ3-CD1 4.48Å; W451-L626 VanDerWaalsContact NE1-CA 3.28Å; I597-L626 HydrophobicContact CG2-CD2 3.91Å; V601-L626 HydrophobicContact CG2-CD1 4.17Å; V601-L626 HydrophobicContact CG2-CD2 4.02Å; F622-L626 PolarHBondContact O-N 3.08Å; L623-L626 PolarHBondContact O-N 3.01Å; K624-L626 VanDerWaalsContact C-N 3.3Å; K624-L626 PolarHBondContact O-N 2.85Å; L626-H629 PolarHBondContact O-N 3.22Å; L626-M630 HydrophobicContact CD1-CG 4.15Å; L626-M630 HydrophobicContact CD1-SD 4.01Å; L626-M630 HydrophobicContact CG-SD 4.26Å; L626-M630 WeakPolarHBondContact O-CB 3.45Å; L626-M630 VanDerWaalsContact O-CG 3.3Å; L626-M630 WeakPolarHBondContact O-CG 3.17Å; L626-M630 PolarHBondContact O-N 3.38Å |
| 627 | V | 97 | Very high | 95.8 | Very high | 6 Ų | 6 | 48.3 Ų | 48.3 | 4% | 0.036 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63 | -43.6 | 178.9 | 167.8 | 0 | 0 | 0 | 0 | 111.3 | L490 T614 V617 R618 L623 K624 M630 T631 | L490-V627 HydrophobicContact CD2-CG1 4.04Å; T614-V627 HydrophobicContact CG2-CG1 3.82Å; T614-V627 HydrophobicContact CG2-CG2 4.43Å; V617-V627 HydrophobicContact CG1-CG2 4.11Å; R618-V627 HydrophobicContact CG-CB 4.23Å; R618-V627 HydrophobicContact CG-CG1 3.98Å; R618-V627 HydrophobicContact CG-CG2 4.5Å; L623-V627 WeakPolarHBondContact O-CG2 3.47Å; L623-V627 PolarHBondContact O-N 2.67Å; K624-V627 PolarHBondContact O-N 2.82Å; V627-M630 PolarHBondContact O-N 2.82Å; V627-T631 WeakPolarHBondContact O-CB 3.41Å; V627-T631 PolarHBondContact O-N 2.89Å; V627-T631 PolarHBondContact O-OG1 3.26Å |
| 628 | D | 97.6 | Very high | 95.8 | Very high | 35 Ų | 35 | 50.5 Ų | 50.5 | 19% | 0.187 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.8 | -47.3 | 179.3 | -65.3 | -7.1 | 0 | 0 | 0 | 109.8 | R618 K624 M630 T631 E632 | R618-D628 IonicContact CZ-OD1 3.42Å; R618-D628 VanDerWaalsContact CZ-OD1 3.29Å; R618-D628 IonicContact NE-OD1 2.86Å; R618-D628 PolarHBondContact NE-OD1 3.02Å; R618-D628 VanDerWaalsContact NE-OD1 3.16Å; R618-D628 IonicContact NH2-OD1 2.88Å; R618-D628 PolarHBondContact NH2-OD1 3.37Å; R618-D628 IonicContact NH2-OD2 3.41Å; K624-D628 WeakPolarHBondContact CE-OD2 3.2Å; K624-D628 WeakPolarHBondContact CG-OD2 3.35Å; K624-D628 IonicContact NZ-OD2 3.2Å; K624-D628 WeakPolarHBondContact O-CB 3.15Å; K624-D628 PolarHBondContact O-N 2.62Å; D628-M630 PolarHBondContact O-N 3.44Å; D628-T631 WeakPolarHBondContact O-CA 3.38Å; D628-T631 WeakPolarHBondContact O-CB 3.48Å; D628-T631 PolarHBondContact O-N 2.85Å; D628-E632 WeakPolarHBondContact O-CG 3.33Å; D628-E632 PolarHBondContact O-N 3.3Å |
| 629 | H | 97.4 | Very high | 95.7 | Very high | 17 Ų | 17 | 44.9 Ų | 44.9 | 8% | 0.079 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.4 | -43.5 | 174.7 | -178 | 92.2 | 0 | 0 | 0 | 113.3 | A447 E450 W451 S625 L626 T631 E632 V633 | A447-H629 PolarHBondContact O-NE2 3.44Å; E450-H629 IonicContact OE2-CE1 2.74Å; W451-H629 HydrophobicContact CB-CB 4.44Å; W451-H629 HydrophobicContact CG-CB 4.49Å; S625-H629 VanDerWaalsContact O-CB 3.26Å; S625-H629 WeakPolarHBondContact O-CB 3.34Å; S625-H629 PolarHBondContact O-N 3.09Å; L626-H629 PolarHBondContact O-N 3.22Å; H629-T631 PolarHBondContact O-N 3.33Å; H629-E632 PolarHBondContact O-N 3.33Å; H629-V633 PolarHBondContact O-N 3.37Å |
| 630 | M | 97.1 | Very high | 95.5 | Very high | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68.1 | -22.3 | 176.2 | -69.5 | -172.9 | 77.5 | 0 | 0 | 113.1 | L488 L489 L490 V610 L626 V627 D628 G634 | L488-M630 HydrophobicContact CB-CE 4.28Å; L488-M630 HydrophobicContact CD2-CE 4.44Å; L489-M630 VanDerWaalsContact C-CE 3.4Å; L489-M630 VanDerWaalsContact O-CE 3.23Å; L489-M630 WeakPolarHBondContact O-CE 3.42Å; L490-M630 HydrophobicContact CB-CB 4.23Å; L490-M630 HydrophobicContact CB-CE 4.27Å; V610-M630 HydrophobicContact CB-CE 4.07Å; V610-M630 HydrophobicContact CB-SD 3.94Å; V610-M630 HydrophobicContact CG2-CE 3.8Å; V610-M630 HydrophobicContact CG2-SD 3.53Å; V610-M630 VanDerWaalsContact CG2-SD 3.53Å; L626-M630 HydrophobicContact CD1-CG 4.15Å; L626-M630 HydrophobicContact CD1-SD 4.01Å; L626-M630 HydrophobicContact CG-SD 4.26Å; L626-M630 WeakPolarHBondContact O-CB 3.45Å; L626-M630 VanDerWaalsContact O-CG 3.3Å; L626-M630 WeakPolarHBondContact O-CG 3.17Å; L626-M630 PolarHBondContact O-N 3.38Å; V627-M630 PolarHBondContact O-N 2.82Å; D628-M630 PolarHBondContact O-N 3.44Å; M630-G634 CarbonylContact O-C 3.58Å; M630-G634 WeakPolarHBondContact O-CA 3.38Å; M630-G634 PolarHBondContact O-N 3.08Å; M630-G634 VanDerWaalsContact O-N 3.13Å |
| 631 | T | 96.6 | Very high | 95.2 | Very high | 77 Ų | 77 | 47.5 Ų | 47.5 | 47% | 0.472 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -81.1 | -32.5 | 174.2 | -55.7 | 0 | 0 | 0 | 0 | 112.1 | V627 D628 H629 V636 | V627-T631 WeakPolarHBondContact O-CB 3.41Å; V627-T631 PolarHBondContact O-N 2.89Å; V627-T631 PolarHBondContact O-OG1 3.26Å; D628-T631 WeakPolarHBondContact O-CA 3.38Å; D628-T631 WeakPolarHBondContact O-CB 3.48Å; D628-T631 PolarHBondContact O-N 2.85Å; H629-T631 PolarHBondContact O-N 3.33Å; T631-V636 HydrophobicContact CG2-CG2 4.22Å |
| 632 | E | 95.8 | Very high | 94.8 | Very high | 156 Ų | 156 | 45.1 Ų | 45.1 | 73% | 0.729 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -80 | -41.5 | 179.2 | -71.8 | 171.2 | -170.8 | 0 | 0 | 113 | D628 H629 | D628-E632 WeakPolarHBondContact O-CG 3.33Å; D628-E632 PolarHBondContact O-N 3.3Å; H629-E632 PolarHBondContact O-N 3.33Å |
| 633 | V | 94.4 | Very high | 94.2 | Very high | 69 Ų | 69 | 46 Ų | 46 | 42% | 0.418 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -109.5 | -23.3 | -170.8 | -174.2 | 0 | 0 | 0 | 0 | 113 | A447 L488 H629 | A447-V633 HydrophobicContact CB-CG1 3.85Å; L488-V633 HydrophobicContact CD1-CB 4.13Å; L488-V633 HydrophobicContact CD1-CG1 4.14Å; H629-V633 PolarHBondContact O-N 3.37Å |
| 634 | G | 93.5 | Very high | 92.8 | Very high | 22 Ų | 22 | 55.2 Ų | 55.2 | 23% | 0.227 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -101.9 | -174 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | M630 | M630-G634 CarbonylContact O-C 3.58Å; M630-G634 WeakPolarHBondContact O-CA 3.38Å; M630-G634 PolarHBondContact O-N 3.08Å; M630-G634 VanDerWaalsContact O-N 3.13Å |
| 635 | E | 95.9 | Very high | 91 | Very high | 57 Ų | 57 | 58.3 Ų | 58.3 | 27% | 0.266 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 136.9 | 168.8 | -170.2 | -179 | 166.2 | 0 | 0 | 109.7 | T486 L488 L489 L490 R637 | T486-E635 HydrophobicContact CG2-CB 4.36Å; L488-E635 PolarHBondContact O-N 3.32Å; L489-E635 CarbonylContact C-O 3.58Å; L489-E635 WeakPolarHBondContact CA-O 3.48Å; L489-E635 HydrophobicContact CD1-CB 3.98Å; L489-E635 HydrophobicContact CD1-CG 4.12Å; L490-E635 PolarHBondContact N-O 3.25Å; E635-R637 IonicContact OE1-CZ 3.9Å; E635-R637 IonicContact OE1-NE 2.79Å; E635-R637 PolarHBondContact OE1-NE 3.2Å; E635-R637 IonicContact OE1-NH2 3.92Å; E635-R637 PolarHBondContact OE1-NH2 3.28Å; E635-R637 IonicContact OE2-NH2 2.71Å |
| 636 | V | 96.5 | Very high | 89.1 | Confident | 67 Ų | 67 | 58.9 Ų | 58.9 | 41% | 0.406 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 125.9 | 176.1 | -172.8 | 0 | 0 | 0 | 0 | 109.8 | L490 T631 | L490-V636 HydrophobicContact CB-CG1 4.38Å; L490-V636 HydrophobicContact CB-CG2 4.24Å; L490-V636 HydrophobicContact CD2-CG1 4.13Å; L490-V636 HydrophobicContact CD2-CG2 4.26Å; L490-V636 HydrophobicContact CG-CG1 4.35Å; L490-V636 WeakPolarHBondContact O-CA 3.27Å; T631-V636 HydrophobicContact CG2-CG2 4.22Å |
| 637 | R | 95.1 | Very high | 86.6 | Confident | 20 Ų | 20 | 64.1 Ų | 64.1 | 8% | 0.075 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 151.4 | 174.8 | -63.3 | -177 | -175.2 | -166 | -9.8 | 110.1 | E482 E483 L489 L490 I491 D492 E635 E641 Y642 | E482-R637 VanDerWaalsContact CB-NH2 3.31Å; E482-R637 IonicContact OE2-CZ 3.8Å; E482-R637 IonicContact OE2-NH2 2.76Å; E482-R637 PolarHBondContact OE2-NH2 3.07Å; E483-R637 IonicContact OE1-CZ 3.52Å; E483-R637 IonicContact OE1-NH1 3.48Å; E483-R637 PolarHBondContact OE1-NH1 3.27Å; E483-R637 IonicContact OE1-NH2 3.13Å; L489-R637 HydrophobicContact CD1-CG 4.02Å; L490-R637 PolarHBondContact O-N 3.23Å; I491-R637 CarbonylContact C-O 3.54Å; I491-R637 WeakPolarHBondContact CA-O 3.09Å; D492-R637 PolarHBondContact N-O 2.77Å; E635-R637 IonicContact OE1-CZ 3.9Å; E635-R637 IonicContact OE1-NE 2.79Å; E635-R637 PolarHBondContact OE1-NE 3.2Å; E635-R637 IonicContact OE1-NH2 3.92Å; E635-R637 PolarHBondContact OE1-NH2 3.28Å; E635-R637 IonicContact OE2-NH2 2.71Å; R637-E641 WeakPolarHBondContact CA-OE1 3.32Å; R637-Y642 HydrophobicContact CB-CE2 4.07Å |
| 638 | T | 94.5 | Very high | 84 | Confident | 46 Ų | 46 | 67.6 Ų | 67.6 | 28% | 0.282 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 147.3 | 171.8 | -178.8 | 0 | 0 | 0 | 0 | 111.6 | F640 E641 | T638-F640 HydrophobicContact CG2-CB 3.99Å; T638-F640 HydrophobicContact CG2-CD2 4.31Å; T638-F640 PolarHBondContact O-N 2.8Å; T638-F640 WeakPolarHBondContact OG1-CD2 3.43Å; T638-E641 HydrophobicContact CG2-CG 4.02Å; T638-E641 WeakPolarHBondContact CG2-OE1 3.43Å; T638-E641 PolarHBondContact N-OE1 2.62Å; T638-E641 WeakPolarHBondContact O-CB 3.33Å; T638-E641 PolarHBondContact O-N 2.78Å |
| 639 | A | 91.9 | Very high | 81.2 | Confident | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -57.5 | -21 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | D492 T493 C496 L498 I517 E641 Y642 L643 | D492-A639 WeakPolarHBondContact O-CB 3.37Å; D492-A639 PolarHBondContact O-N 3.03Å; T493-A639 HydrophobicContact CG2-CB 4.21Å; C496-A639 HydrophobicContact CB-CB 4.23Å; L498-A639 HydrophobicContact CD1-CB 3.9Å; I517-A639 HydrophobicContact CD1-CB 3.49Å; I517-A639 VanDerWaalsContact CD1-CB 3.49Å; I517-A639 HydrophobicContact CG1-CB 4.4Å; A639-E641 PolarHBondContact O-N 2.96Å; A639-Y642 PolarHBondContact O-N 2.71Å; A639-Y642 VanDerWaalsContact O-N 3.15Å; A639-L643 PolarHBondContact O-N 3.27Å |
| 640 | F | 89.4 | Confident | 78.3 | Confident | 90 Ų | 90 | 80.8 Ų | 80.8 | 40% | 0.395 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60.2 | -27 | 171 | -70.2 | -70.6 | 0 | 0 | 0 | 113.5 | C496 T638 Y642 I646 | C496-F640 HydrophobicContact CB-CE2 4.5Å; C496-F640 HydrophobicContact CB-CZ 4.45Å; C496-F640 VanDerWaalsContact SG-CD2 3.54Å; C496-F640 WeakPolarHBondContact SG-CE2 3.29Å; T638-F640 HydrophobicContact CG2-CB 3.99Å; T638-F640 HydrophobicContact CG2-CD2 4.31Å; T638-F640 PolarHBondContact O-N 2.8Å; T638-F640 WeakPolarHBondContact OG1-CD2 3.43Å; F640-Y642 VanDerWaalsContact C-N 3.34Å; F640-I646 HydrophobicContact CD1-CB 4.11Å; F640-I646 HydrophobicContact CD1-CG2 4.09Å; F640-I646 HydrophobicContact CE1-CB 4.09Å; F640-I646 HydrophobicContact CE1-CG2 3.56Å; F640-I646 HydrophobicContact CZ-CG2 4.46Å |
| 641 | E | 88.8 | Confident | 75.3 | Confident | 116 Ų | 116 | 90.8 Ų | 90.8 | 54% | 0.542 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -72.4 | -30.3 | 176.5 | -64.8 | 166.1 | -121 | 0 | 0 | 112 | R637 T638 A639 | R637-E641 WeakPolarHBondContact CA-OE1 3.32Å; T638-E641 HydrophobicContact CG2-CG 4.02Å; T638-E641 WeakPolarHBondContact CG2-OE1 3.43Å; T638-E641 PolarHBondContact N-OE1 2.62Å; T638-E641 WeakPolarHBondContact O-CB 3.33Å; T638-E641 PolarHBondContact O-N 2.78Å; A639-E641 PolarHBondContact O-N 2.96Å |
| 642 | Y | 87.3 | Confident | 72.1 | Confident | 31 Ų | 31 | 93.1 Ų | 93.1 | 12% | 0.122 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -86.9 | -33 | -178.7 | -71.8 | -95.7 | 0 | 0 | 0 | 112.6 | I491 I517 L520 H521 R637 A639 F640 | I491-Y642 HydrophobicContact CD1-CE1 4.22Å; I491-Y642 HydrophobicContact CD1-CE2 3.97Å; I491-Y642 WeakPolarHBondContact CD1-OH 3.29Å; I491-Y642 HydrophobicContact CG1-CE2 4.12Å; I491-Y642 HydrophobicContact CG2-CD2 3.89Å; I491-Y642 HydrophobicContact CG2-CE2 3.71Å; I517-Y642 HydrophobicContact CG2-CD1 4.39Å; I517-Y642 HydrophobicContact CG2-CG 4.31Å; L520-Y642 HydrophobicContact CB-CD1 3.98Å; L520-Y642 HydrophobicContact CD1-CD1 4.48Å; L520-Y642 VanDerWaalsContact CD1-O 3.3Å; L520-Y642 WeakPolarHBondContact CD1-O 3.36Å; H521-Y642 HydrophobicContact CB-CE1 4.43Å; R637-Y642 HydrophobicContact CB-CE2 4.07Å; A639-Y642 PolarHBondContact O-N 2.71Å; A639-Y642 VanDerWaalsContact O-N 3.15Å; F640-Y642 VanDerWaalsContact C-N 3.34Å |
| 643 | L | 83.4 | Confident | 68.8 | Low | 34 Ų | 34 | 97.2 Ų | 97.2 | 18% | 0.178 | 49% | 0.486 | C | S | . | . | trans | -119.1 | 93.4 | -167.9 | -64.1 | 173.5 | 0 | 0 | 0 | 112 | L498 D516 I517 L520 A639 D645 I646 | L498-L643 HydrophobicContact CD1-CD1 3.88Å; L498-L643 HydrophobicContact CD2-CD1 4.25Å; D516-L643 HydrophobicContact CB-CD2 4.3Å; I517-L643 HydrophobicContact CD1-CD1 4.22Å; I517-L643 HydrophobicContact CG1-CD1 3.85Å; I517-L643 HydrophobicContact CG1-CG 4.28Å; L520-L643 HydrophobicContact CD1-CD2 4.01Å; A639-L643 PolarHBondContact O-N 3.27Å; L643-D645 PolarHBondContact O-N 3.03Å; L643-I646 HydrophobicContact CB-CD1 3.65Å; L643-I646 HydrophobicContact CB-CG1 3.68Å; L643-I646 HydrophobicContact CD1-CD1 3.83Å; L643-I646 HydrophobicContact CD1-CG1 4.41Å; L643-I646 HydrophobicContact CG-CD1 4.38Å; L643-I646 PolarHBondContact O-N 2.97Å | ||
| 644 | Q | 66.6 | Low | 65.6 | Low | 193 Ų | 193 | 101.6 Ų | 101.6 | 90% | 0.902 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -20.3 | -178.2 | -63.2 | -179.8 | 0.4 | 0 | 0 | 114.2 | ||
| 645 | D | 58.7 | Low | 62.4 | Low | 156 Ų | 156 | 111.8 Ų | 111.8 | 83% | 0.834 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | 0.5 | -176.6 | -66.5 | -41.4 | 0 | 0 | 0 | 114.3 | L643 V647 | L643-D645 PolarHBondContact O-N 3.03Å; D645-V647 VanDerWaalsContact C-N 3.31Å; D645-V647 PolarHBondContact O-N 2.99Å |
| 646 | I | 57 | Low | 59.3 | Low | 36 Ų | 36 | 118.7 Ų | 118.7 | 19% | 0.185 | 57% | 0.568 | C | S | . | * | trans | -74.6 | 85.3 | 176.6 | -53.2 | -177.6 | 0 | 0 | 0 | 110 | C496 L498 F640 L643 P648 | C496-I646 HydrophobicContact CB-CD1 4.03Å; L498-I646 HydrophobicContact CD1-CD1 4.4Å; L498-I646 HydrophobicContact CD2-CD1 4.22Å; L498-I646 HydrophobicContact CG-CD1 4.48Å; F640-I646 HydrophobicContact CD1-CB 4.11Å; F640-I646 HydrophobicContact CD1-CG2 4.09Å; F640-I646 HydrophobicContact CE1-CB 4.09Å; F640-I646 HydrophobicContact CE1-CG2 3.56Å; F640-I646 HydrophobicContact CZ-CG2 4.46Å; L643-I646 HydrophobicContact CB-CD1 3.65Å; L643-I646 HydrophobicContact CB-CG1 3.68Å; L643-I646 HydrophobicContact CD1-CD1 3.83Å; L643-I646 HydrophobicContact CD1-CG1 4.41Å; L643-I646 HydrophobicContact CG-CD1 4.38Å; L643-I646 PolarHBondContact O-N 2.97Å; I646-P648 VanDerWaalsContact O-CD 3.27Å; I646-P648 WeakPolarHBondContact O-CD 3.44Å | ||
| 647 | V | 44.6 | Very low | 56.1 | Low | 117 Ų | 117 | 123.1 Ų | 123.1 | 71% | 0.709 | 59% | 0.59 | S | S | * | * | trans | -66.4 | 119.6 | 168.5 | -178 | 0 | 0 | 0 | 0 | 109.1 | D645 Q649 | D645-V647 VanDerWaalsContact C-N 3.31Å; D645-V647 PolarHBondContact O-N 2.99Å; V647-Q649 PolarHBondContact O-N 2.81Å | ||
| 648 | P | 41.7 | Very low | 52.7 | Low | 79 Ų | 79 | 128 Ų | 128 | 51% | 0.513 | 62% | 0.622 | S | S | . | * | trans | -65.5 | 111.4 | 177.4 | -20.4 | 33.5 | 0 | 0 | 0 | 110.5 | I646 N650 | I646-P648 VanDerWaalsContact O-CD 3.27Å; I646-P648 WeakPolarHBondContact O-CD 3.44Å; P648-N650 PolarHBondContact O-N 3.19Å | ||
| 649 | Q | 40 | Very low | 49.4 | Very low | 176 Ų | 176 | 136 Ų | 136 | 82% | 0.822 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -66.9 | -1.2 | -177.9 | -67.3 | -173.9 | -3.8 | 0 | 0 | 114.2 | V647 | V647-Q649 PolarHBondContact O-N 2.81Š|
| 650 | N | 35.4 | Very low | 46.1 | Very low | 153 Ų | 153 | 141.5 Ų | 141.5 | 82% | 0.818 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -93 | 7.2 | -171.6 | -67.7 | -18.3 | 0 | 0 | 0 | 115.2 | P648 | P648-N650 PolarHBondContact O-N 3.19Š|
| 651 | Y | 33.4 | Very low | 42.9 | Very low | 212 Ų | 212 | 144 Ų | 144 | 83% | 0.831 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -117.7 | 6.9 | -176.9 | -89.2 | -79.2 | 0 | 0 | 0 | 116.9 | R653 | Y651-R653 PolarHBondContact O-N 3.37Å; Y651-R653 VanDerWaalsContact O-N 3.14Å |
| 652 | T | 30.3 | Very low | 39.8 | Very low | 126 Ų | 126 | 145.5 Ų | 145.5 | 77% | 0.773 | 72% | 0.721 | S | S | * | * | trans | -82.8 | 89 | 167.8 | 48 | 0 | 0 | 0 | 0 | 111.3 | D654 | T652-D654 PolarHBondContact O-N 3.01Å; T652-D654 VanDerWaalsContact O-N 3.16Å | ||
| 653 | R | 27.5 | Very low | 36.7 | Very low | 242 Ų | 242 | 149 Ų | 149 | 91% | 0.913 | 75% | 0.75 | S | S | * | * | trans | -68.3 | 103.3 | 174.5 | -168.5 | 177.4 | -170.9 | 167.6 | 3.6 | 110.3 | Y651 R655 | Y651-R653 PolarHBondContact O-N 3.37Å; Y651-R653 VanDerWaalsContact O-N 3.14Å; R653-R655 PolarHBondContact O-N 3.4Å; R653-R655 VanDerWaalsContact O-N 3.09Å | ||
| 654 | D | 25.5 | Very low | 33.8 | Very low | 161 Ų | 161 | 153.5 Ų | 153.5 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | trans | -54.5 | 112.5 | -177.7 | -103 | -26.7 | 0 | 0 | 0 | 112.6 | T652 | T652-D654 PolarHBondContact O-N 3.01Å; T652-D654 VanDerWaalsContact O-N 3.16Å | ||
| 655 | R | 27.6 | Very low | 31.7 | Very low | 236 Ų | 236 | 150.7 Ų | 150.7 | 89% | 0.891 | 78% | 0.78 | S | S | * | * | trans | -93 | 99.4 | 174.4 | -129.1 | -178.8 | -179.3 | -179.6 | -0.9 | 108.6 | R653 D657 | R653-R655 PolarHBondContact O-N 3.4Å; R653-R655 VanDerWaalsContact O-N 3.09Å; R655-D657 PolarHBondContact O-N 3.37Å; R655-D657 VanDerWaalsContact O-N 3.15Å | ||
| 656 | K | 29.9 | Very low | 30 | Very low | 201 Ų | 201 | 148.7 Ų | 148.7 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | trans | -64.3 | 109.1 | 169.9 | -75.2 | 179.5 | 176.7 | 174.1 | 0 | 109.8 | ||||
| 657 | D | 30.2 | Very low | 28.4 | Very low | 161 Ų | 161 | 152 Ų | 152 | 86% | 0.861 | 81% | 0.805 | S | S | * | * | trans | -85 | 133.1 | 163.3 | -96 | -33.5 | 0 | 0 | 0 | 111.1 | R655 | R655-D657 PolarHBondContact O-N 3.37Å; R655-D657 VanDerWaalsContact O-N 3.15Å | ||
| 658 | T | 23.8 | Very low | 27.3 | Very low | 122 Ų | 122 | 156.5 Ų | 156.5 | 75% | 0.748 | 82% | 0.815 | S | S | * | * | trans | -90.5 | 132.6 | -171.2 | -33.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 659 | K | 24.9 | Very low | 26.4 | Very low | 213 Ų | 213 | 161.2 Ų | 161.2 | 93% | 0.926 | 83% | 0.83 | S | S | * | * | trans | -158.7 | 98 | 159.4 | -111.2 | 161.5 | -167.6 | 175.9 | 0 | 113.2 | ||||
| 660 | T | 21.6 | Very low | 25.7 | Very low | 116 Ų | 116 | 162.6 Ų | 162.6 | 71% | 0.712 | 83% | 0.834 | S | S | * | * | trans | -105.6 | 157.3 | 149.2 | 45.2 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 661 | N | 23.5 | Very low | 25.1 | Very low | 144 Ų | 144 | 162.5 Ų | 162.5 | 77% | 0.77 | 83% | 0.833 | S | S | * | * | cis | -159.9 | 146.8 | -2.9 | -111.8 | -10.8 | 0 | 0 | 0 | 106.7 | ||||
| 662 | T | 23.4 | Very low | 24.6 | Very low | 147 Ų | 147 | 163.2 Ų | 163.2 | 90% | 0.902 | 83% | 0.834 | S | S | * | * | trans | -154.1 | 120.6 | 144 | 10.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 663 | S | 22.1 | Very low | 24.3 | Very low | 105 Ų | 105 | 163.1 Ų | 163.1 | 73% | 0.734 | 83% | 0.829 | S | S | * | * | trans | -54.1 | 146.9 | 178.5 | 49.3 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 664 | S | 22.8 | Very low | 24.1 | Very low | 127 Ų | 127 | 159.6 Ų | 159.6 | 89% | 0.888 | 82% | 0.823 | S | S | * | * | -146.4 | 118.1 | 129.1 | 60.3 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 665 | T | 22 | Very low | 23.9 | Very low | 134 Ų | 134 | 156.3 Ų | 156.3 | 82% | 0.822 | 82% | 0.818 | S | S | * | * | trans | -104.7 | 136.4 | 178.9 | -14.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 666 | S | 23.1 | Very low | 24.4 | Very low | 114 Ų | 114 | 151.4 Ų | 151.4 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | trans | 169.6 | 155.5 | 150.8 | 39.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 667 | S | 23.2 | Very low | 24.1 | Very low | 105 Ų | 105 | 145.7 Ų | 145.7 | 73% | 0.734 | 82% | 0.815 | S | S | * | * | cis | -170.7 | 151.4 | -36.4 | 45.5 | 0 | 0 | 0 | 0 | 107.3 | Q669 | S667-Q669 PolarHBondContact O-N 3.03Š| ||
| 668 | K | 22.1 | Very low | 23.7 | Very low | 212 Ų | 212 | 148.3 Ų | 148.3 | 92% | 0.922 | 82% | 0.819 | S | S | * | * | trans | -62.4 | 131.4 | 161.8 | -82.1 | 179 | 174.2 | 175.8 | 0 | 109.1 | ||||
| 669 | Q | 22.7 | Very low | 23.7 | Very low | 179 Ų | 179 | 147.1 Ų | 147.1 | 84% | 0.836 | 82% | 0.821 | S | S | * | * | trans | -67.4 | 142.2 | 159.9 | -70.5 | 170.9 | -48.1 | 0 | 0 | 109.9 | S667 | S667-Q669 PolarHBondContact O-N 3.03Š| ||
| 670 | K | 24.3 | Very low | 23.6 | Very low | 205 Ų | 205 | 144.9 Ų | 144.9 | 89% | 0.891 | 81% | 0.811 | S | S | * | * | -162.3 | 160 | 116.5 | -108.9 | 179.3 | -179.9 | -171.4 | 0 | 112.1 | |||||
| 671 | N | 24.4 | Very low | 23.7 | Very low | 151 Ų | 151 | 147.1 Ų | 147.1 | 81% | 0.807 | 81% | 0.813 | S | S | * | * | trans | -73 | 160.4 | -158.4 | -60.8 | -13.1 | 0 | 0 | 0 | 115.3 | ||||
| 672 | R | 21.9 | Very low | 23.7 | Very low | 226 Ų | 226 | 143.6 Ų | 143.6 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | trans | -55.2 | 150.4 | 147.4 | -74.6 | 170.6 | 140.2 | 174.4 | -8.9 | 109.6 | ||||
| 673 | D | 23.3 | Very low | 23.9 | Very low | 125 Ų | 125 | 145.8 Ų | 145.8 | 67% | 0.668 | 81% | 0.811 | S | S | * | * | -161.2 | 150.9 | 72.5 | -98.9 | -52.4 | 0 | 0 | 0 | 115.1 | |||||
| 674 | Q | 23.8 | Very low | 23.9 | Very low | 168 Ų | 168 | 149.5 Ų | 149.5 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | trans | 38.5 | 112.7 | 143.9 | -62.4 | 165.9 | 60.2 | 0 | 0 | 119.7 | ||||
| 675 | A | 22.1 | Very low | 23.9 | Very low | 92 Ų | 92 | 148.8 Ų | 148.8 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | 99.5 | 174.1 | 69.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 676 | P | 38 | Very low | 24 | Very low | 133 Ų | 133 | 148.6 Ų | 148.6 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | -128.7 | 168.4 | -94.7 | 37 | -19.5 | 0 | 0 | 0 | 116.2 | |||||
| 677 | G | 22.3 | Very low | 23.9 | Very low | 80 Ų | 80 | 147.6 Ų | 147.6 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | trans | -177.1 | 150.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 678 | K | 22.7 | Very low | 23.8 | Very low | 217 Ų | 217 | 148 Ų | 148 | 94% | 0.943 | 80% | 0.799 | S | S | * | * | trans | -116.7 | 149.4 | -172.8 | -65.9 | 173.7 | 174.2 | 175.7 | 0 | 113.8 | ||||
| 679 | A | 22.9 | Very low | 23.8 | Very low | 96 Ų | 96 | 142.7 Ų | 142.7 | 79% | 0.793 | 79% | 0.789 | S | S | * | * | trans | -174.4 | 118.1 | 143.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 680 | K | 23.9 | Very low | 23.8 | Very low | 166 Ų | 166 | 142.8 Ų | 142.8 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | 90.3 | 114.3 | 73.3 | -102.1 | -171.8 | 172 | -92.9 | 0 | 115.1 | |||||
| 681 | E | 23.8 | Very low | 23.7 | Very low | 163 Ų | 163 | 138.8 Ų | 138.8 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | trans | 52.8 | 146.6 | 132.7 | -65.3 | 161.8 | 172.6 | 0 | 0 | 121.4 | ||||
| 682 | G | 23.4 | Very low | 23.7 | Very low | 70 Ų | 70 | 138.4 Ų | 138.4 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | cis | -163 | 156.2 | 2.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 683 | Q | 27 | Very low | 23.7 | Very low | 193 Ų | 193 | 133.6 Ų | 133.6 | 90% | 0.902 | 77% | 0.768 | S | S | * | * | 98.9 | 116.4 | 82.8 | -123 | -164.3 | 19.6 | 0 | 0 | 115.6 | |||||
| 684 | K | 22.6 | Very low | 23.7 | Very low | 184 Ų | 184 | 132.2 Ų | 132.2 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | 179.1 | 112.8 | 129 | -102.6 | -178 | 179.2 | -178.1 | 0 | 111 | |||||
| 685 | T | 22.9 | Very low | 23.7 | Very low | 112 Ų | 112 | 128 Ų | 128 | 69% | 0.687 | 78% | 0.777 | S | S | * | * | 64.5 | 136.2 | 104.6 | 60.8 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 686 | T | 22.6 | Very low | 23.8 | Very low | 129 Ų | 129 | 128.5 Ų | 128.5 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | cis | -173.8 | 169.8 | 3.8 | 16 | 0 | 0 | 0 | 0 | 107 | ||||
| 687 | S | 22 | Very low | 23.2 | Very low | 94 Ų | 94 | 130.7 Ų | 130.7 | 66% | 0.657 | 77% | 0.773 | S | S | * | * | cis | -171.1 | 171 | -7.1 | 45.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 688 | S | 21.5 | Very low | 23.3 | Very low | 113 Ų | 113 | 133 Ų | 133 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | trans | 61.6 | 143 | 163.3 | 43.8 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 689 | S | 21.6 | Very low | 23.4 | Very low | 100 Ų | 100 | 130.8 Ų | 130.8 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | cis | -171 | 148.3 | -0.3 | 40 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 690 | K | 23 | Very low | 23.5 | Very low | 182 Ų | 182 | 131.6 Ų | 131.6 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | trans | 54 | 144.8 | 141.4 | -70 | -172.7 | 172.8 | -169.5 | 0 | 120.4 | ||||
| 691 | D | 22.6 | Very low | 23.5 | Very low | 120 Ų | 120 | 133 Ų | 133 | 64% | 0.642 | 76% | 0.76 | S | S | * | * | cis | -145.9 | 145.3 | -2.5 | -89.4 | -41.8 | 0 | 0 | 0 | 106.8 | ||||
| 692 | N | 22.9 | Very low | 23.7 | Very low | 144 Ų | 144 | 130.2 Ų | 130.2 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | 45.4 | 127.1 | 81.6 | -74.9 | -22.5 | 0 | 0 | 0 | 113.3 | |||||
| 693 | T | 23.4 | Very low | 24.3 | Very low | 124 Ų | 124 | 135.9 Ų | 135.9 | 76% | 0.761 | 77% | 0.766 | S | S | * | * | cis | -149.7 | 146.3 | 36.8 | 33.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 694 | A | 23.2 | Very low | 24.7 | Very low | 96 Ų | 96 | 132.3 Ų | 132.3 | 79% | 0.793 | 76% | 0.757 | S | S | * | * | 54.2 | 134.5 | 75.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 695 | G | 23.1 | Very low | 25.2 | Very low | 81 Ų | 81 | 127.6 Ų | 127.6 | 84% | 0.835 | 75% | 0.748 | S | S | * | * | cis | -153.7 | -178.8 | 29.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 696 | S | 24 | Very low | 25.8 | Very low | 101 Ų | 101 | 126.5 Ų | 126.5 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | trans | -102.2 | 154.8 | -172 | 174 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 697 | Q | 24.8 | Very low | 26.4 | Very low | 180 Ų | 180 | 128.1 Ų | 128.1 | 84% | 0.841 | 75% | 0.749 | S | S | * | * | -171.4 | 136.5 | 120 | -101.9 | 171.9 | 32 | 0 | 0 | 115.2 | |||||
| 698 | N | 25.3 | Very low | 27.1 | Very low | 127 Ų | 127 | 130 Ų | 130 | 68% | 0.679 | 75% | 0.745 | S | S | * | * | trans | -6.9 | 136.7 | 156 | -56.4 | -25.9 | 0 | 0 | 0 | 119.3 | ||||
| 699 | H | 24.3 | Very low | 28.2 | Very low | 172 Ų | 172 | 129.7 Ų | 129.7 | 80% | 0.796 | 74% | 0.735 | S | S | * | * | -172.6 | 138.7 | 97.8 | -104.5 | -76.8 | 0 | 0 | 0 | 114.6 | |||||
| 700 | T | 25.1 | Very low | 29.3 | Very low | 112 Ų | 112 | 132.9 Ų | 132.9 | 69% | 0.687 | 74% | 0.739 | S | S | * | * | trans | -10.7 | 129.5 | 154.7 | 47.3 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 701 | K | 25.3 | Very low | 30.4 | Very low | 197 Ų | 197 | 132 Ų | 132 | 86% | 0.857 | 74% | 0.735 | S | S | * | * | 177.5 | 152.3 | 119.7 | -98.4 | 164.5 | -174.9 | 176.8 | 0 | 116.3 | |||||
| 702 | S | 26.6 | Very low | 31.9 | Very low | 103 Ų | 103 | 129.9 Ų | 129.9 | 72% | 0.72 | 72% | 0.723 | S | S | * | * | trans | 62.2 | 126.7 | 148.1 | 56.4 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 703 | H | 36.4 | Very low | 33.5 | Very low | 189 Ų | 189 | 127.2 Ų | 127.2 | 88% | 0.875 | 71% | 0.709 | S | S | * | * | trans | -50.6 | 133.6 | 150 | -71.2 | -96.5 | 0 | 0 | 0 | 112.4 | ||||
| 704 | T | 34.6 | Very low | 35.3 | Very low | 118 Ų | 118 | 129.5 Ų | 129.5 | 72% | 0.724 | 71% | 0.708 | S | S | * | * | trans | 179 | 104.1 | 146.9 | 16.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 705 | S | 34 | Very low | 37.4 | Very low | 85 Ų | 85 | 128 Ų | 128 | 59% | 0.594 | 69% | 0.692 | S | S | * | * | trans | -148.6 | -26.3 | 174.1 | 55.7 | 0 | 0 | 0 | 0 | 116 | Q707 K708 | S705-Q707 PolarHBondContact O-N 3Å; S705-Q707 VanDerWaalsContact O-N 3.08Å; S705-K708 WeakPolarHBondContact O-CB 3.47Å; S705-K708 PolarHBondContact O-N 3.29Å | ||
| 706 | A | 35.3 | Very low | 39.8 | Very low | 90 Ų | 90 | 129.3 Ų | 129.3 | 74% | 0.744 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -12.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 707 | Q | 35.4 | Very low | 42.6 | Very low | 162 Ų | 162 | 128 Ų | 128 | 76% | 0.757 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | -6.2 | 170.6 | -75.9 | -178.4 | -20.1 | 0 | 0 | 113.4 | S705 | S705-Q707 PolarHBondContact O-N 3Å; S705-Q707 VanDerWaalsContact O-N 3.08Å |
| 708 | K | 37.3 | Very low | 45.2 | Very low | 133 Ų | 133 | 122 Ų | 122 | 58% | 0.578 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -77.8 | -53 | -179.4 | -121.4 | 177.6 | 176.9 | -175.6 | 0 | 110.7 | S705 Q710 K711 D712 | S705-K708 WeakPolarHBondContact O-CB 3.47Å; S705-K708 PolarHBondContact O-N 3.29Å; K708-Q710 VanDerWaalsContact C-N 3.32Å; K708-Q710 PolarHBondContact O-N 3.47Å; K708-Q710 VanDerWaalsContact O-N 3.15Å; K708-K711 CarbonylContact O-C 3.55Å; K708-K711 WeakPolarHBondContact O-CA 3.46Å; K708-K711 WeakPolarHBondContact O-CB 3.16Å; K708-K711 PolarHBondContact O-N 3.3Å; K708-D712 WeakPolarHBondContact O-CB 3.4Å; K708-D712 VanDerWaalsContact O-CG 3.29Å; K708-D712 PolarHBondContact O-N 3.35Å |
| 709 | D | 43.9 | Very low | 47.9 | Very low | 108 Ų | 108 | 121.3 Ų | 121.3 | 58% | 0.578 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -58.5 | -35.4 | -174.3 | -53.8 | -28.8 | 0 | 0 | 0 | 114.5 | N713 | D709-N713 WeakPolarHBondContact O-CB 3.31Å; D709-N713 PolarHBondContact O-N 2.9Å |
| 710 | Q | 44.1 | Very low | 50.7 | Low | 167 Ų | 167 | 113.4 Ų | 113.4 | 78% | 0.78 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -74.3 | -27.5 | 174.4 | -78.5 | -170.2 | -3 | 0 | 0 | 113.5 | K708 | K708-Q710 VanDerWaalsContact C-N 3.32Å; K708-Q710 PolarHBondContact O-N 3.47Å; K708-Q710 VanDerWaalsContact O-N 3.15Å |
| 711 | K | 45.9 | Very low | 53.6 | Low | 163 Ų | 163 | 110.3 Ų | 110.3 | 71% | 0.709 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -79.8 | -40.6 | 176.1 | -144.3 | 175.8 | -174.7 | -175.2 | 0 | 110.1 | K708 K714 S715 | K708-K711 CarbonylContact O-C 3.55Å; K708-K711 WeakPolarHBondContact O-CA 3.46Å; K708-K711 WeakPolarHBondContact O-CB 3.16Å; K708-K711 PolarHBondContact O-N 3.3Å; K711-K714 PolarHBondContact O-N 2.94Å; K711-S715 WeakPolarHBondContact O-CB 3.49Å; K711-S715 PolarHBondContact O-N 3.35Å |
| 712 | D | 53.9 | Low | 56.4 | Low | 76 Ų | 76 | 105.3 Ų | 105.3 | 41% | 0.406 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.6 | -39.2 | 177.9 | -65.1 | -17.7 | 0 | 0 | 0 | 111.5 | K708 S715 R716 | K708-D712 WeakPolarHBondContact O-CB 3.4Å; K708-D712 VanDerWaalsContact O-CG 3.29Å; K708-D712 PolarHBondContact O-N 3.35Å; D712-S715 WeakPolarHBondContact O-CB 3.31Å; D712-S715 PolarHBondContact O-N 3.06Å; D712-R716 WeakPolarHBondContact O-CB 3.25Å; D712-R716 PolarHBondContact O-N 3.46Å |
| 713 | N | 57.2 | Low | 59.1 | Low | 87 Ų | 87 | 104.7 Ų | 104.7 | 47% | 0.465 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.8 | -37.8 | 173.3 | -84 | -3 | 0 | 0 | 0 | 113.5 | D709 Y717 | D709-N713 WeakPolarHBondContact O-CB 3.31Å; D709-N713 PolarHBondContact O-N 2.9Å; N713-Y717 PolarHBondContact O-N 2.84Å |
| 714 | K | 60.7 | Low | 61.3 | Low | 173 Ų | 173 | 95.7 Ų | 95.7 | 75% | 0.752 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -70.1 | -35 | 172.7 | -107.4 | -173.5 | 174.3 | -172.6 | 0 | 112 | K711 A718 | K711-K714 PolarHBondContact O-N 2.94Å; K714-A718 PolarHBondContact O-N 3.16Å |
| 715 | S | 67.8 | Low | 63.7 | Low | 63 Ų | 63 | 93.1 Ų | 93.1 | 44% | 0.441 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.2 | -46.5 | 174.5 | -159.5 | 0 | 0 | 0 | 0 | 111.2 | K711 D712 Y717 A718 E719 | K711-S715 WeakPolarHBondContact O-CB 3.49Å; K711-S715 PolarHBondContact O-N 3.35Å; D712-S715 WeakPolarHBondContact O-CB 3.31Å; D712-S715 PolarHBondContact O-N 3.06Å; S715-Y717 PolarHBondContact O-N 3.12Å; S715-A718 CarbonylContact O-C 3.6Å; S715-A718 PolarHBondContact O-N 3.27Å; S715-E719 PolarHBondContact O-N 2.94Å |
| 716 | R | 74.6 | Confident | 66.1 | Low | 109 Ų | 109 | 92.9 Ų | 92.9 | 41% | 0.411 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -57.7 | -46.1 | 177.1 | -113.1 | 174.5 | 157.8 | 78.4 | 2.9 | 113.1 | D712 A718 E719 I720 D746 | D712-R716 WeakPolarHBondContact O-CB 3.25Å; D712-R716 PolarHBondContact O-N 3.46Å; R716-A718 VanDerWaalsContact C-N 3.33Å; R716-A718 PolarHBondContact O-N 3.15Å; R716-E719 PolarHBondContact O-N 3.44Å; R716-I720 WeakPolarHBondContact O-CG1 3.33Å; R716-I720 PolarHBondContact O-N 3Å; R716-D746 WeakPolarHBondContact CD-OD1 3.47Å; R716-D746 IonicContact CZ-OD2 3.35Å; R716-D746 VanDerWaalsContact NE-CG 3.33Å; R716-D746 IonicContact NE-OD1 3.15Å; R716-D746 PolarHBondContact NE-OD1 3.45Å; R716-D746 VanDerWaalsContact NE-OD1 3.15Å; R716-D746 IonicContact NE-OD2 2.85Å; R716-D746 PolarHBondContact NE-OD2 3.09Å; R716-D746 IonicContact NH2-OD2 2.95Å; R716-D746 PolarHBondContact NH2-OD2 3.06Å |
| 717 | Y | 81.6 | Confident | 68.4 | Low | 73 Ų | 73 | 88.8 Ų | 88.8 | 29% | 0.286 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.6 | -44 | 176.5 | 179.3 | -88.4 | 0 | 0 | 0 | 111 | N713 S715 K721 L749 I753 E756 | N713-Y717 PolarHBondContact O-N 2.84Å; S715-Y717 PolarHBondContact O-N 3.12Å; Y717-K721 HydrophobicContact CE1-CD 3.89Å; Y717-K721 WeakPolarHBondContact O-CB 3.42Å; Y717-K721 PolarHBondContact O-N 2.66Å; Y717-L749 HydrophobicContact CD2-CD1 4.2Å; Y717-L749 HydrophobicContact CD2-CD2 3.92Å; Y717-L749 HydrophobicContact CD2-CG 4.5Å; Y717-L749 HydrophobicContact CE2-CD2 4.43Å; Y717-I753 HydrophobicContact CD2-CD1 3.83Å; Y717-I753 HydrophobicContact CD2-CG1 4.26Å; Y717-I753 HydrophobicContact CE2-CD1 3.72Å; Y717-I753 HydrophobicContact CE2-CG1 3.62Å; Y717-I753 HydrophobicContact CG-CD1 4.45Å; Y717-E756 PolarHBondContact OH-OE1 3.16Å; Y717-E756 PolarHBondContact OH-OE2 3.01Å; Y717-E756 VanDerWaalsContact OH-OE2 3.12Å |
| 718 | A | 80.1 | Confident | 70.4 | Confident | 56 Ų | 56 | 84.7 Ų | 84.7 | 46% | 0.463 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -66.2 | -37.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | K714 S715 R716 L722 | K714-A718 PolarHBondContact O-N 3.16Å; S715-A718 CarbonylContact O-C 3.6Å; S715-A718 PolarHBondContact O-N 3.27Å; R716-A718 VanDerWaalsContact C-N 3.33Å; R716-A718 PolarHBondContact O-N 3.15Å; A718-L722 VanDerWaalsContact O-CB 3.24Å; A718-L722 WeakPolarHBondContact O-CB 3.5Å; A718-L722 PolarHBondContact O-N 2.97Å |
| 719 | E | 81.3 | Confident | 72.4 | Confident | 111 Ų | 111 | 85 Ų | 85 | 52% | 0.519 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.2 | -49.2 | 175.5 | -104.6 | 175.8 | 158.7 | 0 | 0 | 112.3 | S715 R716 K721 L722 Q723 | S715-E719 PolarHBondContact O-N 2.94Å; R716-E719 PolarHBondContact O-N 3.44Å; E719-K721 VanDerWaalsContact C-N 3.34Å; E719-L722 PolarHBondContact O-N 2.87Å; E719-Q723 WeakPolarHBondContact O-CG 3.24Å; E719-Q723 PolarHBondContact O-N 3.16Å |
| 720 | I | 82.8 | Confident | 73.9 | Confident | 7 Ų | 7 | 84 Ų | 84 | 4% | 0.036 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -63.9 | -43 | 178.1 | -66 | 169.2 | 0 | 0 | 0 | 109.8 | R716 Q723 V724 F738 F742 D746 I750 I753 | R716-I720 WeakPolarHBondContact O-CG1 3.33Å; R716-I720 PolarHBondContact O-N 3Å; I720-Q723 PolarHBondContact O-N 3.22Å; I720-V724 WeakPolarHBondContact O-CG2 3.27Å; I720-V724 PolarHBondContact O-N 2.92Å; I720-F738 HydrophobicContact CG2-CE1 4.43Å; I720-F738 HydrophobicContact CG2-CZ 4.48Å; I720-F742 HydrophobicContact CD1-CE1 4.19Å; I720-F742 HydrophobicContact CG1-CE1 4.43Å; I720-D746 HydrophobicContact CD1-CB 4.43Å; I720-I750 HydrophobicContact CG2-CG1 3.68Å; I720-I753 HydrophobicContact CB-CD1 4.14Å; I720-I753 HydrophobicContact CG2-CD1 3.76Å |
| 721 | K | 86.2 | Confident | 75.1 | Confident | 46 Ų | 46 | 81.4 Ų | 81.4 | 20% | 0.2 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -62.7 | -43.3 | 176.9 | -170 | 155.3 | -171.6 | 154.4 | 0 | 112 | Y717 E719 Q723 V724 E725 I753 E756 | Y717-K721 HydrophobicContact CE1-CD 3.89Å; Y717-K721 WeakPolarHBondContact O-CB 3.42Å; Y717-K721 PolarHBondContact O-N 2.66Å; E719-K721 VanDerWaalsContact C-N 3.34Å; K721-Q723 VanDerWaalsContact C-N 3.33Å; K721-Q723 PolarHBondContact O-N 3.2Å; K721-V724 PolarHBondContact O-N 2.85Å; K721-E725 WeakPolarHBondContact CE-OE1 3.21Å; K721-E725 HydrophobicContact CG-CG 4.38Å; K721-E725 WeakPolarHBondContact CG-OE1 3.41Å; K721-E725 WeakPolarHBondContact O-CB 3.4Å; K721-E725 WeakPolarHBondContact O-CG 3.26Å; K721-E725 PolarHBondContact O-N 2.88Å; K721-I753 HydrophobicContact CB-CD1 4.1Å; K721-I753 HydrophobicContact CB-CG2 4.24Å; K721-I753 HydrophobicContact CG-CG2 4.14Å; K721-E756 IonicContact NZ-OE2 3.45Å; K721-E756 PolarHBondContact NZ-OE2 3.22Å |
| 722 | L | 85.8 | Confident | 76.1 | Confident | 92 Ų | 92 | 80.8 Ų | 80.8 | 48% | 0.482 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.1 | -35.5 | 175.5 | -169.5 | 71.1 | 0 | 0 | 0 | 112.5 | A718 E719 N726 | A718-L722 VanDerWaalsContact O-CB 3.24Å; A718-L722 WeakPolarHBondContact O-CB 3.5Å; A718-L722 PolarHBondContact O-N 2.97Å; E719-L722 PolarHBondContact O-N 2.87Å; L722-N726 VanDerWaalsContact O-CB 3.26Å; L722-N726 WeakPolarHBondContact O-CB 3.31Å; L722-N726 PolarHBondContact O-N 2.97Å; L722-N726 PolarHBondContact O-ND2 3.47Å |
| 723 | Q | 83.1 | Confident | 76.9 | Confident | 90 Ų | 90 | 81.1 Ų | 81.1 | 42% | 0.421 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65.4 | -43 | 174.5 | -73.7 | 173.7 | 12.1 | 0 | 0 | 112 | E719 I720 K721 F727 | E719-Q723 WeakPolarHBondContact O-CG 3.24Å; E719-Q723 PolarHBondContact O-N 3.16Å; I720-Q723 PolarHBondContact O-N 3.22Å; K721-Q723 VanDerWaalsContact C-N 3.33Å; K721-Q723 PolarHBondContact O-N 3.2Å; Q723-F727 PolarHBondContact O-N 3.28Å |
| 724 | V | 82.8 | Confident | 77.6 | Confident | 0 Ų | 0 | 85.3 Ų | 85.3 | 0% | 0 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -68.9 | -41.8 | 176 | 179.5 | 0 | 0 | 0 | 0 | 111.4 | I720 K721 N726 F727 M728 L736 F738 I753 T754 L757 L759 | I720-V724 WeakPolarHBondContact O-CG2 3.27Å; I720-V724 PolarHBondContact O-N 2.92Å; K721-V724 PolarHBondContact O-N 2.85Å; V724-N726 PolarHBondContact O-N 3.08Å; V724-F727 WeakPolarHBondContact O-CB 3.39Å; V724-F727 PolarHBondContact O-N 3.31Å; V724-M728 WeakPolarHBondContact O-CG 3.46Å; V724-M728 PolarHBondContact O-N 2.87Å; V724-L736 HydrophobicContact CG2-CD2 4.38Å; V724-F738 HydrophobicContact CG2-CE2 4.38Å; V724-F738 HydrophobicContact CG2-CZ 4.03Å; V724-I753 HydrophobicContact CB-CG2 4.2Å; V724-I753 HydrophobicContact CG1-CG2 4.4Å; V724-I753 HydrophobicContact CG2-CG2 4.21Å; V724-T754 HydrophobicContact CG1-CG2 4Å; V724-T754 HydrophobicContact CG2-CG2 4.15Å; V724-L757 HydrophobicContact CB-CD1 4.37Å; V724-L757 HydrophobicContact CG1-CD1 3.71Å; V724-L759 HydrophobicContact CG1-CD1 3.51Å |
| 725 | E | 83.9 | Confident | 78.5 | Confident | 65 Ų | 65 | 81.5 Ų | 81.5 | 30% | 0.304 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65.5 | -35 | 175.8 | -74.4 | 177.7 | -167.4 | 0 | 0 | 112.9 | K721 M728 K729 L757 | K721-E725 WeakPolarHBondContact CE-OE1 3.21Å; K721-E725 HydrophobicContact CG-CG 4.38Å; K721-E725 WeakPolarHBondContact CG-OE1 3.41Å; K721-E725 WeakPolarHBondContact O-CB 3.4Å; K721-E725 WeakPolarHBondContact O-CG 3.26Å; K721-E725 PolarHBondContact O-N 2.88Å; E725-M728 PolarHBondContact O-N 3.37Å; E725-K729 WeakPolarHBondContact O-CG 3.49Å; E725-K729 PolarHBondContact O-N 3.22Å; E725-K729 VanDerWaalsContact O-N 3.17Å; E725-L757 HydrophobicContact CG-CD1 4.31Å |
| 726 | N | 83.6 | Confident | 79.3 | Confident | 79 Ų | 79 | 79.7 Ų | 79.7 | 42% | 0.422 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -69.5 | -38.4 | 173.5 | -74.7 | -15.3 | 0 | 0 | 0 | 111.4 | L722 V724 M728 K729 D730 | L722-N726 VanDerWaalsContact O-CB 3.26Å; L722-N726 WeakPolarHBondContact O-CB 3.31Å; L722-N726 PolarHBondContact O-N 2.97Å; L722-N726 PolarHBondContact O-ND2 3.47Å; V724-N726 PolarHBondContact O-N 3.08Å; N726-M728 VanDerWaalsContact C-N 3.27Å; N726-M728 PolarHBondContact O-N 3.07Å; N726-K729 PolarHBondContact O-N 2.92Å; N726-D730 PolarHBondContact O-N 3.33Å |
| 727 | F | 83.8 | Confident | 79.8 | Confident | 4 Ų | 4 | 80.7 Ų | 80.7 | 2% | 0.018 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -61.1 | -32.5 | 170.7 | 167.4 | -102.7 | 0 | 0 | 0 | 112.8 | Q723 V724 M733 L736 L759 V774 R776 | Q723-F727 PolarHBondContact O-N 3.28Å; V724-F727 WeakPolarHBondContact O-CB 3.39Å; V724-F727 PolarHBondContact O-N 3.31Å; F727-M733 HydrophobicContact CD2-CB 4.05Å; F727-M733 HydrophobicContact CD2-CG 3.99Å; F727-M733 HydrophobicContact CD2-SD 4.09Å; F727-M733 HydrophobicContact CE2-CB 4.25Å; F727-M733 HydrophobicContact CE2-CG 4.21Å; F727-M733 WeakPolarHBondContact CE2-O 3.43Å; F727-L736 HydrophobicContact CB-CB 4.29Å; F727-L736 HydrophobicContact CB-CD2 3.93Å; F727-L736 HydrophobicContact CD1-CB 4.33Å; F727-L736 HydrophobicContact CD2-CB 3.71Å; F727-L736 HydrophobicContact CE2-CB 4.05Å; F727-L736 HydrophobicContact CG-CB 3.85Å; F727-L736 HydrophobicContact CG-CD2 4.31Å; F727-L759 HydrophobicContact CD1-CD1 4.33Å; F727-L759 HydrophobicContact CE1-CD1 4.44Å; F727-V774 HydrophobicContact CE1-CG1 4.32Å; F727-R776 HydrophobicContact CE1-CG 4.01Å; F727-R776 HydrophobicContact CZ-CG 4.09Å; F727-R776 PolarHBondContact O-NH2 3.48Å |
| 728 | M | 78.8 | Confident | 80 | Confident | 76 Ų | 76 | 77.5 Ų | 77.5 | 37% | 0.374 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -69.8 | -31.6 | 171.5 | -67.1 | 178 | 77.3 | 0 | 0 | 113 | V724 E725 N726 L757 L759 R776 | V724-M728 WeakPolarHBondContact O-CG 3.46Å; V724-M728 PolarHBondContact O-N 2.87Å; E725-M728 PolarHBondContact O-N 3.37Å; N726-M728 VanDerWaalsContact C-N 3.27Å; N726-M728 PolarHBondContact O-N 3.07Å; M728-L757 HydrophobicContact SD-CB 4.09Å; M728-L757 HydrophobicContact SD-CD1 4.08Å; M728-L757 HydrophobicContact SD-CD2 4.36Å; M728-L757 HydrophobicContact SD-CG 4.41Å; M728-L759 HydrophobicContact CG-CD1 3.9Å; M728-L759 HydrophobicContact CG-CD2 4.43Å; M728-L759 HydrophobicContact SD-CD1 4.11Å; M728-R776 VanDerWaalsContact C-NH2 3.28Å; M728-R776 PolarHBondContact O-NH2 3.19Å |
| 729 | K | 78.5 | Confident | 79.9 | Confident | 141 Ų | 141 | 78.1 Ų | 78.1 | 61% | 0.613 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -78.7 | -33.4 | 178.9 | -69.8 | 165.5 | -171.1 | 161.6 | 0 | 113.1 | E725 N726 V731 | E725-K729 WeakPolarHBondContact O-CG 3.49Å; E725-K729 PolarHBondContact O-N 3.22Å; E725-K729 VanDerWaalsContact O-N 3.17Å; N726-K729 PolarHBondContact O-N 2.92Å; K729-V731 PolarHBondContact O-N 3.48Å |
| 730 | D | 76.4 | Confident | 79.5 | Confident | 85 Ų | 85 | 75.2 Ų | 75.2 | 46% | 0.455 | 38% | 0.383 | S | S | . | . | trans | -86.5 | 98.3 | -179.7 | -162.5 | -20.3 | 0 | 0 | 0 | 111.7 | N726 N732 M733 R776 | N726-D730 PolarHBondContact O-N 3.33Å; D730-N732 PolarHBondContact O-N 3.36Å; D730-N732 PolarHBondContact OD1-N 2.74Å; D730-M733 HydrophobicContact CB-CB 4.49Å; D730-M733 PolarHBondContact O-N 3.39Å; D730-R776 PolarHBondContact O-NH2 3.28Å | ||
| 731 | V | 68.9 | Low | 79.1 | Confident | 114 Ų | 114 | 79.7 Ų | 79.7 | 69% | 0.691 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -20.6 | -173.7 | -174.6 | 0 | 0 | 0 | 0 | 112.8 | K729 | K729-V731 PolarHBondContact O-N 3.48Š|
| 732 | N | 66 | Low | 78.7 | Confident | 149 Ų | 149 | 79.7 Ų | 79.7 | 80% | 0.797 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -14.3 | -179.3 | -70.5 | -33.3 | 0 | 0 | 0 | 113.4 | D730 | D730-N732 PolarHBondContact O-N 3.36Å; D730-N732 PolarHBondContact OD1-N 2.74Å |
| 733 | M | 72.1 | Confident | 78.1 | Confident | 83 Ų | 83 | 78.9 Ų | 78.9 | 41% | 0.409 | 41% | 0.411 | S | S | . | . | trans | -91.3 | 108.7 | -177.3 | -156.3 | 174.5 | -170.3 | 0 | 0 | 110.4 | F727 D730 L736 | F727-M733 HydrophobicContact CD2-CB 4.05Å; F727-M733 HydrophobicContact CD2-CG 3.99Å; F727-M733 HydrophobicContact CD2-SD 4.09Å; F727-M733 HydrophobicContact CE2-CB 4.25Å; F727-M733 HydrophobicContact CE2-CG 4.21Å; F727-M733 WeakPolarHBondContact CE2-O 3.43Å; D730-M733 HydrophobicContact CB-CB 4.49Å; D730-M733 PolarHBondContact O-N 3.39Å; M733-L736 HydrophobicContact CE-CD1 4.13Å | ||
| 734 | K | 71.8 | Confident | 77.6 | Confident | 176 Ų | 176 | 79.7 Ų | 79.7 | 77% | 0.765 | 43% | 0.427 | S | S | * | . | trans | -77.7 | -37.3 | -175.8 | -67.6 | -170.2 | 176.8 | -173.3 | 0 | 114.3 | ||||
| 735 | N | 79.1 | Confident | 77.3 | Confident | 93 Ų | 93 | 84 Ų | 84 | 50% | 0.497 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 139.9 | -178.1 | -63.8 | -41.7 | 0 | 0 | 0 | 110.5 | T773 V774 S775 | N735-T773 HydrophobicContact CB-CG2 3.97Å; N735-V774 CarbonylContact C-O 3.48Å; N735-V774 WeakPolarHBondContact CA-O 3.26Å; N735-S775 VanDerWaalsContact OD1-CB 3.24Å; N735-S775 WeakPolarHBondContact OD1-CB 3.49Å |
| 736 | L | 85.2 | Confident | 77.1 | Confident | 25 Ų | 25 | 81 Ų | 81 | 13% | 0.131 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 130.6 | 169.6 | -179.6 | 67.3 | 0 | 0 | 0 | 109.4 | V724 F727 M733 F738 T773 V774 | V724-L736 HydrophobicContact CG2-CD2 4.38Å; F727-L736 HydrophobicContact CB-CB 4.29Å; F727-L736 HydrophobicContact CB-CD2 3.93Å; F727-L736 HydrophobicContact CD1-CB 4.33Å; F727-L736 HydrophobicContact CD2-CB 3.71Å; F727-L736 HydrophobicContact CE2-CB 4.05Å; F727-L736 HydrophobicContact CG-CB 3.85Å; F727-L736 HydrophobicContact CG-CD2 4.31Å; M733-L736 HydrophobicContact CE-CD1 4.13Å; L736-F738 HydrophobicContact CD2-CE2 3.65Å; L736-F738 HydrophobicContact CD2-CZ 3.62Å; L736-F738 HydrophobicContact CG-CE2 3.96Å; L736-F738 HydrophobicContact CG-CZ 4.24Å; L736-T773 CarbonylContact O-C 3.57Å; L736-T773 WeakPolarHBondContact O-CA 3.48Å; L736-V774 HydrophobicContact CB-CB 4.4Å; L736-V774 PolarHBondContact N-O 3.46Å; L736-V774 PolarHBondContact O-N 3.06Å |
| 737 | Q | 83.4 | Confident | 77.1 | Confident | 130 Ų | 130 | 79.5 Ų | 79.5 | 61% | 0.607 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 126.3 | -176.1 | -168.2 | -178 | 16.7 | 0 | 0 | 111.6 | C771 I772 | Q737-C771 HydrophobicContact CG-CB 4.22Å; Q737-C771 PolarHBondContact NE2-SG 3.24Å; Q737-I772 WeakPolarHBondContact CA-O 3.36Å |
| 738 | F | 86 | Confident | 76.9 | Confident | 6 Ų | 6 | 83.7 Ų | 83.7 | 3% | 0.026 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 131.8 | 175.3 | -66.8 | -89.1 | 0 | 0 | 0 | 111 | I720 V724 L736 F742 I750 C771 I772 V774 | I720-F738 HydrophobicContact CG2-CE1 4.43Å; I720-F738 HydrophobicContact CG2-CZ 4.48Å; V724-F738 HydrophobicContact CG2-CE2 4.38Å; V724-F738 HydrophobicContact CG2-CZ 4.03Å; L736-F738 HydrophobicContact CD2-CE2 3.65Å; L736-F738 HydrophobicContact CD2-CZ 3.62Å; L736-F738 HydrophobicContact CG-CE2 3.96Å; L736-F738 HydrophobicContact CG-CZ 4.24Å; F738-F742 AromaticContact CD1-CE1 3.9Å; F738-F742 HydrophobicContact CD1-CE1 3.9Å; F738-F742 HydrophobicContact CD1-CZ 4.04Å; F738-I750 HydrophobicContact CB-CD1 3.78Å; F738-I750 HydrophobicContact CD1-CD1 3.65Å; F738-I750 HydrophobicContact CD1-CG1 4.27Å; F738-I750 HydrophobicContact CD2-CD1 3.98Å; F738-I750 HydrophobicContact CD2-CG1 4.36Å; F738-I750 HydrophobicContact CD2-CG2 3.96Å; F738-I750 HydrophobicContact CE1-CD1 4.2Å; F738-I750 HydrophobicContact CE1-CG1 4.32Å; F738-I750 HydrophobicContact CE2-CD1 4.49Å; F738-I750 HydrophobicContact CE2-CG1 4.42Å; F738-I750 HydrophobicContact CE2-CG2 3.98Å; F738-I750 HydrophobicContact CG-CD1 3.52Å; F738-I750 HydrophobicContact CG-CG1 4.28Å; F738-I750 HydrophobicContact CZ-CG1 4.4Å; F738-C771 WeakPolarHBondContact O-CB 3.5Å; F738-I772 HydrophobicContact CB-CB 4.45Å; F738-I772 PolarHBondContact N-O 3.08Å; F738-I772 PolarHBondContact O-N 2.99Å; F738-V774 HydrophobicContact CD2-CG2 4.19Å; F738-V774 HydrophobicContact CE2-CG2 3.87Å |
| 739 | P | 77.8 | Confident | 77.1 | Confident | 68 Ų | 68 | 80.8 Ų | 80.8 | 44% | 0.442 | 43% | 0.429 | S | S | . | . | trans | -73.4 | 158.6 | -171.5 | 29.1 | -34.9 | 0 | 0 | 0 | 113.3 | S741 F742 | P739-S741 PolarHBondContact O-N 3.34Å; P739-S741 VanDerWaalsContact O-N 3.13Å; P739-F742 HydrophobicContact CG-CD2 3.8Å; P739-F742 HydrophobicContact CG-CE2 3.68Å; P739-F742 PolarHBondContact O-N 3.17Å | ||
| 740 | S | 74.3 | Confident | 77.3 | Confident | 50 Ų | 50 | 74.1 Ų | 74.1 | 35% | 0.35 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -13.9 | -175.4 | 64.8 | 0 | 0 | 0 | 0 | 114.9 | F742 R747 G768 R770 | S740-F742 PolarHBondContact O-N 2.82Å; S740-R747 PolarHBondContact O-NH2 3.39Å; S740-G768 WeakPolarHBondContact CB-O 3.42Å; S740-G768 PolarHBondContact OG-O 2.63Å; S740-R770 WeakPolarHBondContact CA-O 3.37Å; S740-R770 VanDerWaalsContact CB-O 3.23Å; S740-R770 WeakPolarHBondContact CB-O 3.27Å |
| 741 | S | 72.9 | Confident | 77.6 | Confident | 102 Ų | 102 | 72.1 Ų | 72.1 | 71% | 0.713 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -10.6 | 175 | 53.7 | 0 | 0 | 0 | 0 | 114.6 | P739 | P739-S741 PolarHBondContact O-N 3.34Å; P739-S741 VanDerWaalsContact O-N 3.13Å |
| 742 | F | 77.9 | Confident | 78.3 | Confident | 46 Ų | 46 | 70.8 Ų | 70.8 | 20% | 0.202 | 38% | 0.375 | C | S | . | . | trans | -68.9 | 131.1 | 176.8 | -84.1 | -129.9 | 0 | 0 | 0 | 110.9 | I720 F738 P739 S740 D746 R747 I750 | I720-F742 HydrophobicContact CD1-CE1 4.19Å; I720-F742 HydrophobicContact CG1-CE1 4.43Å; F738-F742 AromaticContact CD1-CE1 3.9Å; F738-F742 HydrophobicContact CD1-CE1 3.9Å; F738-F742 HydrophobicContact CD1-CZ 4.04Å; P739-F742 HydrophobicContact CG-CD2 3.8Å; P739-F742 HydrophobicContact CG-CE2 3.68Å; P739-F742 PolarHBondContact O-N 3.17Å; S740-F742 PolarHBondContact O-N 2.82Å; F742-D746 HydrophobicContact CB-CB 4.26Å; F742-D746 HydrophobicContact CD1-CB 3.64Å; F742-D746 HydrophobicContact CE1-CB 4.39Å; F742-D746 HydrophobicContact CG-CB 4.29Å; F742-R747 HydrophobicContact CB-CG 4.16Å; F742-R747 PolarHBondContact O-NE 2.92Å; F742-I750 HydrophobicContact CD1-CD1 3.64Å; F742-I750 HydrophobicContact CE1-CD1 3.95Å | ||
| 743 | N | 74.6 | Confident | 79.2 | Confident | 75 Ų | 75 | 63.7 Ų | 63.7 | 40% | 0.401 | 34% | 0.337 | S | S | . | . | trans | -73.2 | 169.4 | 179.9 | 71.7 | 57.7 | 0 | 0 | 0 | 111.6 | H745 D746 R747 | N743-H745 PolarHBondContact O-N 3.48Å; N743-H745 VanDerWaalsContact O-N 3.17Å; N743-H745 WeakPolarHBondContact OD1-CA 3.48Å; N743-H745 WeakPolarHBondContact OD1-CB 3.32Å; N743-H745 PolarHBondContact OD1-N 2.98Å; N743-D746 VanDerWaalsContact ND2-CG 3.27Å; N743-D746 PolarHBondContact ND2-OD1 3.15Å; N743-D746 PolarHBondContact ND2-OD2 3.49Å; N743-D746 PolarHBondContact O-N 2.72Å; N743-D746 PolarHBondContact OD1-N 2.87Å; N743-R747 WeakPolarHBondContact O-CG 3.3Å; N743-R747 PolarHBondContact O-N 2.97Å | ||
| 744 | S | 72 | Confident | 79.7 | Confident | 107 Ų | 107 | 59.8 Ų | 59.8 | 75% | 0.748 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -58.8 | -29.5 | -176.1 | -44.2 | 0 | 0 | 0 | 0 | 114.6 | L748 | S744-L748 PolarHBondContact O-N 2.91Å |
| 745 | H | 76.4 | Confident | 80.2 | Confident | 89 Ų | 89 | 58.3 Ų | 58.3 | 41% | 0.412 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -78.4 | -45.4 | 177.5 | 177 | -85.7 | 0 | 0 | 0 | 111.2 | N743 R747 L748 L749 | N743-H745 PolarHBondContact O-N 3.48Å; N743-H745 VanDerWaalsContact O-N 3.17Å; N743-H745 WeakPolarHBondContact OD1-CA 3.48Å; N743-H745 WeakPolarHBondContact OD1-CB 3.32Å; N743-H745 PolarHBondContact OD1-N 2.98Å; H745-R747 PolarHBondContact O-N 2.97Å; H745-L748 WeakPolarHBondContact O-CB 3.46Å; H745-L748 PolarHBondContact O-N 2.96Å; H745-L748 VanDerWaalsContact O-N 3.11Å; H745-L749 WeakPolarHBondContact O-CG 3.32Å; H745-L749 PolarHBondContact O-N 3.11Å |
| 746 | D | 80.4 | Confident | 80.4 | Confident | 3 Ų | 3 | 59.3 Ų | 59.3 | 2% | 0.016 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.6 | -35.7 | 176.5 | -61.8 | -10.1 | 0 | 0 | 0 | 110.9 | R716 I720 F742 N743 L749 I750 | R716-D746 WeakPolarHBondContact CD-OD1 3.47Å; R716-D746 IonicContact CZ-OD2 3.35Å; R716-D746 VanDerWaalsContact NE-CG 3.33Å; R716-D746 IonicContact NE-OD1 3.15Å; R716-D746 PolarHBondContact NE-OD1 3.45Å; R716-D746 VanDerWaalsContact NE-OD1 3.15Å; R716-D746 IonicContact NE-OD2 2.85Å; R716-D746 PolarHBondContact NE-OD2 3.09Å; R716-D746 IonicContact NH2-OD2 2.95Å; R716-D746 PolarHBondContact NH2-OD2 3.06Å; I720-D746 HydrophobicContact CD1-CB 4.43Å; F742-D746 HydrophobicContact CB-CB 4.26Å; F742-D746 HydrophobicContact CD1-CB 3.64Å; F742-D746 HydrophobicContact CE1-CB 4.39Å; F742-D746 HydrophobicContact CG-CB 4.29Å; N743-D746 VanDerWaalsContact ND2-CG 3.27Å; N743-D746 PolarHBondContact ND2-OD1 3.15Å; N743-D746 PolarHBondContact ND2-OD2 3.49Å; N743-D746 PolarHBondContact O-N 2.72Å; N743-D746 PolarHBondContact OD1-N 2.87Å; D746-L749 PolarHBondContact O-N 3.45Å; D746-I750 WeakPolarHBondContact O-CG1 3.4Å; D746-I750 PolarHBondContact O-N 2.78Å; D746-I750 VanDerWaalsContact O-N 3.13Å |
| 747 | R | 82 | Confident | 80.2 | Confident | 47 Ų | 47 | 60.4 Ų | 60.4 | 18% | 0.177 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.1 | -43.1 | 172.2 | -70.2 | 173.7 | -178.2 | -102.1 | 5.9 | 112.9 | S740 F742 N743 H745 L749 I750 H751 R770 I772 | S740-R747 PolarHBondContact O-NH2 3.39Å; F742-R747 HydrophobicContact CB-CG 4.16Å; F742-R747 PolarHBondContact O-NE 2.92Å; N743-R747 WeakPolarHBondContact O-CG 3.3Å; N743-R747 PolarHBondContact O-N 2.97Å; H745-R747 PolarHBondContact O-N 2.97Å; R747-L749 VanDerWaalsContact C-N 3.33Å; R747-I750 PolarHBondContact O-N 2.88Å; R747-H751 PolarHBondContact O-CD2 2.9Å; R747-H751 PolarHBondContact O-N 3.47Å; R747-R770 PolarHBondContact NH1-O 3.37Å; R747-R770 PolarHBondContact NH2-O 3.29Å; R747-I772 HydrophobicContact CB-CD1 3.86Å; R747-I772 HydrophobicContact CG-CD1 3.84Å |
| 748 | L | 80.3 | Confident | 80 | Confident | 93 Ų | 93 | 56.8 Ų | 56.8 | 49% | 0.487 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.4 | -42.3 | 175.7 | -175.3 | 72.8 | 0 | 0 | 0 | 111.2 | S744 H745 I750 H751 Q752 | S744-L748 PolarHBondContact O-N 2.91Å; H745-L748 WeakPolarHBondContact O-CB 3.46Å; H745-L748 PolarHBondContact O-N 2.96Å; H745-L748 VanDerWaalsContact O-N 3.11Å; L748-I750 PolarHBondContact O-N 2.96Å; L748-H751 PolarHBondContact O-N 3.03Å; L748-Q752 WeakPolarHBondContact O-CG 3.31Å; L748-Q752 PolarHBondContact O-N 3.08Å |
| 749 | L | 83.3 | Confident | 79.8 | Confident | 15 Ų | 15 | 57.4 Ų | 57.4 | 8% | 0.079 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.1 | -39.9 | 177.4 | -68.2 | -173.4 | 0 | 0 | 0 | 112.6 | Y717 H745 D746 R747 H751 Q752 I753 | Y717-L749 HydrophobicContact CD2-CD1 4.2Å; Y717-L749 HydrophobicContact CD2-CD2 3.92Å; Y717-L749 HydrophobicContact CD2-CG 4.5Å; Y717-L749 HydrophobicContact CE2-CD2 4.43Å; H745-L749 WeakPolarHBondContact O-CG 3.32Å; H745-L749 PolarHBondContact O-N 3.11Å; D746-L749 PolarHBondContact O-N 3.45Å; R747-L749 VanDerWaalsContact C-N 3.33Å; L749-H751 PolarHBondContact O-N 2.97Å; L749-Q752 PolarHBondContact O-N 2.95Å; L749-I753 HydrophobicContact CB-CD1 4.44Å; L749-I753 WeakPolarHBondContact O-CB 3.48Å; L749-I753 WeakPolarHBondContact O-CD1 3.43Å; L749-I753 WeakPolarHBondContact O-CG1 3.39Å; L749-I753 PolarHBondContact O-N 3.38Å |
| 750 | I | 83.6 | Confident | 80.1 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60 | -46.9 | 176 | -67.9 | 159 | 0 | 0 | 0 | 110.4 | I720 F738 F742 D746 R747 L748 I753 T754 I772 V774 | I720-I750 HydrophobicContact CG2-CG1 3.68Å; F738-I750 HydrophobicContact CB-CD1 3.78Å; F738-I750 HydrophobicContact CD1-CD1 3.65Å; F738-I750 HydrophobicContact CD1-CG1 4.27Å; F738-I750 HydrophobicContact CD2-CD1 3.98Å; F738-I750 HydrophobicContact CD2-CG1 4.36Å; F738-I750 HydrophobicContact CD2-CG2 3.96Å; F738-I750 HydrophobicContact CE1-CD1 4.2Å; F738-I750 HydrophobicContact CE1-CG1 4.32Å; F738-I750 HydrophobicContact CE2-CD1 4.49Å; F738-I750 HydrophobicContact CE2-CG1 4.42Å; F738-I750 HydrophobicContact CE2-CG2 3.98Å; F738-I750 HydrophobicContact CG-CD1 3.52Å; F738-I750 HydrophobicContact CG-CG1 4.28Å; F738-I750 HydrophobicContact CZ-CG1 4.4Å; F742-I750 HydrophobicContact CD1-CD1 3.64Å; F742-I750 HydrophobicContact CE1-CD1 3.95Å; D746-I750 WeakPolarHBondContact O-CG1 3.4Å; D746-I750 PolarHBondContact O-N 2.78Å; D746-I750 VanDerWaalsContact O-N 3.13Å; R747-I750 PolarHBondContact O-N 2.88Å; L748-I750 PolarHBondContact O-N 2.96Å; I750-I753 PolarHBondContact O-N 2.91Å; I750-T754 WeakPolarHBondContact O-CB 3.33Å; I750-T754 WeakPolarHBondContact O-CG2 3.21Å; I750-T754 PolarHBondContact O-N 3.25Å; I750-T754 PolarHBondContact O-OG1 3.22Å; I750-I772 HydrophobicContact CB-CD1 4.44Å; I750-I772 HydrophobicContact CD1-CD1 4.33Å; I750-I772 HydrophobicContact CG2-CD1 4.46Å; I750-I772 HydrophobicContact CG2-CG2 3.87Å; I750-V774 HydrophobicContact CG2-CG2 4.19Å |
| 751 | H | 82.7 | Confident | 80.7 | Confident | 44 Ų | 44 | 58.5 Ų | 58.5 | 20% | 0.204 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.5 | -50.5 | 176.8 | -74.3 | -62.8 | 0 | 0 | 0 | 111.7 | R747 L748 L749 I753 T754 E755 H761 | R747-H751 PolarHBondContact O-CD2 2.9Å; R747-H751 PolarHBondContact O-N 3.47Å; L748-H751 PolarHBondContact O-N 3.03Å; L749-H751 PolarHBondContact O-N 2.97Å; H751-I753 PolarHBondContact O-N 3.29Å; H751-T754 PolarHBondContact O-N 3.14Å; H751-T754 PolarHBondContact O-OG1 3.21Å; H751-T754 VanDerWaalsContact O-OG1 3.12Å; H751-E755 WeakPolarHBondContact O-CB 3.49Å; H751-E755 PolarHBondContact O-N 3Å; H751-H761 AromaticContact CE1-CE1 3.97Å; H751-H761 AromaticContact CE1-CG 3.95Å; H751-H761 AromaticContact CE1-ND1 3.56Å; H751-H761 AromaticContact ND1-CD2 3.5Å; H751-H761 AromaticContact ND1-CE1 3.22Å; H751-H761 PolarHBondContact ND1-CE1 2.86Å; H751-H761 AromaticContact ND1-CG 3.27Å; H751-H761 VanDerWaalsContact ND1-CG 3.27Å; H751-H761 AromaticContact ND1-ND1 3.08Å; H751-H761 PolarHBondContact ND1-ND1 3.33Å; H751-H761 AromaticContact ND1-NE2 3.42Å; H751-H761 PolarHBondContact ND1-NE2 2.98Å |
| 752 | Q | 83.4 | Confident | 81.1 | Confident | 86 Ų | 86 | 58 Ų | 58 | 40% | 0.402 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60 | -44.6 | 178.5 | -71.4 | -179.1 | -36.6 | 0 | 0 | 113.2 | L748 L749 T754 E756 | L748-Q752 WeakPolarHBondContact O-CG 3.31Å; L748-Q752 PolarHBondContact O-N 3.08Å; L749-Q752 PolarHBondContact O-N 2.95Å; Q752-T754 VanDerWaalsContact C-N 3.33Å; Q752-T754 PolarHBondContact O-N 3.19Å; Q752-E756 VanDerWaalsContact O-CB 3.32Å; Q752-E756 WeakPolarHBondContact O-CB 3.42Å; Q752-E756 VanDerWaalsContact O-CG 3.31Å; Q752-E756 WeakPolarHBondContact O-CG 3.26Å; Q752-E756 PolarHBondContact O-N 3.16Å |
| 753 | I | 84.7 | Confident | 81.2 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.2 | -34.7 | -179.8 | -70.3 | 164 | 0 | 0 | 0 | 111.5 | Y717 I720 K721 V724 L749 I750 H751 L757 | Y717-I753 HydrophobicContact CD2-CD1 3.83Å; Y717-I753 HydrophobicContact CD2-CG1 4.26Å; Y717-I753 HydrophobicContact CE2-CD1 3.72Å; Y717-I753 HydrophobicContact CE2-CG1 3.62Å; Y717-I753 HydrophobicContact CG-CD1 4.45Å; I720-I753 HydrophobicContact CB-CD1 4.14Å; I720-I753 HydrophobicContact CG2-CD1 3.76Å; K721-I753 HydrophobicContact CB-CD1 4.1Å; K721-I753 HydrophobicContact CB-CG2 4.24Å; K721-I753 HydrophobicContact CG-CG2 4.14Å; V724-I753 HydrophobicContact CB-CG2 4.2Å; V724-I753 HydrophobicContact CG1-CG2 4.4Å; V724-I753 HydrophobicContact CG2-CG2 4.21Å; L749-I753 HydrophobicContact CB-CD1 4.44Å; L749-I753 WeakPolarHBondContact O-CB 3.48Å; L749-I753 WeakPolarHBondContact O-CD1 3.43Å; L749-I753 WeakPolarHBondContact O-CG1 3.39Å; L749-I753 PolarHBondContact O-N 3.38Å; I750-I753 PolarHBondContact O-N 2.91Å; H751-I753 PolarHBondContact O-N 3.29Å; I753-L757 HydrophobicContact CG2-CD1 3.95Å; I753-L757 WeakPolarHBondContact O-CB 3.19Å; I753-L757 WeakPolarHBondContact O-CD1 3.46Å; I753-L757 VanDerWaalsContact O-CG 3.24Å; I753-L757 WeakPolarHBondContact O-CG 3.27Å; I753-L757 PolarHBondContact O-N 3.47Å |
| 754 | T | 82.1 | Confident | 81.1 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -79.1 | -34.6 | -179.4 | 45.2 | 0 | 0 | 0 | 0 | 112.3 | V724 I750 H751 Q752 L757 G758 L759 H761 V774 | V724-T754 HydrophobicContact CG1-CG2 4Å; V724-T754 HydrophobicContact CG2-CG2 4.15Å; I750-T754 WeakPolarHBondContact O-CB 3.33Å; I750-T754 WeakPolarHBondContact O-CG2 3.21Å; I750-T754 PolarHBondContact O-N 3.25Å; I750-T754 PolarHBondContact O-OG1 3.22Å; H751-T754 PolarHBondContact O-N 3.14Å; H751-T754 PolarHBondContact O-OG1 3.21Å; H751-T754 VanDerWaalsContact O-OG1 3.12Å; Q752-T754 VanDerWaalsContact C-N 3.33Å; Q752-T754 PolarHBondContact O-N 3.19Å; T754-L757 CarbonylContact O-C 3.59Å; T754-L757 PolarHBondContact O-N 3.14Å; T754-G758 PolarHBondContact O-N 3.07Å; T754-G758 VanDerWaalsContact O-N 3.13Å; T754-L759 PolarHBondContact O-N 3.1Å; T754-H761 PolarHBondContact OG1-CD2 3.22Å; T754-V774 HydrophobicContact CG2-CB 4.25Å; T754-V774 HydrophobicContact CG2-CG1 3.47Å; T754-V774 VanDerWaalsContact CG2-CG1 3.47Å; T754-V774 HydrophobicContact CG2-CG2 3.7Å |
| 755 | E | 83.2 | Confident | 80.9 | Confident | 146 Ų | 146 | 58.2 Ų | 58.2 | 68% | 0.682 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -65.1 | -45.3 | 168.6 | -169.3 | 173.3 | -154.2 | 0 | 0 | 111.5 | H751 L757 G758 | H751-E755 WeakPolarHBondContact O-CB 3.49Å; H751-E755 PolarHBondContact O-N 3Å; E755-L757 PolarHBondContact O-N 2.68Å; E755-G758 PolarHBondContact O-N 2.98Å |
| 756 | E | 83.1 | Confident | 79.6 | Confident | 114 Ų | 114 | 62.8 Ų | 62.8 | 53% | 0.533 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -55.6 | -30.4 | 172.4 | -84.4 | 178.8 | -160.4 | 0 | 0 | 113.5 | Y717 K721 Q752 | Y717-E756 PolarHBondContact OH-OE1 3.16Å; Y717-E756 PolarHBondContact OH-OE2 3.01Å; Y717-E756 VanDerWaalsContact OH-OE2 3.12Å; K721-E756 IonicContact NZ-OE2 3.45Å; K721-E756 PolarHBondContact NZ-OE2 3.22Å; Q752-E756 VanDerWaalsContact O-CB 3.32Å; Q752-E756 WeakPolarHBondContact O-CB 3.42Å; Q752-E756 VanDerWaalsContact O-CG 3.31Å; Q752-E756 WeakPolarHBondContact O-CG 3.26Å; Q752-E756 PolarHBondContact O-N 3.16Å |
| 757 | L | 80.1 | Confident | 78.8 | Confident | 48 Ų | 48 | 65.9 Ų | 65.9 | 25% | 0.251 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 5.6 | -176 | -67.1 | 173.9 | 0 | 0 | 0 | 113.6 | V724 E725 M728 I753 T754 E755 L759 | V724-L757 HydrophobicContact CB-CD1 4.37Å; V724-L757 HydrophobicContact CG1-CD1 3.71Å; E725-L757 HydrophobicContact CG-CD1 4.31Å; M728-L757 HydrophobicContact SD-CB 4.09Å; M728-L757 HydrophobicContact SD-CD1 4.08Å; M728-L757 HydrophobicContact SD-CD2 4.36Å; M728-L757 HydrophobicContact SD-CG 4.41Å; I753-L757 HydrophobicContact CG2-CD1 3.95Å; I753-L757 WeakPolarHBondContact O-CB 3.19Å; I753-L757 WeakPolarHBondContact O-CD1 3.46Å; I753-L757 VanDerWaalsContact O-CG 3.24Å; I753-L757 WeakPolarHBondContact O-CG 3.27Å; I753-L757 PolarHBondContact O-N 3.47Å; T754-L757 CarbonylContact O-C 3.59Å; T754-L757 PolarHBondContact O-N 3.14Å; E755-L757 PolarHBondContact O-N 2.68Å; L757-L759 VanDerWaalsContact C-N 3.33Å; L757-L759 HydrophobicContact CB-CD1 4.48Å; L757-L759 HydrophobicContact CB-CG 4.47Å; L757-L759 PolarHBondContact O-N 3.39Å |
| 758 | G | 78.8 | Confident | 77.5 | Confident | 54 Ų | 54 | 67.1 Ų | 67.1 | 56% | 0.557 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.3 | 28.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | T754 E755 | T754-G758 PolarHBondContact O-N 3.07Å; T754-G758 VanDerWaalsContact O-N 3.13Å; E755-G758 PolarHBondContact O-N 2.98Å |
| 759 | L | 82.9 | Confident | 76.5 | Confident | 18 Ų | 18 | 65.1 Ų | 65.1 | 9% | 0.094 | 39% | 0.39 | C | S | . | . | trans | -101.1 | 150.1 | 178.9 | -63.5 | 175.1 | 0 | 0 | 0 | 111.4 | V724 F727 M728 T754 L757 V774 R776 | V724-L759 HydrophobicContact CG1-CD1 3.51Å; F727-L759 HydrophobicContact CD1-CD1 4.33Å; F727-L759 HydrophobicContact CE1-CD1 4.44Å; M728-L759 HydrophobicContact CG-CD1 3.9Å; M728-L759 HydrophobicContact CG-CD2 4.43Å; M728-L759 HydrophobicContact SD-CD1 4.11Å; T754-L759 PolarHBondContact O-N 3.1Å; L757-L759 VanDerWaalsContact C-N 3.33Å; L757-L759 HydrophobicContact CB-CD1 4.48Å; L757-L759 HydrophobicContact CB-CG 4.47Å; L757-L759 PolarHBondContact O-N 3.39Å; L759-V774 HydrophobicContact CB-CG1 3.98Å; L759-V774 HydrophobicContact CD1-CG1 4Å; L759-R776 HydrophobicContact CD2-CG 4.24Å | ||
| 760 | V | 83.8 | Confident | 76 | Confident | 75 Ų | 75 | 70 Ų | 70 | 46% | 0.455 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 132.7 | 177.9 | -178.4 | 0 | 0 | 0 | 0 | 109.2 | V774 S775 P777 | V760-V774 WeakPolarHBondContact O-CA 3.43Å; V760-S775 PolarHBondContact N-O 3Å; V760-S775 PolarHBondContact O-N 2.99Å; V760-P777 HydrophobicContact CG2-CB 4.27Å |
| 761 | H | 85.9 | Confident | 75.9 | Confident | 66 Ų | 66 | 70.8 Ų | 70.8 | 31% | 0.306 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 135.2 | 179.4 | 64.5 | 49.2 | 0 | 0 | 0 | 111.9 | H751 T754 T773 | H751-H761 AromaticContact CE1-CE1 3.97Å; H751-H761 AromaticContact CE1-CG 3.95Å; H751-H761 AromaticContact CE1-ND1 3.56Å; H751-H761 AromaticContact ND1-CD2 3.5Å; H751-H761 AromaticContact ND1-CE1 3.22Å; H751-H761 PolarHBondContact ND1-CE1 2.86Å; H751-H761 AromaticContact ND1-CG 3.27Å; H751-H761 VanDerWaalsContact ND1-CG 3.27Å; H751-H761 AromaticContact ND1-ND1 3.08Å; H751-H761 PolarHBondContact ND1-ND1 3.33Å; H751-H761 AromaticContact ND1-NE2 3.42Å; H751-H761 PolarHBondContact ND1-NE2 2.98Å; T754-H761 PolarHBondContact OG1-CD2 3.22Å; H761-T773 WeakPolarHBondContact CA-O 3.38Å |
| 762 | E | 81.4 | Confident | 76 | Confident | 92 Ų | 92 | 68.8 Ų | 68.8 | 43% | 0.43 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 132.7 | 179 | -160.7 | -171.9 | 167.8 | 0 | 0 | 111.4 | R764 I772 T773 | E762-R764 VanDerWaalsContact CD-NE 3.3Å; E762-R764 HydrophobicContact CG-CG 4.18Å; E762-R764 IonicContact OE1-NE 2.75Å; E762-R764 PolarHBondContact OE1-NE 3.47Å; E762-R764 IonicContact OE1-NH2 2.83Å; E762-R764 IonicContact OE2-CZ 3.22Å; E762-R764 IonicContact OE2-NE 3.57Å; E762-R764 PolarHBondContact OE2-NE 3.49Å; E762-R764 IonicContact OE2-NH2 2.74Å; E762-R764 PolarHBondContact OE2-NH2 2.96Å; E762-I772 WeakPolarHBondContact O-CA 3.32Å; E762-T773 PolarHBondContact N-O 3.41Å; E762-T773 PolarHBondContact O-N 3.3Å |
| 763 | S | 81.1 | Confident | 76.1 | Confident | 37 Ų | 37 | 65.9 Ų | 65.9 | 26% | 0.259 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 108.5 | 169.6 | -89.4 | 0 | 0 | 0 | 0 | 109.7 | R770 C771 | S763-R770 VanDerWaalsContact CB-NH2 3.33Å; S763-R770 PolarHBondContact OG-NE 2.99Å; S763-R770 PolarHBondContact OG-NH2 2.81Å; S763-C771 WeakPolarHBondContact CA-O 3.32Å |
| 764 | R | 71.8 | Confident | 76.1 | Confident | 142 Ų | 142 | 65.9 Ų | 65.9 | 54% | 0.536 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 139.3 | 178.3 | -68.5 | -169.5 | 178.6 | -164.8 | -1.9 | 112.6 | E762 R770 C771 | E762-R764 VanDerWaalsContact CD-NE 3.3Å; E762-R764 HydrophobicContact CG-CG 4.18Å; E762-R764 IonicContact OE1-NE 2.75Å; E762-R764 PolarHBondContact OE1-NE 3.47Å; E762-R764 IonicContact OE1-NH2 2.83Å; E762-R764 IonicContact OE2-CZ 3.22Å; E762-R764 IonicContact OE2-NE 3.57Å; E762-R764 PolarHBondContact OE2-NE 3.49Å; E762-R764 IonicContact OE2-NH2 2.74Å; E762-R764 PolarHBondContact OE2-NH2 2.96Å; R764-R770 WeakPolarHBondContact O-CA 3.3Å; R764-C771 PolarHBondContact N-O 3.49Å; R764-C771 PolarHBondContact O-N 2.83Å; R764-C771 PolarHBondContact O-SG 3.17Å; R764-C771 VanDerWaalsContact O-SG 3.36Å |
| 765 | G | 67.3 | Low | 76.3 | Confident | 53 Ų | 53 | 67.5 Ų | 67.5 | 55% | 0.546 | 40% | 0.402 | S | S | . | . | S | Bend | trans | 93.8 | 157 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115 | R770 | G765-R770 WeakPolarHBondContact O-CB 3.47Å; G765-R770 WeakPolarHBondContact O-CG 3.47Å |
| 766 | E | 50.5 | Low | 76.2 | Confident | 186 Ų | 186 | 64.5 Ų | 64.5 | 87% | 0.869 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -101.7 | 153.8 | -178.7 | -63.3 | -171.2 | 159.7 | 0 | 0 | 112.7 | G768 G769 | E766-G768 PolarHBondContact O-N 2.63Å; E766-G769 PolarHBondContact O-N 3.23Å |
| 767 | G | 63.4 | Low | 75.6 | Confident | 68 Ų | 68 | 62.9 Ų | 62.9 | 70% | 0.701 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | 55.4 | -135.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | G769 R770 | G767-G769 PolarHBondContact O-N 2.99Å; G767-R770 WeakPolarHBondContact O-CB 3.4Å; G767-R770 PolarHBondContact O-N 3.13Å |
| 768 | G | 54.4 | Low | 74.7 | Confident | 73 Ų | 73 | 67.1 Ų | 67.1 | 75% | 0.753 | 41% | 0.412 | S | S | * | . | G | 310 helix | trans | -66.7 | -11.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | S740 E766 | S740-G768 WeakPolarHBondContact CB-O 3.42Å; S740-G768 PolarHBondContact OG-O 2.63Å; E766-G768 PolarHBondContact O-N 2.63Å |
| 769 | G | 59.4 | Low | 72.9 | Confident | 51 Ų | 51 | 68.9 Ų | 68.9 | 53% | 0.526 | 42% | 0.421 | S | S | . | . | G | 310 helix | trans | -87.4 | -6.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | E766 G767 C771 | E766-G769 PolarHBondContact O-N 3.23Å; G767-G769 PolarHBondContact O-N 2.99Å; G769-C771 PolarHBondContact O-N 2.85Å; G769-C771 VanDerWaalsContact O-N 3.11Å |
| 770 | R | 72.8 | Confident | 70.6 | Confident | 116 Ų | 116 | 73.6 Ų | 73.6 | 44% | 0.438 | 46% | 0.455 | S | S | . | . | trans | -65.5 | 110.2 | -171.6 | -175.3 | 178.3 | 168.1 | 170.6 | 0.7 | 112.9 | S740 R747 S763 R764 G765 G767 | S740-R770 WeakPolarHBondContact CA-O 3.37Å; S740-R770 VanDerWaalsContact CB-O 3.23Å; S740-R770 WeakPolarHBondContact CB-O 3.27Å; R747-R770 PolarHBondContact NH1-O 3.37Å; R747-R770 PolarHBondContact NH2-O 3.29Å; S763-R770 VanDerWaalsContact CB-NH2 3.33Å; S763-R770 PolarHBondContact OG-NE 2.99Å; S763-R770 PolarHBondContact OG-NH2 2.81Å; R764-R770 WeakPolarHBondContact O-CA 3.3Å; G765-R770 WeakPolarHBondContact O-CB 3.47Å; G765-R770 WeakPolarHBondContact O-CG 3.47Å; G767-R770 WeakPolarHBondContact O-CB 3.4Å; G767-R770 PolarHBondContact O-N 3.13Å | ||
| 771 | C | 81.6 | Confident | 68 | Low | 17 Ų | 17 | 78 Ų | 78 | 12% | 0.115 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 165.7 | 176.1 | 62.7 | 0 | 0 | 0 | 0 | 111.3 | Q737 F738 S763 R764 G769 | Q737-C771 HydrophobicContact CG-CB 4.22Å; Q737-C771 PolarHBondContact NE2-SG 3.24Å; F738-C771 WeakPolarHBondContact O-CB 3.5Å; S763-C771 WeakPolarHBondContact CA-O 3.32Å; R764-C771 PolarHBondContact N-O 3.49Å; R764-C771 PolarHBondContact O-N 2.83Å; R764-C771 PolarHBondContact O-SG 3.17Å; R764-C771 VanDerWaalsContact O-SG 3.36Å; G769-C771 PolarHBondContact O-N 2.85Å; G769-C771 VanDerWaalsContact O-N 3.11Å |
| 772 | I | 84.1 | Confident | 65.5 | Low | 3 Ų | 3 | 81 Ų | 81 | 2% | 0.015 | 50% | 0.496 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 126.6 | 170.3 | -60.6 | 172.7 | 0 | 0 | 0 | 107.9 | Q737 F738 R747 I750 E762 V774 | Q737-I772 WeakPolarHBondContact CA-O 3.36Å; F738-I772 HydrophobicContact CB-CB 4.45Å; F738-I772 PolarHBondContact N-O 3.08Å; F738-I772 PolarHBondContact O-N 2.99Å; R747-I772 HydrophobicContact CB-CD1 3.86Å; R747-I772 HydrophobicContact CG-CD1 3.84Å; I750-I772 HydrophobicContact CB-CD1 4.44Å; I750-I772 HydrophobicContact CD1-CD1 4.33Å; I750-I772 HydrophobicContact CG2-CD1 4.46Å; I750-I772 HydrophobicContact CG2-CG2 3.87Å; E762-I772 WeakPolarHBondContact O-CA 3.32Å; I772-V774 HydrophobicContact CG2-CG2 4.49Å |
| 773 | T | 85.1 | Confident | 63 | Low | 25 Ų | 25 | 83.4 Ų | 83.4 | 15% | 0.153 | 52% | 0.517 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 134.3 | 174 | -55 | 0 | 0 | 0 | 0 | 109.1 | N735 L736 H761 E762 | N735-T773 HydrophobicContact CB-CG2 3.97Å; L736-T773 CarbonylContact O-C 3.57Å; L736-T773 WeakPolarHBondContact O-CA 3.48Å; H761-T773 WeakPolarHBondContact CA-O 3.38Å; E762-T773 PolarHBondContact N-O 3.41Å; E762-T773 PolarHBondContact O-N 3.3Å |
| 774 | V | 86.3 | Confident | 60.5 | Low | 0 Ų | 0 | 90.2 Ų | 90.2 | 0% | 0 | 55% | 0.545 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 130.2 | 176.7 | -176.3 | 0 | 0 | 0 | 0 | 107.9 | F727 N735 L736 F738 I750 T754 L759 V760 I772 | F727-V774 HydrophobicContact CE1-CG1 4.32Å; N735-V774 CarbonylContact C-O 3.48Å; N735-V774 WeakPolarHBondContact CA-O 3.26Å; L736-V774 HydrophobicContact CB-CB 4.4Å; L736-V774 PolarHBondContact N-O 3.46Å; L736-V774 PolarHBondContact O-N 3.06Å; F738-V774 HydrophobicContact CD2-CG2 4.19Å; F738-V774 HydrophobicContact CE2-CG2 3.87Å; I750-V774 HydrophobicContact CG2-CG2 4.19Å; T754-V774 HydrophobicContact CG2-CB 4.25Å; T754-V774 HydrophobicContact CG2-CG1 3.47Å; T754-V774 VanDerWaalsContact CG2-CG1 3.47Å; T754-V774 HydrophobicContact CG2-CG2 3.7Å; L759-V774 HydrophobicContact CB-CG1 3.98Å; L759-V774 HydrophobicContact CD1-CG1 4Å; V760-V774 WeakPolarHBondContact O-CA 3.43Å; I772-V774 HydrophobicContact CG2-CG2 4.49Å |
| 775 | S | 84.6 | Confident | 58.4 | Low | 33 Ų | 33 | 92.2 Ų | 92.2 | 23% | 0.231 | 56% | 0.56 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -133.2 | 158.7 | -179.7 | 61.2 | 0 | 0 | 0 | 0 | 111 | N735 V760 | N735-S775 VanDerWaalsContact OD1-CB 3.24Å; N735-S775 WeakPolarHBondContact OD1-CB 3.49Å; V760-S775 PolarHBondContact N-O 3Å; V760-S775 PolarHBondContact O-N 2.99Å |
| 776 | R | 81.2 | Confident | 56.7 | Low | 83 Ų | 83 | 95.5 Ų | 95.5 | 31% | 0.313 | 57% | 0.572 | S | S | . | * | P | Polyproline II helix | trans | -79.6 | 141.6 | 173 | -57.9 | -178.3 | -173.7 | -153 | 0.8 | 109.2 | F727 M728 D730 L759 V778 | F727-R776 HydrophobicContact CE1-CG 4.01Å; F727-R776 HydrophobicContact CZ-CG 4.09Å; F727-R776 PolarHBondContact O-NH2 3.48Å; M728-R776 VanDerWaalsContact C-NH2 3.28Å; M728-R776 PolarHBondContact O-NH2 3.19Å; D730-R776 PolarHBondContact O-NH2 3.28Å; L759-R776 HydrophobicContact CD2-CG 4.24Å; R776-V778 PolarHBondContact O-N 3.42Å |
| 777 | P | 71.8 | Confident | 55.4 | Low | 80 Ų | 80 | 93.3 Ų | 93.3 | 52% | 0.519 | 57% | 0.571 | S | S | . | * | P | Polyproline II helix | trans | -60.5 | 129 | 171 | 25.7 | -33 | 0 | 0 | 0 | 109.6 | V760 | V760-P777 HydrophobicContact CG2-CB 4.27Š|
| 778 | V | 60 | Low | 53.7 | Low | 138 Ų | 138 | 99.1 Ų | 99.1 | 84% | 0.836 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 127.6 | 176.5 | -178.9 | 0 | 0 | 0 | 0 | 107.9 | R776 S780 | R776-V778 PolarHBondContact O-N 3.42Å; V778-S780 PolarHBondContact O-N 3.26Å |
| 779 | A | 41.7 | Very low | 52.4 | Low | 91 Ų | 91 | 105 Ų | 105 | 75% | 0.752 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 125.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | E781 | A779-E781 PolarHBondContact O-N 3.24Š|
| 780 | S | 34.4 | Very low | 50.8 | Low | 116 Ų | 116 | 111.4 Ų | 111.4 | 81% | 0.811 | 60% | 0.604 | S | S | * | * | trans | -73.9 | 112.7 | 179.6 | 51.1 | 0 | 0 | 0 | 0 | 111 | V778 | V778-S780 PolarHBondContact O-N 3.26Š| ||
| 781 | E | 29.9 | Very low | 48.4 | Very low | 169 Ų | 169 | 111.8 Ų | 111.8 | 79% | 0.79 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -67 | 150.2 | 155.6 | -71.9 | -178.2 | 158.2 | 0 | 0 | 109.4 | A779 V783 | A779-E781 PolarHBondContact O-N 3.24Å; E781-V783 PolarHBondContact O-N 2.95Å |
| 782 | P | 32.9 | Very low | 45.6 | Very low | 127 Ų | 127 | 118 Ų | 118 | 83% | 0.825 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 125.9 | -179.9 | 29.5 | -33.3 | 0 | 0 | 0 | 109.9 | ||
| 783 | V | 29.1 | Very low | 42.8 | Very low | 143 Ų | 143 | 125 Ų | 125 | 87% | 0.867 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -97.9 | 129.9 | 175.1 | 177.3 | 0 | 0 | 0 | 0 | 109.3 | E781 | E781-V783 PolarHBondContact O-N 2.95Š|
| 784 | E | 28.6 | Very low | 40 | Very low | 181 Ų | 181 | 131.7 Ų | 131.7 | 85% | 0.846 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 159.4 | -177.7 | -62.2 | 160.5 | 139 | 0 | 0 | 112.5 | ||
| 785 | E | 28 | Very low | 37.1 | Very low | 184 Ų | 184 | 139.8 Ų | 139.8 | 86% | 0.86 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 148.2 | 175.8 | -64.6 | -175.7 | 148 | 0 | 0 | 111.8 | T787 | E785-T787 PolarHBondContact O-N 2.84Š|
| 786 | P | 31 | Very low | 34.1 | Very low | 121 Ų | 121 | 144.1 Ų | 144.1 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 120.4 | -179.3 | 30.1 | -33.4 | 0 | 0 | 0 | 111.7 | Q788 | P786-Q788 PolarHBondContact O-N 3.04Š|
| 787 | T | 23.7 | Very low | 32 | Very low | 140 Ų | 140 | 144.7 Ų | 144.7 | 86% | 0.859 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 126.7 | 166.4 | 43.4 | 0 | 0 | 0 | 0 | 111.6 | E785 | E785-T787 PolarHBondContact O-N 2.84Š|
| 788 | Q | 28 | Very low | 29.8 | Very low | 190 Ų | 190 | 149 Ų | 149 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 143.3 | 161.1 | -67.5 | -176.9 | -8.7 | 0 | 0 | 109.4 | P786 | P786-Q788 PolarHBondContact O-N 3.04Š|
| 789 | E | 26.6 | Very low | 28.2 | Very low | 198 Ų | 198 | 150 Ų | 150 | 93% | 0.925 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 156.1 | 177.1 | -69.4 | 179.8 | 148.9 | 0 | 0 | 111.9 | ||
| 790 | E | 25.1 | Very low | 27.5 | Very low | 184 Ų | 184 | 154.1 Ų | 154.1 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 147.8 | -164 | -54.5 | 167.8 | 147.7 | 0 | 0 | 114.2 | ||
| 791 | T | 23.1 | Very low | 26.8 | Very low | 124 Ų | 124 | 154.9 Ų | 154.9 | 76% | 0.761 | 80% | 0.799 | S | S | * | * | trans | -164 | 110 | 130.8 | 3.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 792 | Q | 23.2 | Very low | 27 | Very low | 149 Ų | 149 | 151.6 Ų | 151.6 | 70% | 0.696 | 79% | 0.792 | S | S | * | * | trans | 57.3 | 124.5 | 138 | -68.7 | 178.7 | -70.6 | 0 | 0 | 123.6 | ||||
| 793 | E | 25.1 | Very low | 26.6 | Very low | 148 Ų | 148 | 154.3 Ų | 154.3 | 69% | 0.692 | 79% | 0.794 | S | S | * | * | 94.5 | 117.8 | 129.1 | -73.7 | 160.8 | -155.9 | 0 | 0 | 122.9 | |||||
| 794 | E | 25.8 | Very low | 26.4 | Very low | 167 Ų | 167 | 157 Ų | 157 | 78% | 0.78 | 80% | 0.797 | S | S | * | * | trans | 78.4 | 107.3 | 139.1 | -63.2 | -176.3 | 169.1 | 0 | 0 | 124.3 | ||||
| 795 | E | 26.2 | Very low | 26.3 | Very low | 169 Ų | 169 | 157 Ų | 157 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | 58.1 | 106.1 | 124.1 | -60 | -166 | 168.4 | 0 | 0 | 123.9 | |||||
| 796 | T | 20.3 | Very low | 26.2 | Very low | 125 Ų | 125 | 154.5 Ų | 154.5 | 77% | 0.767 | 80% | 0.797 | S | S | * | * | 35.2 | 162.8 | 119.9 | 42.3 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 797 | P | 38.3 | Very low | 25.9 | Very low | 94 Ų | 94 | 152.9 Ų | 152.9 | 61% | 0.61 | 79% | 0.794 | S | S | * | * | cis | -139.8 | -166.8 | -16.9 | 35.8 | -13.6 | 0 | 0 | 0 | 115.7 | ||||
| 798 | E | 25 | Very low | 26.3 | Very low | 170 Ų | 170 | 152 Ų | 152 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | trans | 73 | 147.1 | 156.6 | -76.3 | 147.3 | -148.9 | 0 | 0 | 118.1 | ||||
| 799 | E | 26.3 | Very low | 26.1 | Very low | 161 Ų | 161 | 147.9 Ų | 147.9 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | cis | -156.8 | 147.7 | 32.1 | -142.7 | 166.1 | -144.7 | 0 | 0 | 113.7 | ||||
| 800 | E | 26 | Very low | 26.1 | Very low | 177 Ų | 177 | 146.6 Ų | 146.6 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | trans | 58.1 | 147.6 | 148 | -72.4 | 179.9 | -179.5 | 0 | 0 | 128 | ||||
| 801 | T | 20.6 | Very low | 26.1 | Very low | 131 Ų | 131 | 147.3 Ų | 147.3 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -108.8 | -167 | -178.4 | 51.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 802 | P | 35.2 | Very low | 26.3 | Very low | 100 Ų | 100 | 146.8 Ų | 146.8 | 65% | 0.649 | 79% | 0.792 | S | S | * | * | cis | -144.6 | 169.4 | 7.6 | 43.8 | -22.7 | 0 | 0 | 0 | 120.3 | ||||
| 803 | E | 23.9 | Very low | 26.4 | Very low | 184 Ų | 184 | 148.2 Ų | 148.2 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | 43.2 | 129.1 | 137.2 | -63.5 | 170.1 | -177.6 | 0 | 0 | 124.1 | ||||
| 804 | E | 25.6 | Very low | 26.7 | Very low | 199 Ų | 199 | 146.9 Ų | 146.9 | 93% | 0.93 | 80% | 0.803 | S | S | * | * | -161.5 | 161.2 | 107.2 | -109.8 | -177.3 | -178.8 | 0 | 0 | 112.1 | |||||
| 805 | E | 25 | Very low | 27 | Very low | 182 Ų | 182 | 144.5 Ų | 144.5 | 85% | 0.85 | 80% | 0.802 | S | S | * | * | trans | -80.2 | 170.2 | -162.4 | -43.1 | -176.6 | 130.1 | 0 | 0 | 115.9 | ||||
| 806 | P | 26.4 | Very low | 27.2 | Very low | 131 Ų | 131 | 142.1 Ų | 142.1 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | -148.1 | 159.8 | 82 | 38.4 | -20.2 | 0 | 0 | 0 | 117.4 | |||||
| 807 | A | 24.6 | Very low | 27.9 | Very low | 87 Ų | 87 | 141.9 Ų | 141.9 | 72% | 0.719 | 81% | 0.805 | S | S | * | * | trans | -126.2 | 172.3 | 162.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 808 | P | 31.3 | Very low | 27.5 | Very low | 121 Ų | 121 | 146.1 Ų | 146.1 | 79% | 0.786 | 82% | 0.816 | S | S | * | * | cis | -124.9 | 159.3 | -4.2 | 39.3 | -25 | 0 | 0 | 0 | 114.4 | ||||
| 809 | A | 25 | Very low | 28 | Very low | 105 Ų | 105 | 143.3 Ų | 143.3 | 87% | 0.868 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -84 | 127 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 810 | L | 26 | Very low | 28.4 | Very low | 170 Ų | 170 | 141.5 Ų | 141.5 | 89% | 0.89 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -90 | 140.7 | 165.9 | -93.5 | 159.3 | 0 | 0 | 0 | 110.5 | ||
| 811 | Q | 25.6 | Very low | 29.2 | Very low | 199 Ų | 199 | 137.4 Ų | 137.4 | 93% | 0.93 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 134.1 | -175.5 | -64.4 | 166.6 | -12.9 | 0 | 0 | 111.7 | ||
| 812 | S | 26.4 | Very low | 30.4 | Very low | 113 Ų | 113 | 135.4 Ų | 135.4 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | -135.4 | 131.1 | 162.6 | 62.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 813 | E | 26.9 | Very low | 30.7 | Very low | 180 Ų | 180 | 137.3 Ų | 137.3 | 84% | 0.841 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 151.6 | -175.5 | -59.8 | 178.4 | 141.8 | 0 | 0 | 113.2 | ||
| 814 | P | 31 | Very low | 31.7 | Very low | 119 Ų | 119 | 136 Ų | 136 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 137.5 | 172.8 | 28.8 | -34.2 | 0 | 0 | 0 | 110.8 | ||
| 815 | P | 31.7 | Very low | 32.7 | Very low | 118 Ų | 118 | 130.2 Ų | 130.2 | 77% | 0.766 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 147.6 | -179.6 | 28.6 | -34.8 | 0 | 0 | 0 | 111.5 | ||
| 816 | P | 31.2 | Very low | 33.8 | Very low | 118 Ų | 118 | 126 Ų | 126 | 77% | 0.766 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 138.2 | -179.4 | 27.5 | -34.5 | 0 | 0 | 0 | 111.6 | Q818 | P816-Q818 PolarHBondContact O-N 3.36Š|
| 817 | S | 33.1 | Very low | 35.2 | Very low | 121 Ų | 121 | 125.4 Ų | 125.4 | 85% | 0.846 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 117.1 | 174.1 | 44.8 | 0 | 0 | 0 | 0 | 110.9 | ||
| 818 | Q | 31.5 | Very low | 36.3 | Very low | 182 Ų | 182 | 125.6 Ų | 125.6 | 85% | 0.85 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 139.4 | 174.1 | -67.8 | -173.2 | -5.1 | 0 | 0 | 110.1 | P816 | P816-Q818 PolarHBondContact O-N 3.36Š|
| 819 | P | 34.1 | Very low | 37.4 | Very low | 111 Ų | 111 | 124.5 Ų | 124.5 | 72% | 0.721 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 150.3 | 178.7 | 29.1 | -34.8 | 0 | 0 | 0 | 111 | V821 | P819-V821 PolarHBondContact O-N 3.25Š|
| 820 | S | 36 | Very low | 38.7 | Very low | 123 Ų | 123 | 127.9 Ų | 127.9 | 86% | 0.86 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 123.4 | 175.2 | 45 | 0 | 0 | 0 | 0 | 110.9 | D822 | S820-D822 PolarHBondContact O-N 2.92Š|
| 821 | V | 41.8 | Very low | 39.9 | Very low | 92 Ų | 92 | 124.5 Ų | 124.5 | 56% | 0.558 | 68% | 0.676 | S | S | * | * | trans | -74.3 | 110.5 | -172.8 | 179.6 | 0 | 0 | 0 | 0 | 109.9 | P819 L823 L826 | P819-V821 PolarHBondContact O-N 3.25Å; V821-L823 PolarHBondContact O-N 3.31Å; V821-L826 HydrophobicContact CG1-CD1 3.33Å; V821-L826 HydrophobicContact CG1-CG 4.34Å | ||
| 822 | D | 47 | Very low | 41.3 | Very low | 89 Ų | 89 | 122.3 Ų | 122.3 | 48% | 0.476 | 66% | 0.659 | S | S | . | * | trans | -69.1 | 101.4 | 171.8 | 177.5 | 17.7 | 0 | 0 | 0 | 110.2 | S820 K824 T825 L826 | S820-D822 PolarHBondContact O-N 2.92Å; D822-K824 PolarHBondContact O-N 3.47Å; D822-K824 WeakPolarHBondContact OD1-CB 3.26Å; D822-K824 PolarHBondContact OD1-N 3.06Å; D822-T825 WeakPolarHBondContact CB-OG1 3.46Å; D822-T825 PolarHBondContact O-N 2.99Å; D822-T825 VanDerWaalsContact O-N 3.14Å; D822-T825 PolarHBondContact O-OG1 3.25Å; D822-T825 PolarHBondContact OD2-OG1 2.96Å; D822-L826 PolarHBondContact O-N 3.45Å | ||
| 823 | L | 40.1 | Very low | 42.8 | Very low | 139 Ų | 139 | 125.1 Ų | 125.1 | 73% | 0.728 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -56.5 | -23.4 | 179 | -64.8 | 169.4 | 0 | 0 | 0 | 112.8 | V821 H827 | V821-L823 PolarHBondContact O-N 3.31Å; L823-H827 VanDerWaalsContact O-CB 3.26Å; L823-H827 WeakPolarHBondContact O-CB 3.47Å; L823-H827 PolarHBondContact O-N 3.33Å |
| 824 | K | 45.2 | Very low | 44.1 | Very low | 156 Ų | 156 | 120.7 Ų | 120.7 | 68% | 0.678 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -73.2 | -38.8 | 178.4 | -65.4 | 174.2 | -179.1 | 166.9 | 0 | 112.3 | D822 H827 L828 | D822-K824 PolarHBondContact O-N 3.47Å; D822-K824 WeakPolarHBondContact OD1-CB 3.26Å; D822-K824 PolarHBondContact OD1-N 3.06Å; K824-H827 PolarHBondContact O-N 3.5Å; K824-L828 WeakPolarHBondContact O-CB 3.26Å; K824-L828 PolarHBondContact O-N 2.9Å |
| 825 | T | 47.1 | Very low | 45.3 | Very low | 79 Ų | 79 | 120.6 Ų | 120.6 | 49% | 0.485 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -68.4 | -44.7 | 178.1 | 7 | 0 | 0 | 0 | 0 | 111 | D822 H827 L828 E829 | D822-T825 WeakPolarHBondContact CB-OG1 3.46Å; D822-T825 PolarHBondContact O-N 2.99Å; D822-T825 VanDerWaalsContact O-N 3.14Å; D822-T825 PolarHBondContact O-OG1 3.25Å; D822-T825 PolarHBondContact OD2-OG1 2.96Å; T825-H827 VanDerWaalsContact C-N 3.34Å; T825-H827 PolarHBondContact O-N 3.43Å; T825-L828 PolarHBondContact O-N 3.36Å; T825-E829 PolarHBondContact O-N 3.14Å |
| 826 | L | 48 | Very low | 46.6 | Very low | 93 Ų | 93 | 120.5 Ų | 120.5 | 49% | 0.487 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -62.7 | -38.1 | 174.1 | -79.1 | 174.7 | 0 | 0 | 0 | 112.8 | V821 D822 E829 R830 | V821-L826 HydrophobicContact CG1-CD1 3.33Å; V821-L826 HydrophobicContact CG1-CG 4.34Å; D822-L826 PolarHBondContact O-N 3.45Å; L826-E829 PolarHBondContact O-N 3.36Å; L826-R830 WeakPolarHBondContact O-CB 3.25Å; L826-R830 PolarHBondContact O-N 2.93Å |
| 827 | H | 54.8 | Low | 48 | Very low | 119 Ų | 119 | 121.6 Ų | 121.6 | 55% | 0.551 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -63 | -42.7 | 173.7 | 178.6 | 78.1 | 0 | 0 | 0 | 112.1 | L823 K824 T825 R830 M831 | L823-H827 VanDerWaalsContact O-CB 3.26Å; L823-H827 WeakPolarHBondContact O-CB 3.47Å; L823-H827 PolarHBondContact O-N 3.33Å; K824-H827 PolarHBondContact O-N 3.5Å; T825-H827 VanDerWaalsContact C-N 3.34Å; T825-H827 PolarHBondContact O-N 3.43Å; H827-R830 PolarHBondContact O-N 3.15Å; H827-M831 WeakPolarHBondContact O-CB 3.46Å; H827-M831 WeakPolarHBondContact O-CG 3.38Å; H827-M831 PolarHBondContact O-N 2.98Å |
| 828 | L | 49 | Very low | 49 | Very low | 90 Ų | 90 | 124.3 Ų | 124.3 | 47% | 0.471 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -64.4 | -36.4 | 175 | -89.4 | 154.3 | 0 | 0 | 0 | 112.9 | K824 T825 R832 | K824-L828 WeakPolarHBondContact O-CB 3.26Å; K824-L828 PolarHBondContact O-N 2.9Å; T825-L828 PolarHBondContact O-N 3.36Å; L828-R832 VanDerWaalsContact O-CG 3.29Å; L828-R832 WeakPolarHBondContact O-CG 3.33Å; L828-R832 PolarHBondContact O-N 3.08Å; L828-R832 VanDerWaalsContact O-N 3.15Å |
| 829 | E | 53.5 | Low | 50.3 | Low | 98 Ų | 98 | 120.8 Ų | 120.8 | 46% | 0.458 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -70.2 | -41 | 172.9 | -71.1 | -164.1 | 145.4 | 0 | 0 | 112.8 | T825 L826 R832 R833 | T825-E829 PolarHBondContact O-N 3.14Å; L826-E829 PolarHBondContact O-N 3.36Å; E829-R832 PolarHBondContact O-N 3.17Å; E829-R833 WeakPolarHBondContact O-CG 2.97Å; E829-R833 PolarHBondContact O-N 3.2Å |
| 830 | R | 52.6 | Low | 51.4 | Low | 176 Ų | 176 | 120.8 Ų | 120.8 | 66% | 0.664 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -62.1 | -45.4 | 175.8 | -172.2 | 173.2 | 177.7 | 165.7 | 0.9 | 111.3 | L826 H827 R832 R833 E834 | L826-R830 WeakPolarHBondContact O-CB 3.25Å; L826-R830 PolarHBondContact O-N 2.93Å; H827-R830 PolarHBondContact O-N 3.15Å; R830-R832 VanDerWaalsContact C-N 3.35Å; R830-R832 PolarHBondContact O-N 3.27Å; R830-R833 PolarHBondContact O-N 3.33Å; R830-E834 PolarHBondContact O-N 2.9Å |
| 831 | M | 52.5 | Low | 52.2 | Low | 99 Ų | 99 | 119.3 Ų | 119.3 | 49% | 0.488 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -58 | -43.3 | 173.8 | -82 | -72.7 | -73.5 | 0 | 0 | 112.4 | H827 E834 Q835 | H827-M831 WeakPolarHBondContact O-CB 3.46Å; H827-M831 WeakPolarHBondContact O-CG 3.38Å; H827-M831 PolarHBondContact O-N 2.98Å; M831-E834 PolarHBondContact O-N 3.16Å; M831-Q835 WeakPolarHBondContact O-CB 3.35Å; M831-Q835 PolarHBondContact O-N 3.32Å |
| 832 | R | 53.5 | Low | 53.1 | Low | 153 Ų | 153 | 118.8 Ų | 118.8 | 58% | 0.577 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.1 | -41.2 | 176.3 | -75.3 | 169.8 | 179.9 | 159 | 0.5 | 112.6 | L828 E829 R830 Q835 Q836 | L828-R832 VanDerWaalsContact O-CG 3.29Å; L828-R832 WeakPolarHBondContact O-CG 3.33Å; L828-R832 PolarHBondContact O-N 3.08Å; L828-R832 VanDerWaalsContact O-N 3.15Å; E829-R832 PolarHBondContact O-N 3.17Å; R830-R832 VanDerWaalsContact C-N 3.35Å; R830-R832 PolarHBondContact O-N 3.27Å; R832-Q835 PolarHBondContact O-N 2.88Å; R832-Q836 WeakPolarHBondContact O-CG 3.42Å; R832-Q836 PolarHBondContact O-N 2.99Å |
| 833 | R | 58.9 | Low | 53.2 | Low | 172 Ų | 172 | 120.4 Ų | 120.4 | 65% | 0.649 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -65.4 | -38.1 | 176.5 | -72.7 | 178.6 | -179.5 | 175.6 | 4 | 112.5 | E829 R830 K837 | E829-R833 WeakPolarHBondContact O-CG 2.97Å; E829-R833 PolarHBondContact O-N 3.2Å; R830-R833 PolarHBondContact O-N 3.33Å; R833-K837 PolarHBondContact O-N 2.91Å |
| 834 | E | 54.4 | Low | 53.6 | Low | 88 Ų | 88 | 119.5 Ų | 119.5 | 41% | 0.411 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -68.6 | -36.5 | 173.2 | -75 | -169.6 | -177.1 | 0 | 0 | 112.6 | R830 M831 K837 R838 | R830-E834 PolarHBondContact O-N 2.9Å; M831-E834 PolarHBondContact O-N 3.16Å; E834-K837 PolarHBondContact O-N 3.31Å; E834-R838 WeakPolarHBondContact O-CG 3.47Å; E834-R838 PolarHBondContact O-N 3.3Å |
| 835 | Q | 54.5 | Low | 53.7 | Low | 116 Ų | 116 | 119.8 Ų | 119.8 | 54% | 0.542 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.3 | -43.7 | 176.4 | -159.8 | 164.5 | 8.3 | 0 | 0 | 111.2 | M831 R832 R838 E839 | M831-Q835 WeakPolarHBondContact O-CB 3.35Å; M831-Q835 PolarHBondContact O-N 3.32Å; R832-Q835 PolarHBondContact O-N 2.88Å; Q835-R838 PolarHBondContact O-N 3.16Å; Q835-E839 WeakPolarHBondContact O-CG 3.5Å; Q835-E839 PolarHBondContact O-N 2.88Å |
| 836 | Q | 59.4 | Low | 53.5 | Low | 116 Ų | 116 | 123.4 Ų | 123.4 | 54% | 0.542 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -60.7 | -47.9 | 172.1 | -74.2 | 175.5 | -35.4 | 0 | 0 | 112.3 | R832 R838 E839 E840 | R832-Q836 WeakPolarHBondContact O-CG 3.42Å; R832-Q836 PolarHBondContact O-N 2.99Å; Q836-R838 PolarHBondContact O-N 3.1Å; Q836-E839 PolarHBondContact O-N 2.96Å; Q836-E840 WeakPolarHBondContact O-CG 3.3Å; Q836-E840 PolarHBondContact O-N 2.98Å |
| 837 | K | 60.7 | Low | 53.1 | Low | 142 Ų | 142 | 126.4 Ų | 126.4 | 62% | 0.617 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -59.4 | -32.3 | 174.8 | -86 | -174 | 172 | -177.9 | 0 | 113.4 | R833 E834 N841 | R833-K837 PolarHBondContact O-N 2.91Å; E834-K837 PolarHBondContact O-N 3.31Å; K837-N841 WeakPolarHBondContact O-CB 3.25Å; K837-N841 PolarHBondContact O-N 2.87Å; K837-N841 PolarHBondContact O-ND2 3.22Å |
| 838 | R | 54.7 | Low | 52.5 | Low | 177 Ų | 177 | 128.5 Ų | 128.5 | 67% | 0.668 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -71.4 | -38.9 | 174 | -76.2 | 177.8 | 179.3 | -174.8 | 3 | 111.7 | E834 Q835 Q836 V842 | E834-R838 WeakPolarHBondContact O-CG 3.47Å; E834-R838 PolarHBondContact O-N 3.3Å; Q835-R838 PolarHBondContact O-N 3.16Å; Q836-R838 PolarHBondContact O-N 3.1Å; R838-V842 VanDerWaalsContact O-CG2 3.31Å; R838-V842 WeakPolarHBondContact O-CG2 3.48Å; R838-V842 PolarHBondContact O-N 2.93Å; R838-V842 VanDerWaalsContact O-N 3.08Å |
| 839 | E | 58.7 | Low | 52.1 | Low | 108 Ų | 108 | 131 Ų | 131 | 51% | 0.505 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -67.5 | -42.4 | 176.3 | -72.3 | 175 | -178.1 | 0 | 0 | 112.2 | Q835 Q836 V842 Q843 | Q835-E839 WeakPolarHBondContact O-CG 3.5Å; Q835-E839 PolarHBondContact O-N 2.88Å; Q836-E839 PolarHBondContact O-N 2.96Å; E839-V842 PolarHBondContact O-N 3.42Å; E839-Q843 WeakPolarHBondContact O-CG 3.39Å; E839-Q843 PolarHBondContact O-N 3.44Å |
| 840 | E | 56.6 | Low | 50.9 | Low | 112 Ų | 112 | 131.7 Ų | 131.7 | 52% | 0.523 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -60 | -46.1 | 173.7 | -71.4 | 173.4 | 164.2 | 0 | 0 | 111.9 | Q836 V842 Q843 Q844 | Q836-E840 WeakPolarHBondContact O-CG 3.3Å; Q836-E840 PolarHBondContact O-N 2.98Å; E840-V842 VanDerWaalsContact C-N 3.28Å; E840-V842 PolarHBondContact O-N 3.2Å; E840-Q843 PolarHBondContact O-N 2.83Å; E840-Q843 VanDerWaalsContact O-N 3.12Å; E840-Q844 WeakPolarHBondContact O-CG 3.48Å; E840-Q844 PolarHBondContact O-N 3.46Å |
| 841 | N | 53.4 | Low | 50.1 | Low | 92 Ų | 92 | 130.8 Ų | 130.8 | 49% | 0.492 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -62.7 | -32.1 | 175.2 | -84.7 | -60.5 | 0 | 0 | 0 | 113.1 | K837 K845 | K837-N841 WeakPolarHBondContact O-CB 3.25Å; K837-N841 PolarHBondContact O-N 2.87Å; K837-N841 PolarHBondContact O-ND2 3.22Å; N841-K845 WeakPolarHBondContact O-CG 3.41Å; N841-K845 PolarHBondContact O-N 3.42Å; N841-K845 VanDerWaalsContact O-N 3.14Å |
| 842 | V | 60.2 | Low | 50.1 | Low | 80 Ų | 80 | 131.8 Ų | 131.8 | 49% | 0.485 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -73.6 | -33.4 | 174 | 168.4 | 0 | 0 | 0 | 0 | 111.6 | R838 E839 E840 K846 | R838-V842 VanDerWaalsContact O-CG2 3.31Å; R838-V842 WeakPolarHBondContact O-CG2 3.48Å; R838-V842 PolarHBondContact O-N 2.93Å; R838-V842 VanDerWaalsContact O-N 3.08Å; E839-V842 PolarHBondContact O-N 3.42Å; E840-V842 VanDerWaalsContact C-N 3.28Å; E840-V842 PolarHBondContact O-N 3.2Å; V842-K846 WeakPolarHBondContact O-CG 3.26Å; V842-K846 PolarHBondContact O-N 3.06Å |
| 843 | Q | 50.1 | Low | 48.8 | Very low | 123 Ų | 123 | 129.4 Ų | 129.4 | 58% | 0.575 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -70.5 | -42.8 | 174 | -69.9 | -178.5 | 19.2 | 0 | 0 | 112 | E839 E840 K845 K846 Q847 | E839-Q843 WeakPolarHBondContact O-CG 3.39Å; E839-Q843 PolarHBondContact O-N 3.44Å; E840-Q843 PolarHBondContact O-N 2.83Å; E840-Q843 VanDerWaalsContact O-N 3.12Å; Q843-K845 PolarHBondContact O-N 2.78Å; Q843-K846 WeakPolarHBondContact O-CB 3.45Å; Q843-K846 PolarHBondContact O-N 2.98Å; Q843-Q847 PolarHBondContact O-N 2.91Å; Q843-Q847 VanDerWaalsContact O-N 3.1Å |
| 844 | Q | 48.4 | Very low | 47.3 | Very low | 120 Ų | 120 | 125.5 Ų | 125.5 | 56% | 0.561 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -60.9 | -42.2 | 174.5 | -71.2 | -179.2 | 1.8 | 0 | 0 | 112 | E840 K846 Q847 Q848 | E840-Q844 WeakPolarHBondContact O-CG 3.48Å; E840-Q844 PolarHBondContact O-N 3.46Å; Q844-K846 VanDerWaalsContact C-N 3.26Å; Q844-K846 PolarHBondContact O-N 3.3Å; Q844-Q847 PolarHBondContact O-N 3.14Å; Q844-Q847 VanDerWaalsContact O-N 3.15Å; Q844-Q848 PolarHBondContact O-N 2.82Å |
| 845 | K | 47.8 | Very low | 46.1 | Very low | 162 Ų | 162 | 130.8 Ų | 130.8 | 70% | 0.704 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -64.1 | -25.6 | 173.2 | -79.2 | -176.4 | 174.9 | -178.3 | 0 | 114.2 | N841 Q843 | N841-K845 WeakPolarHBondContact O-CG 3.41Å; N841-K845 PolarHBondContact O-N 3.42Å; N841-K845 VanDerWaalsContact O-N 3.14Å; Q843-K845 PolarHBondContact O-N 2.78Å |
| 846 | K | 41.5 | Very low | 44.7 | Very low | 156 Ų | 156 | 128.7 Ų | 128.7 | 68% | 0.678 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -78.4 | -27.8 | 173.3 | -77.8 | 175.9 | 177.1 | 178.4 | 0 | 112.9 | V842 Q843 Q844 | V842-K846 WeakPolarHBondContact O-CG 3.26Å; V842-K846 PolarHBondContact O-N 3.06Å; Q843-K846 WeakPolarHBondContact O-CB 3.45Å; Q843-K846 PolarHBondContact O-N 2.98Å; Q844-K846 VanDerWaalsContact C-N 3.26Å; Q844-K846 PolarHBondContact O-N 3.3Å |
| 847 | Q | 40.9 | Very low | 43.2 | Very low | 155 Ų | 155 | 130.4 Ų | 130.4 | 72% | 0.724 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -78.7 | -22.2 | 178 | -71.9 | 177.1 | -8.1 | 0 | 0 | 113.5 | Q843 Q844 N849 | Q843-Q847 PolarHBondContact O-N 2.91Å; Q843-Q847 VanDerWaalsContact O-N 3.1Å; Q844-Q847 PolarHBondContact O-N 3.14Å; Q844-Q847 VanDerWaalsContact O-N 3.15Å; Q847-N849 VanDerWaalsContact C-N 3.35Å |
| 848 | Q | 41.7 | Very low | 41.7 | Very low | 164 Ų | 164 | 133.2 Ų | 133.2 | 77% | 0.766 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -9.4 | 176.1 | -77.3 | -175.9 | -23 | 0 | 0 | 115.1 | Q844 | Q844-Q848 PolarHBondContact O-N 2.82Š|
| 849 | N | 40 | Very low | 40.5 | Very low | 143 Ų | 143 | 134.7 Ų | 134.7 | 77% | 0.765 | 72% | 0.721 | S | S | * | * | trans | -114.3 | 79.7 | 179.4 | -97 | -7.5 | 0 | 0 | 0 | 112 | Q847 | Q847-N849 VanDerWaalsContact C-N 3.35Š| ||
| 850 | C | 29.3 | Very low | 38.9 | Very low | 112 Ų | 112 | 135.6 Ų | 135.6 | 76% | 0.757 | 74% | 0.739 | S | S | * | * | trans | -145.7 | 145.4 | 164.8 | -87.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 851 | N | 34.2 | Very low | 37.6 | Very low | 157 Ų | 157 | 140.3 Ų | 140.3 | 84% | 0.84 | 76% | 0.757 | S | S | * | * | trans | 91 | 144.5 | 164.9 | -78 | 1.5 | 0 | 0 | 0 | 120.3 | ||||
| 852 | P | 53 | Low | 36.4 | Very low | 120 Ų | 120 | 139.3 Ų | 139.3 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | -146.5 | 167.1 | -112.1 | 42.2 | -23 | 0 | 0 | 0 | 118.5 | |||||
| 853 | A | 26.1 | Very low | 34.7 | Very low | 103 Ų | 103 | 145.5 Ų | 145.5 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | trans | -178.7 | 158.5 | 155.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 854 | A | 27.7 | Very low | 34.2 | Very low | 89 Ų | 89 | 149.7 Ų | 149.7 | 74% | 0.736 | 81% | 0.806 | S | S | * | * | cis | -163.6 | 138.2 | -28.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 855 | Q | 29.2 | Very low | 33.3 | Very low | 199 Ų | 199 | 153.9 Ų | 153.9 | 93% | 0.93 | 82% | 0.822 | S | S | * | * | trans | 55.7 | 130.1 | 149.5 | -60.8 | -175.8 | 4.2 | 0 | 0 | 124.6 | ||||
| 856 | G | 26 | Very low | 32.6 | Very low | 73 Ų | 73 | 152.7 Ų | 152.7 | 75% | 0.753 | 83% | 0.829 | S | S | * | * | trans | 107.6 | 135.6 | 153.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 857 | T | 27.4 | Very low | 32.5 | Very low | 151 Ų | 151 | 154.4 Ų | 154.4 | 93% | 0.926 | 84% | 0.836 | S | S | * | * | cis | -149.8 | -178.9 | 0.2 | 31.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 858 | K | 27.8 | Very low | 32.8 | Very low | 202 Ų | 202 | 149.3 Ų | 149.3 | 88% | 0.878 | 82% | 0.821 | S | S | * | * | trans | -80.4 | 138.8 | -164.5 | -68.1 | 169.6 | 178.6 | 167.8 | 0 | 116.1 | ||||
| 859 | K | 30.4 | Very low | 33.2 | Very low | 208 Ų | 208 | 141.7 Ų | 141.7 | 90% | 0.904 | 79% | 0.786 | S | S | * | * | trans | 36.7 | 128.2 | 141 | -69 | -180 | 176.3 | 173.9 | 0 | 120.6 | ||||
| 860 | S | 25 | Very low | 33.8 | Very low | 126 Ų | 126 | 136 Ų | 136 | 88% | 0.881 | 76% | 0.758 | S | S | * | * | -142.1 | 155.1 | 128.7 | 76.8 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 861 | K | 29.9 | Very low | 34.8 | Very low | 212 Ų | 212 | 134.8 Ų | 134.8 | 92% | 0.922 | 75% | 0.751 | S | S | * | * | trans | -102 | 128.3 | -177.6 | -87.6 | -177.4 | 173.7 | 179.2 | 0 | 111.3 | ||||
| 862 | G | 27.1 | Very low | 35.6 | Very low | 71 Ų | 71 | 131.8 Ų | 131.8 | 73% | 0.732 | 73% | 0.734 | S | S | * | * | trans | 95.3 | 125.2 | 131.7 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 863 | K | 26 | Very low | 35.8 | Very low | 209 Ų | 209 | 128.4 Ų | 128.4 | 91% | 0.909 | 71% | 0.709 | S | S | * | * | -168.5 | 145 | 121.6 | -105.7 | 167.8 | -177.9 | 175.1 | 0 | 110.3 | |||||
| 864 | K | 38.1 | Very low | 37.2 | Very low | 212 Ų | 212 | 126.9 Ų | 126.9 | 92% | 0.922 | 70% | 0.697 | S | S | * | * | trans | -61.9 | 134.1 | 169.7 | -71.5 | 174.9 | 174.8 | 175.2 | 0 | 109.2 | ||||
| 865 | K | 30.4 | Very low | 38.4 | Very low | 207 Ų | 207 | 126.8 Ų | 126.8 | 90% | 0.9 | 70% | 0.696 | S | S | * | * | trans | -126.7 | 149.2 | 159.5 | -83.9 | -170.8 | 174.9 | -178.1 | 0 | 110.4 | ||||
| 866 | T | 33.8 | Very low | 39.6 | Very low | 138 Ų | 138 | 120.9 Ų | 120.9 | 85% | 0.847 | 68% | 0.681 | S | S | * | * | trans | -77.8 | 147.4 | -166.7 | 36.1 | 0 | 0 | 0 | 0 | 113.3 | A868 | T866-A868 PolarHBondContact O-N 3.13Š| ||
| 867 | K | 38.6 | Very low | 40.9 | Very low | 191 Ų | 191 | 119.7 Ų | 119.7 | 83% | 0.83 | 66% | 0.664 | S | S | * | * | trans | -74.2 | 109.2 | 172.4 | -71.3 | -173.6 | 176.4 | -175.5 | 0 | 110.5 | K903 | K867-K903 PolarHBondContact O-NZ 3.4Š| ||
| 868 | A | 46.9 | Very low | 42.2 | Very low | 49 Ų | 49 | 116.9 Ų | 116.9 | 41% | 0.405 | 65% | 0.647 | S | S | . | * | trans | -85.8 | 169.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | T866 D872 | T866-A868 PolarHBondContact O-N 3.13Å; A868-D872 HydrophobicContact CB-CB 3.53Å | ||
| 869 | G | 50.3 | Low | 43.4 | Very low | 4 Ų | 4 | 112.9 Ų | 112.9 | 4% | 0.041 | 64% | 0.641 | C | S | . | * | trans | -89.5 | 172.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | C871 D872 I873 | G869-C871 PolarHBondContact O-N 3.5Å; G869-D872 PolarHBondContact N-OD2 3Å; G869-D872 WeakPolarHBondContact O-CA 3.33Å; G869-D872 WeakPolarHBondContact O-CB 3.36Å; G869-D872 PolarHBondContact O-N 3.34Å; G869-I873 WeakPolarHBondContact O-CG1 3.5Å; G869-I873 PolarHBondContact O-N 2.9Å | ||
| 870 | A | 53.7 | Low | 44.4 | Very low | 22 Ų | 22 | 110.3 Ų | 110.3 | 18% | 0.182 | 64% | 0.637 | C | S | . | * | H | α-helix | trans | -56 | -41.7 | -174 | 0 | 0 | 0 | 0 | 0 | 114.3 | D872 I873 A874 | A870-D872 VanDerWaalsContact C-N 3.33Å; A870-D872 PolarHBondContact O-N 2.96Å; A870-I873 PolarHBondContact O-N 3.41Å; A870-A874 PolarHBondContact O-N 2.9Å; A870-A874 VanDerWaalsContact O-N 3.15Å |
| 871 | C | 48.4 | Very low | 45.6 | Very low | 88 Ų | 88 | 109.2 Ų | 109.2 | 60% | 0.595 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -65.1 | -35 | 174.5 | -66 | 0 | 0 | 0 | 0 | 113.1 | G869 I873 A875 | G869-C871 PolarHBondContact O-N 3.5Å; C871-I873 VanDerWaalsContact C-N 3.32Å; C871-A875 WeakPolarHBondContact O-CB 3.39Å; C871-A875 PolarHBondContact O-N 3.13Å |
| 872 | D | 52 | Low | 47.2 | Very low | 93 Ų | 93 | 105 Ų | 105 | 50% | 0.497 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -72.3 | -29.8 | 179.3 | -47.3 | -37.3 | 0 | 0 | 0 | 111.1 | A868 G869 A870 A876 | A868-D872 HydrophobicContact CB-CB 3.53Å; G869-D872 PolarHBondContact N-OD2 3Å; G869-D872 WeakPolarHBondContact O-CA 3.33Å; G869-D872 WeakPolarHBondContact O-CB 3.36Å; G869-D872 PolarHBondContact O-N 3.34Å; A870-D872 VanDerWaalsContact C-N 3.33Å; A870-D872 PolarHBondContact O-N 2.96Å; D872-A876 VanDerWaalsContact O-CB 3.32Å; D872-A876 WeakPolarHBondContact O-CB 3.46Å; D872-A876 PolarHBondContact O-N 3.14Å |
| 873 | I | 57.8 | Low | 48.7 | Very low | 49 Ų | 49 | 109.1 Ų | 109.1 | 25% | 0.251 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -71.1 | -43.9 | 176.1 | -66.1 | 165.6 | 0 | 0 | 0 | 110.2 | G869 A870 C871 A876 | G869-I873 WeakPolarHBondContact O-CG1 3.5Å; G869-I873 PolarHBondContact O-N 2.9Å; A870-I873 PolarHBondContact O-N 3.41Å; C871-I873 VanDerWaalsContact C-N 3.32Å; I873-A876 PolarHBondContact O-N 3.43Å |
| 874 | A | 53.7 | Low | 50.6 | Low | 71 Ų | 71 | 104.6 Ų | 104.6 | 59% | 0.587 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -67.7 | -36.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A870 A876 | A870-A874 PolarHBondContact O-N 2.9Å; A870-A874 VanDerWaalsContact O-N 3.15Å; A874-A876 VanDerWaalsContact C-N 3.27Å; A874-A876 PolarHBondContact O-N 3.16Å |
| 875 | A | 54.4 | Low | 51.7 | Low | 88 Ų | 88 | 96.9 Ų | 96.9 | 73% | 0.727 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | C871 | C871-A875 WeakPolarHBondContact O-CB 3.39Å; C871-A875 PolarHBondContact O-N 3.13Å |
| 876 | A | 54.2 | Low | 53.3 | Low | 74 Ų | 74 | 90.6 Ų | 90.6 | 61% | 0.612 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | -4.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | D872 I873 A874 | D872-A876 VanDerWaalsContact O-CB 3.32Å; D872-A876 WeakPolarHBondContact O-CB 3.46Å; D872-A876 PolarHBondContact O-N 3.14Å; I873-A876 PolarHBondContact O-N 3.43Å; A874-A876 VanDerWaalsContact C-N 3.27Å; A874-A876 PolarHBondContact O-N 3.16Å |
| 877 | A | 53.6 | Low | 54.8 | Low | 49 Ų | 49 | 88 Ų | 88 | 41% | 0.405 | 53% | 0.525 | S | S | . | . | trans | -87.8 | 116.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 878 | V | 55.2 | Low | 55.9 | Low | 91 Ų | 91 | 81.8 Ų | 81.8 | 55% | 0.552 | 51% | 0.505 | S | S | * | . | trans | -87.1 | 141.4 | 171.1 | -178.3 | 0 | 0 | 0 | 0 | 107.4 | D880 D881 | V878-D880 PolarHBondContact O-N 2.91Å; V878-D881 PolarHBondContact O-N 3.35Å | ||
| 879 | P | 51.2 | Low | 56.8 | Low | 118 Ų | 118 | 80.9 Ų | 80.9 | 77% | 0.766 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -2.6 | -168 | 23.2 | -35.3 | 0 | 0 | 0 | 117.6 | ||
| 880 | D | 52.3 | Low | 57.7 | Low | 154 Ų | 154 | 84.6 Ų | 84.6 | 82% | 0.824 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | 8.3 | -177.8 | -65.9 | -40.9 | 0 | 0 | 0 | 114.2 | V878 | V878-D880 PolarHBondContact O-N 2.91Š|
| 881 | D | 49.9 | Very low | 58.5 | Low | 104 Ų | 104 | 88 Ų | 88 | 56% | 0.556 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -84.5 | 148.9 | 179 | -84.1 | -34.3 | 0 | 0 | 0 | 113.8 | V878 | V878-D881 PolarHBondContact O-N 3.35Š|
| 882 | D | 62.9 | Low | 59.4 | Low | 124 Ų | 124 | 89.9 Ų | 89.9 | 66% | 0.663 | 54% | 0.536 | S | S | * | . | trans | -52 | 145.3 | -173.8 | -157.4 | -8.7 | 0 | 0 | 0 | 114.5 | D884 A885 L886 | D882-D884 VanDerWaalsContact C-N 3.33Å; D882-D884 PolarHBondContact O-N 2.93Å; D882-A885 HydrophobicContact CB-CB 4.43Å; D882-A885 WeakPolarHBondContact O-CA 3.38Å; D882-A885 VanDerWaalsContact O-CB 3.26Å; D882-A885 WeakPolarHBondContact O-CB 3.48Å; D882-A885 PolarHBondContact O-N 2.94Å; D882-L886 PolarHBondContact O-N 3.5Å; D882-L886 VanDerWaalsContact O-N 3.08Å | ||
| 883 | F | 59.9 | Low | 60.1 | Low | 157 Ų | 157 | 86.6 Ų | 86.6 | 69% | 0.689 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.5 | -39 | -166.8 | -160 | -98.4 | 0 | 0 | 0 | 112.6 | A885 L886 I887 | F883-A885 VanDerWaalsContact C-N 3.32Å; F883-A885 PolarHBondContact O-N 2.87Å; F883-L886 WeakPolarHBondContact O-CB 3.45Å; F883-L886 PolarHBondContact O-N 2.97Å; F883-I887 HydrophobicContact CD1-CD1 3.74Å; F883-I887 HydrophobicContact CD1-CG1 4.44Å; F883-I887 HydrophobicContact CE1-CD1 3.84Å; F883-I887 WeakPolarHBondContact O-CG1 3.28Å; F883-I887 PolarHBondContact O-N 3.02Å |
| 884 | D | 64.7 | Low | 60.7 | Low | 114 Ų | 114 | 89.4 Ų | 89.4 | 61% | 0.61 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -69.7 | -26.6 | 175.4 | -77.4 | -23.4 | 0 | 0 | 0 | 113.2 | D882 S888 | D882-D884 VanDerWaalsContact C-N 3.33Å; D882-D884 PolarHBondContact O-N 2.93Å; D884-S888 VanDerWaalsContact O-CB 3.24Å; D884-S888 WeakPolarHBondContact O-CB 3.43Å; D884-S888 PolarHBondContact O-N 3.46Å; D884-S888 PolarHBondContact O-OG 3.37Å |
| 885 | A | 61 | Low | 61.8 | Low | 50 Ų | 50 | 87.2 Ų | 87.2 | 41% | 0.413 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -71.8 | -38.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | D882 F883 S888 A889 | D882-A885 HydrophobicContact CB-CB 4.43Å; D882-A885 WeakPolarHBondContact O-CA 3.38Å; D882-A885 VanDerWaalsContact O-CB 3.26Å; D882-A885 WeakPolarHBondContact O-CB 3.48Å; D882-A885 PolarHBondContact O-N 2.94Å; F883-A885 VanDerWaalsContact C-N 3.32Å; F883-A885 PolarHBondContact O-N 2.87Å; A885-S888 PolarHBondContact O-N 3.28Å; A885-A889 WeakPolarHBondContact O-CB 3.48Å; A885-A889 PolarHBondContact O-N 3.46Å |
| 886 | L | 65.8 | Low | 63.1 | Low | 75 Ų | 75 | 84.2 Ų | 84.2 | 39% | 0.393 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.5 | -49.2 | 173 | -128 | 86.4 | 0 | 0 | 0 | 111.5 | D882 F883 S888 A889 V890 | D882-L886 PolarHBondContact O-N 3.5Å; D882-L886 VanDerWaalsContact O-N 3.08Å; F883-L886 WeakPolarHBondContact O-CB 3.45Å; F883-L886 PolarHBondContact O-N 2.97Å; L886-S888 VanDerWaalsContact C-N 3.3Å; L886-S888 PolarHBondContact O-N 3.27Å; L886-A889 WeakPolarHBondContact O-CB 3.46Å; L886-A889 PolarHBondContact O-N 2.98Å; L886-A889 VanDerWaalsContact O-N 3.08Å; L886-V890 WeakPolarHBondContact O-CG2 3.38Å; L886-V890 PolarHBondContact O-N 3.45Å |
| 887 | I | 63.7 | Low | 64.5 | Low | 82 Ų | 82 | 80.7 Ų | 80.7 | 42% | 0.421 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -57.8 | -45.6 | 175.4 | -66.9 | 168.2 | 0 | 0 | 0 | 110.2 | F883 A889 V890 V891 | F883-I887 HydrophobicContact CD1-CD1 3.74Å; F883-I887 HydrophobicContact CD1-CG1 4.44Å; F883-I887 HydrophobicContact CE1-CD1 3.84Å; F883-I887 WeakPolarHBondContact O-CG1 3.28Å; F883-I887 PolarHBondContact O-N 3.02Å; I887-A889 VanDerWaalsContact C-N 3.26Å; I887-A889 PolarHBondContact O-N 3.14Å; I887-V890 PolarHBondContact O-N 3.09Å; I887-V891 HydrophobicContact CG2-CG2 4.31Å; I887-V891 WeakPolarHBondContact O-CG2 3.39Å; I887-V891 PolarHBondContact O-N 3.15Å |
| 888 | S | 62.8 | Low | 65.9 | Low | 61 Ų | 61 | 80.2 Ų | 80.2 | 43% | 0.427 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63.4 | -28.1 | 177.2 | -66.3 | 0 | 0 | 0 | 0 | 113.9 | D884 A885 L886 K892 | D884-S888 VanDerWaalsContact O-CB 3.24Å; D884-S888 WeakPolarHBondContact O-CB 3.43Å; D884-S888 PolarHBondContact O-N 3.46Å; D884-S888 PolarHBondContact O-OG 3.37Å; A885-S888 PolarHBondContact O-N 3.28Å; L886-S888 VanDerWaalsContact C-N 3.3Å; L886-S888 PolarHBondContact O-N 3.27Å; S888-K892 WeakPolarHBondContact O-CB 3.31Å; S888-K892 WeakPolarHBondContact O-CD 3.36Å; S888-K892 VanDerWaalsContact O-CG 3.29Å; S888-K892 WeakPolarHBondContact O-CG 3.32Å; S888-K892 PolarHBondContact O-N 3.03Å |
| 889 | A | 66.4 | Low | 67.2 | Low | 31 Ų | 31 | 79 Ų | 79 | 26% | 0.256 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -76.5 | -43 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A885 L886 I887 K892 A893 | A885-A889 WeakPolarHBondContact O-CB 3.48Å; A885-A889 PolarHBondContact O-N 3.46Å; L886-A889 WeakPolarHBondContact O-CB 3.46Å; L886-A889 PolarHBondContact O-N 2.98Å; L886-A889 VanDerWaalsContact O-N 3.08Å; I887-A889 VanDerWaalsContact C-N 3.26Å; I887-A889 PolarHBondContact O-N 3.14Å; A889-K892 PolarHBondContact O-N 3.38Å; A889-A893 PolarHBondContact O-N 2.92Å |
| 890 | V | 68.3 | Low | 68.2 | Low | 81 Ų | 81 | 78 Ų | 78 | 49% | 0.491 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63 | -48.8 | 176 | 174.3 | 0 | 0 | 0 | 0 | 111.1 | L886 I887 K892 A893 D894 | L886-V890 WeakPolarHBondContact O-CG2 3.38Å; L886-V890 PolarHBondContact O-N 3.45Å; I887-V890 PolarHBondContact O-N 3.09Å; V890-K892 PolarHBondContact O-N 3.29Å; V890-A893 WeakPolarHBondContact O-CA 3.49Å; V890-A893 WeakPolarHBondContact O-CB 3.24Å; V890-A893 PolarHBondContact O-N 3.24Å; V890-D894 PolarHBondContact O-N 2.9Å |
| 891 | V | 70.8 | Confident | 69 | Low | 94 Ų | 94 | 80.1 Ų | 80.1 | 57% | 0.57 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -58.4 | -34.6 | 176.3 | 172 | 0 | 0 | 0 | 0 | 111.7 | I887 S895 | I887-V891 HydrophobicContact CG2-CG2 4.31Å; I887-V891 WeakPolarHBondContact O-CG2 3.39Å; I887-V891 PolarHBondContact O-N 3.15Å; V891-S895 WeakPolarHBondContact O-CB 3.45Å; V891-S895 PolarHBondContact O-N 3.28Å |
| 892 | K | 66.6 | Low | 70.2 | Confident | 127 Ų | 127 | 75.9 Ų | 75.9 | 55% | 0.552 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -72 | -37.9 | 173.2 | -79 | 170.6 | -173.6 | 157 | 0 | 112.8 | S888 A889 V890 S895 | S888-K892 WeakPolarHBondContact O-CB 3.31Å; S888-K892 WeakPolarHBondContact O-CD 3.36Å; S888-K892 VanDerWaalsContact O-CG 3.29Å; S888-K892 WeakPolarHBondContact O-CG 3.32Å; S888-K892 PolarHBondContact O-N 3.03Å; A889-K892 PolarHBondContact O-N 3.38Å; V890-K892 PolarHBondContact O-N 3.29Å; K892-S895 PolarHBondContact O-N 3.14Å; K892-S895 PolarHBondContact O-OG 3.31Å |
| 893 | A | 66.6 | Low | 70.8 | Confident | 24 Ų | 24 | 76.4 Ų | 76.4 | 20% | 0.198 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -63.9 | -45.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A889 V890 S895 V896 | A889-A893 PolarHBondContact O-N 2.92Å; V890-A893 WeakPolarHBondContact O-CA 3.49Å; V890-A893 WeakPolarHBondContact O-CB 3.24Å; V890-A893 PolarHBondContact O-N 3.24Å; A893-S895 VanDerWaalsContact C-N 3.27Å; A893-S895 PolarHBondContact O-N 3.06Å; A893-V896 PolarHBondContact O-N 2.99Å |
| 894 | D | 70.3 | Confident | 71.7 | Confident | 109 Ų | 109 | 70.7 Ų | 70.7 | 58% | 0.583 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -69.2 | -23.7 | 177.9 | -72.9 | -22.2 | 0 | 0 | 0 | 113 | V890 V896 V906 | V890-D894 PolarHBondContact O-N 2.9Å; D894-V896 PolarHBondContact O-N 2.91Å; D894-V906 WeakPolarHBondContact O-CG2 3.49Å |
| 895 | S | 77.1 | Confident | 72.4 | Confident | 24 Ų | 24 | 68.6 Ų | 68.6 | 17% | 0.168 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -9.7 | 175.3 | 76.7 | 0 | 0 | 0 | 0 | 114.7 | V891 K892 A893 S905 V906 | V891-S895 WeakPolarHBondContact O-CB 3.45Å; V891-S895 PolarHBondContact O-N 3.28Å; K892-S895 PolarHBondContact O-N 3.14Å; K892-S895 PolarHBondContact O-OG 3.31Å; A893-S895 VanDerWaalsContact C-N 3.27Å; A893-S895 PolarHBondContact O-N 3.06Å; S895-S905 WeakPolarHBondContact O-CA 3.44Å; S895-V906 PolarHBondContact O-N 3.39Å |
| 896 | V | 82.5 | Confident | 73.3 | Confident | 25 Ų | 25 | 66.3 Ų | 66.3 | 15% | 0.152 | 37% | 0.368 | C | S | . | . | B | Isolated β-bridge | trans | -120.2 | 140.1 | -174.9 | -178.4 | 0 | 0 | 0 | 0 | 111.1 | A893 D894 S898 | A893-V896 PolarHBondContact O-N 2.99Å; D894-V896 PolarHBondContact O-N 2.91Å; V896-S898 PolarHBondContact O-N 3.44Å |
| 897 | C | 83.1 | Confident | 73.8 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 38% | 0.382 | C | S | . | . | trans | -51.5 | 125.4 | 179.3 | 173 | 0 | 0 | 0 | 0 | 112.7 | F899 C902 A904 V906 C921 | C897-F899 PolarHBondContact O-N 3.37Å; C897-C902 HydrophobicContact CB-CB 4.12Å; C897-A904 HydrophobicContact CB-CB 4.49Å; C897-A904 PolarHBondContact N-O 2.94Å; C897-V906 HydrophobicContact CB-CG1 3.81Å; C897-C921 HydrophobicContact CB-CB 4.15Å; C897-C921 PolarHBondContact SG-N 3.42Å; C897-C921 VanDerWaalsContact SG-N 3.36Å | ||
| 898 | S | 83.1 | Confident | 74 | Confident | 40 Ų | 40 | 70.9 Ų | 70.9 | 28% | 0.28 | 40% | 0.397 | S | S | . | . | trans | -71.1 | 10.6 | -177.4 | -46.1 | 0 | 0 | 0 | 0 | 115.4 | V896 Q919 | V896-S898 PolarHBondContact O-N 3.44Å; S898-Q919 PolarHBondContact N-O 2.65Å; S898-Q919 PolarHBondContact OG-O 3.16Å; S898-Q919 VanDerWaalsContact OG-O 3.08Å | ||
| 899 | F | 82.7 | Confident | 74.4 | Confident | 64 Ų | 64 | 73.6 Ų | 73.6 | 28% | 0.281 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -83.3 | 136 | 175.8 | -171.5 | -109.2 | 0 | 0 | 0 | 110.9 | C897 K901 C902 F920 H924 V929 H930 | C897-F899 PolarHBondContact O-N 3.37Å; F899-K901 PolarHBondContact O-N 3.38Å; F899-C902 HydrophobicContact CB-CB 4Å; F899-C902 HydrophobicContact CD1-CB 4.41Å; F899-C902 VanDerWaalsContact O-CB 3.31Å; F899-C902 WeakPolarHBondContact O-CB 3.47Å; F899-C902 PolarHBondContact O-N 3.41Å; F899-F920 HydrophobicContact CB-CD1 3.98Å; F899-F920 HydrophobicContact CB-CE1 4.15Å; F899-H924 HydrophobicContact CB-CB 3.83Å; F899-H924 AromaticContact CD1-CD2 3.61Å; F899-H924 AromaticContact CD1-CE1 3.93Å; F899-H924 AromaticContact CD1-CG 3.8Å; F899-H924 AromaticContact CD1-ND1 3.98Å; F899-H924 AromaticContact CD1-NE2 3.73Å; F899-H924 AromaticContact CE1-CD2 3.95Å; F899-H924 HydrophobicContact CG-CB 4.04Å; F899-H924 AromaticContact CG-CG 3.82Å; F899-V929 HydrophobicContact CE2-CG1 4.16Å; F899-V929 VanDerWaalsContact CE2-O 3.25Å; F899-V929 WeakPolarHBondContact CE2-O 3.47Å; F899-V929 HydrophobicContact CZ-CG1 4.28Å; F899-H930 HydrophobicContact CD2-CB 3.91Å; F899-H930 HydrophobicContact CE2-CB 4.35Å |
| 900 | V | 71.8 | Confident | 75.1 | Confident | 99 Ų | 99 | 73.4 Ų | 73.4 | 60% | 0.6 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 125.5 | -175.2 | -178.5 | 0 | 0 | 0 | 0 | 110.2 | C902 | V900-C902 VanDerWaalsContact C-N 3.27Å; V900-C902 PolarHBondContact O-N 2.89Å |
| 901 | K | 68.5 | Low | 75.6 | Confident | 197 Ų | 197 | 73.9 Ų | 73.9 | 86% | 0.857 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.9 | 3.9 | -173.8 | -57.4 | 168.1 | -177.4 | 178 | 0 | 116.4 | F899 | F899-K901 PolarHBondContact O-N 3.38Š|
| 902 | C | 75.1 | Confident | 76.2 | Confident | 15 Ų | 15 | 73.9 Ų | 73.9 | 10% | 0.101 | 40% | 0.401 | C | S | . | . | trans | -75.9 | 147 | 169.7 | -164.7 | 0 | 0 | 0 | 0 | 111.6 | C897 F899 V900 H924 | C897-C902 HydrophobicContact CB-CB 4.12Å; F899-C902 HydrophobicContact CB-CB 4Å; F899-C902 HydrophobicContact CD1-CB 4.41Å; F899-C902 VanDerWaalsContact O-CB 3.31Å; F899-C902 WeakPolarHBondContact O-CB 3.47Å; F899-C902 PolarHBondContact O-N 3.41Å; V900-C902 VanDerWaalsContact C-N 3.27Å; V900-C902 PolarHBondContact O-N 2.89Å; C902-H924 PolarHBondContact SG-CE1 3.41Å; C902-H924 PolarHBondContact SG-ND1 3.18Å; C902-H924 VanDerWaalsContact SG-ND1 3.43Å | ||
| 903 | K | 77.3 | Confident | 77 | Confident | 135 Ų | 135 | 68.1 Ų | 68.1 | 59% | 0.587 | 38% | 0.377 | S | S | * | . | trans | -130 | 14.9 | 178.3 | -58.2 | -172.4 | -178 | -175.5 | 0 | 113 | K867 | K867-K903 PolarHBondContact O-NZ 3.4Š| ||
| 904 | A | 77.9 | Confident | 77.7 | Confident | 37 Ų | 37 | 72.6 Ų | 72.6 | 31% | 0.306 | 40% | 0.396 | S | S | . | . | trans | -74.7 | 137.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | C897 C921 | C897-A904 HydrophobicContact CB-CB 4.49Å; C897-A904 PolarHBondContact N-O 2.94Å; A904-C921 HydrophobicContact CB-CB 3.81Å | ||
| 905 | S | 79.7 | Confident | 78.4 | Confident | 70 Ų | 70 | 70 Ų | 70 | 49% | 0.49 | 38% | 0.378 | S | S | . | . | B | Isolated β-bridge | trans | -68.4 | 139.3 | 171 | 179.4 | 0 | 0 | 0 | 0 | 110.2 | S895 L907 | S895-S905 WeakPolarHBondContact O-CA 3.44Å; S905-L907 PolarHBondContact OG-N 3.33Å |
| 906 | V | 79.9 | Confident | 78.6 | Confident | 3 Ų | 3 | 71 Ų | 71 | 2% | 0.018 | 38% | 0.384 | C | S | . | . | trans | -109.9 | -3.2 | 176.2 | -72.1 | 0 | 0 | 0 | 0 | 113.4 | D894 S895 C897 T908 G910 Q919 C921 | D894-V906 WeakPolarHBondContact O-CG2 3.49Å; S895-V906 PolarHBondContact O-N 3.39Å; C897-V906 HydrophobicContact CB-CG1 3.81Å; V906-T908 PolarHBondContact O-N 3.33Å; V906-G910 VanDerWaalsContact O-CA 3.3Å; V906-G910 WeakPolarHBondContact O-CA 3.22Å; V906-G910 PolarHBondContact O-N 3.43Å; V906-Q919 HydrophobicContact CB-CB 4.37Å; V906-Q919 HydrophobicContact CG2-CB 4.11Å; V906-C921 HydrophobicContact CG1-CB 4.29Å | ||
| 907 | L | 75.4 | Confident | 78.5 | Confident | 130 Ų | 130 | 75.3 Ų | 75.3 | 68% | 0.681 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -28.3 | -176.6 | -72.9 | 169.8 | 0 | 0 | 0 | 115.5 | S905 | S905-L907 PolarHBondContact OG-N 3.33Š|
| 908 | T | 67.3 | Low | 78.4 | Confident | 122 Ų | 122 | 82.8 Ų | 82.8 | 75% | 0.748 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.6 | -25.7 | -175.4 | 51.2 | 0 | 0 | 0 | 0 | 114.8 | V906 | V906-T908 PolarHBondContact O-N 3.33Š|
| 909 | L | 72.6 | Confident | 78.4 | Confident | 118 Ų | 118 | 84.8 Ų | 84.8 | 62% | 0.618 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -141.1 | 25.8 | -174.7 | -67.8 | 174.1 | 0 | 0 | 0 | 112.2 | L922 | L909-L922 HydrophobicContact CB-CD1 4.45Š|
| 910 | G | 79.7 | Confident | 78.6 | Confident | 27 Ų | 27 | 82 Ų | 82 | 28% | 0.278 | 43% | 0.428 | S | S | . | . | trans | -72.5 | 140 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V906 F920 | V906-G910 VanDerWaalsContact O-CA 3.3Å; V906-G910 WeakPolarHBondContact O-CA 3.22Å; V906-G910 PolarHBondContact O-N 3.43Å; G910-F920 WeakPolarHBondContact CA-O 3.33Å | ||
| 911 | Q | 79.1 | Confident | 79.3 | Confident | 91 Ų | 91 | 77.9 Ų | 77.9 | 43% | 0.425 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 134.1 | 168 | -71 | -169.9 | -6.2 | 0 | 0 | 110.2 | F920 L922 H925 | Q911-F920 PolarHBondContact N-O 2.92Å; Q911-F920 PolarHBondContact O-N 3.13Å; Q911-L922 HydrophobicContact CG-CD2 4.09Å; Q911-H925 HydrophobicContact CB-CB 3.96Å; Q911-H925 PolarHBondContact OE1-CD2 3.21Å; Q911-H925 PolarHBondContact OE1-NE2 2.98Å |
| 912 | L | 84.3 | Confident | 79.9 | Confident | 95 Ų | 95 | 72.8 Ų | 72.8 | 50% | 0.497 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 127 | 175.8 | -168 | 90.7 | 0 | 0 | 0 | 109.7 | I914 Q919 | L912-I914 PolarHBondContact O-N 3.34Å; L912-Q919 HydrophobicContact CD1-CG 4Å |
| 913 | C | 83.1 | Confident | 80.1 | Confident | 6 Ų | 6 | 75.7 Ų | 75.7 | 4% | 0.041 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 114 | 168.4 | 175.9 | 0 | 0 | 0 | 0 | 110.7 | Y915 C916 N917 R918 F920 H930 | C913-Y915 PolarHBondContact O-N 3.22Å; C913-Y915 PolarHBondContact SG-N 3.46Å; C913-C916 PolarHBondContact O-N 3.42Å; C913-N917 WeakPolarHBondContact O-CA 3.49Å; C913-N917 PolarHBondContact O-N 3.17Å; C913-R918 PolarHBondContact N-O 3.12Å; C913-F920 HydrophobicContact CB-CD2 4.07Å; C913-F920 HydrophobicContact CB-CE2 3.88Å; C913-H930 WeakPolarHBondContact CB-NE2 3.41Å; C913-H930 PolarHBondContact SG-NE2 3.01Å |
| 914 | I | 81.2 | Confident | 80.4 | Confident | 118 Ų | 118 | 71.2 Ų | 71.2 | 61% | 0.605 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -9.4 | 178.6 | 63.5 | 173.3 | 0 | 0 | 0 | 115.4 | L912 | L912-I914 PolarHBondContact O-N 3.34Š|
| 915 | Y | 84.7 | Confident | 80.6 | Confident | 54 Ų | 54 | 72.3 Ų | 72.3 | 21% | 0.212 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -13.1 | -178.2 | -54.7 | -67.5 | 0 | 0 | 0 | 114.4 | C913 P927 C932 K935 A936 H939 | C913-Y915 PolarHBondContact O-N 3.22Å; C913-Y915 PolarHBondContact SG-N 3.46Å; Y915-P927 HydrophobicContact CD2-CB 4.15Å; Y915-P927 HydrophobicContact CD2-CG 3.98Å; Y915-P927 HydrophobicContact CE2-CB 4.31Å; Y915-P927 HydrophobicContact CE2-CG 3.85Å; Y915-C932 HydrophobicContact CD2-CB 4.36Å; Y915-C932 HydrophobicContact CG-CB 4.49Å; Y915-K935 HydrophobicContact CD1-CB 3.98Å; Y915-K935 HydrophobicContact CG-CB 4.17Å; Y915-K935 PolarHBondContact O-NZ 3.26Å; Y915-A936 HydrophobicContact CD2-CB 4.25Å; Y915-A936 HydrophobicContact CE2-CB 3.61Å; Y915-H939 HydrophobicContact CE1-CB 4.15Å; Y915-H939 PolarHBondContact OH-ND1 2.84Å |
| 916 | C | 81.6 | Confident | 80.8 | Confident | 44 Ų | 44 | 72.4 Ų | 72.4 | 30% | 0.297 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -140.5 | -1.5 | 176.8 | 65.4 | 0 | 0 | 0 | 0 | 114.8 | C913 R918 C932 | C913-C916 PolarHBondContact O-N 3.42Å; C916-R918 PolarHBondContact O-N 2.94Å; C916-C932 VanDerWaalsContact SG-SG 3.69Å |
| 917 | N | 80.3 | Confident | 80.9 | Confident | 117 Ų | 117 | 73.6 Ų | 73.6 | 63% | 0.626 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 35.4 | 179.2 | -63.3 | -3.8 | 0 | 0 | 0 | 114.7 | C913 | C913-N917 WeakPolarHBondContact O-CA 3.49Å; C913-N917 PolarHBondContact O-N 3.17Å |
| 918 | R | 81.8 | Confident | 81.3 | Confident | 156 Ų | 156 | 72.2 Ų | 72.2 | 59% | 0.589 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 148.8 | 174 | -66.9 | 178.6 | -174.7 | -169.7 | -1 | 110.8 | C913 C916 F920 | C913-R918 PolarHBondContact N-O 3.12Å; C916-R918 PolarHBondContact O-N 2.94Å; R918-F920 HydrophobicContact CB-CE2 3.68Å; R918-F920 HydrophobicContact CB-CZ 3.88Å; R918-F920 WeakPolarHBondContact O-CD2 3.43Å; R918-F920 WeakPolarHBondContact O-CE2 3.33Å |
| 919 | Q | 83.1 | Confident | 82 | Confident | 82 Ų | 82 | 69.4 Ų | 69.4 | 38% | 0.383 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 133.1 | 178 | -72.3 | -167.6 | 1.9 | 0 | 0 | 112.2 | S898 V906 L912 | S898-Q919 PolarHBondContact N-O 2.65Å; S898-Q919 PolarHBondContact OG-O 3.16Å; S898-Q919 VanDerWaalsContact OG-O 3.08Å; V906-Q919 HydrophobicContact CB-CB 4.37Å; V906-Q919 HydrophobicContact CG2-CB 4.11Å; L912-Q919 HydrophobicContact CD1-CG 4Å |
| 920 | F | 86.7 | Confident | 82.3 | Confident | 6 Ų | 6 | 65.2 Ų | 65.2 | 3% | 0.026 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 149.2 | 179.1 | -61 | -85.3 | 0 | 0 | 0 | 110.8 | F899 G910 Q911 C913 R918 H924 H925 H930 | F899-F920 HydrophobicContact CB-CD1 3.98Å; F899-F920 HydrophobicContact CB-CE1 4.15Å; G910-F920 WeakPolarHBondContact CA-O 3.33Å; Q911-F920 PolarHBondContact N-O 2.92Å; Q911-F920 PolarHBondContact O-N 3.13Å; C913-F920 HydrophobicContact CB-CD2 4.07Å; C913-F920 HydrophobicContact CB-CE2 3.88Å; R918-F920 HydrophobicContact CB-CE2 3.68Å; R918-F920 HydrophobicContact CB-CZ 3.88Å; R918-F920 WeakPolarHBondContact O-CD2 3.43Å; R918-F920 WeakPolarHBondContact O-CE2 3.33Å; F920-H924 HydrophobicContact CB-CB 4.32Å; F920-H924 HydrophobicContact CD1-CB 4.27Å; F920-H925 HydrophobicContact CB-CB 4.1Å; F920-H930 HydrophobicContact CD1-CB 4.33Å; F920-H930 AromaticContact CD2-CE1 3.96Å; F920-H930 AromaticContact CD2-ND1 3.96Å; F920-H930 HydrophobicContact CE1-CB 3.64Å; F920-H930 AromaticContact CE1-CG 3.78Å; F920-H930 HydrophobicContact CE2-CB 4.48Å; F920-H930 AromaticContact CE2-CD2 3.64Å; F920-H930 AromaticContact CE2-CE1 3.78Å; F920-H930 AromaticContact CE2-CG 3.74Å; F920-H930 AromaticContact CE2-ND1 3.83Å; F920-H930 AromaticContact CE2-NE2 3.7Å; F920-H930 HydrophobicContact CZ-CB 3.74Å; F920-H930 AromaticContact CZ-CD2 3.53Å; F920-H930 AromaticContact CZ-CG 3.45Å; F920-H930 VanDerWaalsContact CZ-CG 3.45Å; F920-H930 AromaticContact CZ-ND1 3.95Å |
| 921 | C | 85.4 | Confident | 82.3 | Confident | 13 Ų | 13 | 67.3 Ų | 67.3 | 9% | 0.088 | 36% | 0.358 | C | S | . | . | trans | -69.4 | 161.5 | 168.9 | 61.1 | 0 | 0 | 0 | 0 | 110.4 | C897 A904 V906 S923 H924 H925 | C897-C921 HydrophobicContact CB-CB 4.15Å; C897-C921 PolarHBondContact SG-N 3.42Å; C897-C921 VanDerWaalsContact SG-N 3.36Å; A904-C921 HydrophobicContact CB-CB 3.81Å; V906-C921 HydrophobicContact CG1-CB 4.29Å; C921-S923 PolarHBondContact O-N 3.22Å; C921-S923 PolarHBondContact SG-OG 3.12Å; C921-H924 PolarHBondContact O-N 3.08Å; C921-H924 PolarHBondContact SG-ND1 2.89Å; C921-H925 PolarHBondContact O-N 2.86Å | ||
| 922 | L | 81.6 | Confident | 82.6 | Confident | 90 Ų | 90 | 63.5 Ų | 63.5 | 47% | 0.471 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -25.5 | -174.6 | -60.4 | 173.7 | 0 | 0 | 0 | 114.5 | L909 Q911 H925 | L909-L922 HydrophobicContact CB-CD1 4.45Å; Q911-L922 HydrophobicContact CG-CD2 4.09Å; L922-H925 PolarHBondContact O-CE1 3.4Å; L922-H925 PolarHBondContact O-ND1 3.47Å |
| 923 | S | 79.8 | Confident | 82.6 | Confident | 76 Ų | 76 | 59.2 Ų | 59.2 | 53% | 0.531 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -19.7 | 174.7 | 62.9 | 0 | 0 | 0 | 0 | 115.4 | C921 | C921-S923 PolarHBondContact O-N 3.22Å; C921-S923 PolarHBondContact SG-OG 3.12Å |
| 924 | H | 83.8 | Confident | 82.3 | Confident | 40 Ų | 40 | 64.7 Ų | 64.7 | 19% | 0.185 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.1 | -3.5 | -173.7 | -56.5 | 126 | 0 | 0 | 0 | 113.9 | F899 C902 F920 C921 I926 V929 H930 | F899-H924 HydrophobicContact CB-CB 3.83Å; F899-H924 AromaticContact CD1-CD2 3.61Å; F899-H924 AromaticContact CD1-CE1 3.93Å; F899-H924 AromaticContact CD1-CG 3.8Å; F899-H924 AromaticContact CD1-ND1 3.98Å; F899-H924 AromaticContact CD1-NE2 3.73Å; F899-H924 AromaticContact CE1-CD2 3.95Å; F899-H924 HydrophobicContact CG-CB 4.04Å; F899-H924 AromaticContact CG-CG 3.82Å; C902-H924 PolarHBondContact SG-CE1 3.41Å; C902-H924 PolarHBondContact SG-ND1 3.18Å; C902-H924 VanDerWaalsContact SG-ND1 3.43Å; F920-H924 HydrophobicContact CB-CB 4.32Å; F920-H924 HydrophobicContact CD1-CB 4.27Å; C921-H924 PolarHBondContact O-N 3.08Å; C921-H924 PolarHBondContact SG-ND1 2.89Å; H924-I926 PolarHBondContact O-N 3.01Å; H924-V929 HydrophobicContact CB-CG1 4.48Å; H924-H930 PolarHBondContact O-ND1 2.91Å |
| 925 | H | 82.7 | Confident | 82.2 | Confident | 61 Ų | 61 | 64.8 Ų | 64.8 | 28% | 0.282 | 35% | 0.346 | S | S | . | . | trans | -65.2 | -19.3 | 179.1 | 85 | -78.3 | 0 | 0 | 0 | 114.4 | Q911 F920 C921 L922 H930 | Q911-H925 HydrophobicContact CB-CB 3.96Å; Q911-H925 PolarHBondContact OE1-CD2 3.21Å; Q911-H925 PolarHBondContact OE1-NE2 2.98Å; F920-H925 HydrophobicContact CB-CB 4.1Å; C921-H925 PolarHBondContact O-N 2.86Å; L922-H925 PolarHBondContact O-CE1 3.4Å; L922-H925 PolarHBondContact O-ND1 3.47Å; H925-H930 PolarHBondContact O-CE1 3.49Å; H925-H930 VanDerWaalsContact O-CE1 3.31Å | ||
| 926 | I | 83.9 | Confident | 82 | Confident | 72 Ų | 72 | 62.9 Ų | 62.9 | 37% | 0.369 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -63.1 | 123.2 | 179.9 | -63 | 175.2 | 0 | 0 | 0 | 109 | H924 E928 V929 H930 | H924-I926 PolarHBondContact O-N 3.01Å; I926-E928 VanDerWaalsContact C-N 3.25Å; I926-E928 HydrophobicContact CG2-CB 4.23Å; I926-E928 VanDerWaalsContact CG2-OE2 3.25Å; I926-E928 WeakPolarHBondContact CG2-OE2 3.42Å; I926-E928 PolarHBondContact O-N 3.49Å; I926-E928 VanDerWaalsContact O-N 3.15Å; I926-V929 HydrophobicContact CB-CB 4.45Å; I926-V929 HydrophobicContact CB-CG2 3.85Å; I926-V929 HydrophobicContact CG2-CG2 4.08Å; I926-V929 WeakPolarHBondContact O-CB 3.24Å; I926-V929 PolarHBondContact O-N 3.36Å; I926-H930 PolarHBondContact O-CE1 3.43Å; I926-H930 PolarHBondContact O-ND1 2.99Å; I926-H930 VanDerWaalsContact O-ND1 3.14Å |
| 927 | P | 82.1 | Confident | 81.7 | Confident | 27 Ų | 27 | 65.3 Ų | 65.3 | 18% | 0.175 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -38.4 | -175.2 | -30.3 | 37 | 0 | 0 | 0 | 114.6 | Y915 V929 G931 C932 G933 A936 | Y915-P927 HydrophobicContact CD2-CB 4.15Å; Y915-P927 HydrophobicContact CD2-CG 3.98Å; Y915-P927 HydrophobicContact CE2-CB 4.31Å; Y915-P927 HydrophobicContact CE2-CG 3.85Å; P927-V929 VanDerWaalsContact C-N 3.27Å; P927-V929 PolarHBondContact O-N 3.18Å; P927-G931 PolarHBondContact O-N 3.32Å; P927-C932 HydrophobicContact CB-CB 3.95Å; P927-C932 CarbonylContact O-C 3.42Å; P927-C932 WeakPolarHBondContact O-CA 3.42Å; P927-C932 PolarHBondContact O-N 3.11Å; P927-G933 PolarHBondContact O-N 3.26Å; P927-A936 HydrophobicContact CB-CB 3.81Å; P927-A936 HydrophobicContact CG-CB 4.12Å |
| 928 | E | 83.6 | Confident | 81.3 | Confident | 101 Ų | 101 | 62.9 Ų | 62.9 | 47% | 0.472 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -33.6 | 177.2 | -70.1 | 72.5 | -165.7 | 0 | 0 | 112.8 | I926 | I926-E928 VanDerWaalsContact C-N 3.25Å; I926-E928 HydrophobicContact CG2-CB 4.23Å; I926-E928 VanDerWaalsContact CG2-OE2 3.25Å; I926-E928 WeakPolarHBondContact CG2-OE2 3.42Å; I926-E928 PolarHBondContact O-N 3.49Å; I926-E928 VanDerWaalsContact O-N 3.15Å |
| 929 | V | 81.9 | Confident | 81.1 | Confident | 63 Ų | 63 | 59.2 Ų | 59.2 | 38% | 0.382 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -38.3 | -174 | 177.7 | 0 | 0 | 0 | 0 | 111.5 | F899 H924 I926 P927 | F899-V929 HydrophobicContact CE2-CG1 4.16Å; F899-V929 VanDerWaalsContact CE2-O 3.25Å; F899-V929 WeakPolarHBondContact CE2-O 3.47Å; F899-V929 HydrophobicContact CZ-CG1 4.28Å; H924-V929 HydrophobicContact CB-CG1 4.48Å; I926-V929 HydrophobicContact CB-CB 4.45Å; I926-V929 HydrophobicContact CB-CG2 3.85Å; I926-V929 HydrophobicContact CG2-CG2 4.08Å; I926-V929 WeakPolarHBondContact O-CB 3.24Å; I926-V929 PolarHBondContact O-N 3.36Å; P927-V929 VanDerWaalsContact C-N 3.27Å; P927-V929 PolarHBondContact O-N 3.18Å |
| 930 | H | 77.3 | Confident | 80.3 | Confident | 31 Ų | 31 | 57.5 Ų | 57.5 | 14% | 0.144 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | 21.2 | -178.2 | 65.5 | -98.6 | 0 | 0 | 0 | 113.9 | F899 C913 F920 H924 H925 I926 | F899-H930 HydrophobicContact CD2-CB 3.91Å; F899-H930 HydrophobicContact CE2-CB 4.35Å; C913-H930 WeakPolarHBondContact CB-NE2 3.41Å; C913-H930 PolarHBondContact SG-NE2 3.01Å; F920-H930 HydrophobicContact CD1-CB 4.33Å; F920-H930 AromaticContact CD2-CE1 3.96Å; F920-H930 AromaticContact CD2-ND1 3.96Å; F920-H930 HydrophobicContact CE1-CB 3.64Å; F920-H930 AromaticContact CE1-CG 3.78Å; F920-H930 HydrophobicContact CE2-CB 4.48Å; F920-H930 AromaticContact CE2-CD2 3.64Å; F920-H930 AromaticContact CE2-CE1 3.78Å; F920-H930 AromaticContact CE2-CG 3.74Å; F920-H930 AromaticContact CE2-ND1 3.83Å; F920-H930 AromaticContact CE2-NE2 3.7Å; F920-H930 HydrophobicContact CZ-CB 3.74Å; F920-H930 AromaticContact CZ-CD2 3.53Å; F920-H930 AromaticContact CZ-CG 3.45Å; F920-H930 VanDerWaalsContact CZ-CG 3.45Å; F920-H930 AromaticContact CZ-ND1 3.95Å; H924-H930 PolarHBondContact O-ND1 2.91Å; H925-H930 PolarHBondContact O-CE1 3.49Å; H925-H930 VanDerWaalsContact O-CE1 3.31Å; I926-H930 PolarHBondContact O-CE1 3.43Å; I926-H930 PolarHBondContact O-ND1 2.99Å; I926-H930 VanDerWaalsContact O-ND1 3.14Å |
| 931 | G | 79.9 | Confident | 79.5 | Confident | 70 Ų | 70 | 66.2 Ų | 66.2 | 72% | 0.722 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.8 | 9.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | P927 | P927-G931 PolarHBondContact O-N 3.32Š|
| 932 | C | 85.6 | Confident | 78.4 | Confident | 11 Ų | 11 | 72.1 Ų | 72.1 | 7% | 0.074 | 39% | 0.388 | C | S | . | . | trans | -93.4 | 0.3 | 173 | -74.3 | 0 | 0 | 0 | 0 | 114.2 | Y915 C916 P927 D934 K935 A936 | Y915-C932 HydrophobicContact CD2-CB 4.36Å; Y915-C932 HydrophobicContact CG-CB 4.49Å; C916-C932 VanDerWaalsContact SG-SG 3.69Å; P927-C932 HydrophobicContact CB-CB 3.95Å; P927-C932 CarbonylContact O-C 3.42Å; P927-C932 WeakPolarHBondContact O-CA 3.42Å; P927-C932 PolarHBondContact O-N 3.11Å; C932-D934 VanDerWaalsContact C-N 3.28Å; C932-D934 PolarHBondContact O-N 3.33Å; C932-K935 WeakPolarHBondContact O-CB 3.4Å; C932-K935 PolarHBondContact O-N 3.01Å; C932-K935 VanDerWaalsContact O-N 3.08Å; C932-A936 PolarHBondContact O-N 3.25Å; C932-A936 VanDerWaalsContact O-N 3.08Å | ||
| 933 | G | 85.4 | Confident | 77.3 | Confident | 6 Ų | 6 | 74.5 Ų | 74.5 | 6% | 0.062 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -54.9 | -35.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115 | P927 A936 K937 | P927-G933 PolarHBondContact O-N 3.26Å; G933-A936 PolarHBondContact O-N 3.47Å; G933-K937 WeakPolarHBondContact O-CB 3.39Å; G933-K937 VanDerWaalsContact O-CG 3.26Å; G933-K937 WeakPolarHBondContact O-CG 3.38Å; G933-K937 PolarHBondContact O-N 3.22Å |
| 934 | D | 76.8 | Confident | 76.3 | Confident | 120 Ų | 120 | 74.5 Ų | 74.5 | 64% | 0.642 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -77 | -27.7 | -179.6 | -63.7 | -31.2 | 0 | 0 | 0 | 113.2 | C932 K937 S938 | C932-D934 VanDerWaalsContact C-N 3.28Å; C932-D934 PolarHBondContact O-N 3.33Å; D934-K937 IonicContact OD1-NZ 2.72Å; D934-K937 PolarHBondContact OD1-NZ 2.86Å; D934-S938 WeakPolarHBondContact O-CB 3.41Å; D934-S938 PolarHBondContact O-N 2.88Å; D934-S938 PolarHBondContact O-OG 2.8Å |
| 935 | K | 79.3 | Confident | 75.1 | Confident | 121 Ų | 121 | 77.9 Ų | 77.9 | 53% | 0.526 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -68.6 | -39.2 | 167.3 | -67.8 | -178.6 | 176.9 | -178 | 0 | 111.3 | Y915 C932 S938 H939 | Y915-K935 HydrophobicContact CD1-CB 3.98Å; Y915-K935 HydrophobicContact CG-CB 4.17Å; Y915-K935 PolarHBondContact O-NZ 3.26Å; C932-K935 WeakPolarHBondContact O-CB 3.4Å; C932-K935 PolarHBondContact O-N 3.01Å; C932-K935 VanDerWaalsContact O-N 3.08Å; K935-S938 PolarHBondContact O-OG 2.72Å; K935-H939 WeakPolarHBondContact O-CB 3.41Å; K935-H939 PolarHBondContact O-N 2.74Å |
| 936 | A | 78.9 | Confident | 73.5 | Confident | 13 Ų | 13 | 83.7 Ų | 83.7 | 11% | 0.107 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -64.3 | -44.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y915 P927 C932 G933 H939 A940 | Y915-A936 HydrophobicContact CD2-CB 4.25Å; Y915-A936 HydrophobicContact CE2-CB 3.61Å; P927-A936 HydrophobicContact CB-CB 3.81Å; P927-A936 HydrophobicContact CG-CB 4.12Å; C932-A936 PolarHBondContact O-N 3.25Å; C932-A936 VanDerWaalsContact O-N 3.08Å; G933-A936 PolarHBondContact O-N 3.47Å; A936-H939 PolarHBondContact O-N 3.45Å; A936-A940 WeakPolarHBondContact O-CB 3.34Å; A936-A940 PolarHBondContact O-N 3.42Å |
| 937 | K | 75.6 | Confident | 72.1 | Confident | 95 Ų | 95 | 85.5 Ų | 85.5 | 41% | 0.413 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.2 | -39.2 | 176.6 | -71.1 | 167.3 | -163.7 | 160.3 | 0 | 113.1 | G933 D934 R941 | G933-K937 WeakPolarHBondContact O-CB 3.39Å; G933-K937 VanDerWaalsContact O-CG 3.26Å; G933-K937 WeakPolarHBondContact O-CG 3.38Å; G933-K937 PolarHBondContact O-N 3.22Å; D934-K937 IonicContact OD1-NZ 2.72Å; D934-K937 PolarHBondContact OD1-NZ 2.86Å; K937-R941 WeakPolarHBondContact O-CB 3.4Å; K937-R941 VanDerWaalsContact O-CG 3.26Å; K937-R941 WeakPolarHBondContact O-CG 3.44Å; K937-R941 PolarHBondContact O-N 3.27Å |
| 938 | S | 73.3 | Confident | 70.7 | Confident | 67 Ų | 67 | 86.4 Ų | 86.4 | 47% | 0.469 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -68.2 | -42.6 | 177.4 | 66.1 | 0 | 0 | 0 | 0 | 111.5 | D934 K935 R941 M942 | D934-S938 WeakPolarHBondContact O-CB 3.41Å; D934-S938 PolarHBondContact O-N 2.88Å; D934-S938 PolarHBondContact O-OG 2.8Å; K935-S938 PolarHBondContact O-OG 2.72Å; S938-R941 PolarHBondContact O-N 2.87Å; S938-M942 WeakPolarHBondContact O-CB 3.45Å; S938-M942 PolarHBondContact O-N 2.85Å |
| 939 | H | 76 | Confident | 69 | Low | 79 Ų | 79 | 86.1 Ų | 86.1 | 37% | 0.366 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.8 | -44.2 | 173.8 | -174.8 | -114.9 | 0 | 0 | 0 | 112.2 | Y915 K935 A936 M942 R943 | Y915-H939 HydrophobicContact CE1-CB 4.15Å; Y915-H939 PolarHBondContact OH-ND1 2.84Å; K935-H939 WeakPolarHBondContact O-CB 3.41Å; K935-H939 PolarHBondContact O-N 2.74Å; A936-H939 PolarHBondContact O-N 3.45Å; H939-M942 PolarHBondContact O-N 3.02Å; H939-R943 PolarHBondContact O-N 3.13Å |
| 940 | A | 67.9 | Low | 67.3 | Low | 46 Ų | 46 | 86.5 Ų | 86.5 | 38% | 0.38 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.9 | -42.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A936 M942 R943 I944 | A936-A940 WeakPolarHBondContact O-CB 3.34Å; A936-A940 PolarHBondContact O-N 3.42Å; A940-M942 VanDerWaalsContact C-N 3.31Å; A940-M942 PolarHBondContact O-N 3.36Å; A940-R943 PolarHBondContact O-N 3.25Å; A940-I944 VanDerWaalsContact O-CG1 3.3Å; A940-I944 WeakPolarHBondContact O-CG1 3.38Å; A940-I944 PolarHBondContact O-N 3.48Å |
| 941 | R | 69.3 | Low | 65.9 | Low | 189 Ų | 189 | 94.1 Ų | 94.1 | 71% | 0.713 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.5 | -39.6 | 174.2 | -74.2 | 170.8 | -177.7 | -175.7 | 1.6 | 111.9 | K937 S938 I944 S945 | K937-R941 WeakPolarHBondContact O-CB 3.4Å; K937-R941 VanDerWaalsContact O-CG 3.26Å; K937-R941 WeakPolarHBondContact O-CG 3.44Å; K937-R941 PolarHBondContact O-N 3.27Å; S938-R941 PolarHBondContact O-N 2.87Å; R941-I944 PolarHBondContact O-N 3.46Å; R941-S945 PolarHBondContact O-N 2.86Å |
| 942 | M | 62.5 | Low | 63.9 | Low | 136 Ų | 136 | 96.4 Ų | 96.4 | 67% | 0.67 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.3 | -41.2 | 178.2 | -164.7 | 177.4 | -72.4 | 0 | 0 | 111.7 | S938 H939 A940 S945 K946 | S938-M942 WeakPolarHBondContact O-CB 3.45Å; S938-M942 PolarHBondContact O-N 2.85Å; H939-M942 PolarHBondContact O-N 3.02Å; A940-M942 VanDerWaalsContact C-N 3.31Å; A940-M942 PolarHBondContact O-N 3.36Å; M942-S945 PolarHBondContact O-N 2.88Å; M942-K946 WeakPolarHBondContact O-CB 3.42Å; M942-K946 PolarHBondContact O-N 2.94Å |
| 943 | R | 57.6 | Low | 62.2 | Low | 140 Ų | 140 | 99.8 Ų | 99.8 | 53% | 0.528 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61 | -49.4 | 170.5 | -91 | -163.5 | 169.5 | 149.9 | 2.9 | 112.9 | H939 A940 S945 K946 E947 | H939-R943 PolarHBondContact O-N 3.13Å; A940-R943 PolarHBondContact O-N 3.25Å; R943-S945 PolarHBondContact O-N 2.95Å; R943-K946 WeakPolarHBondContact O-CA 3.2Å; R943-K946 PolarHBondContact O-N 3.23Å; R943-E947 WeakPolarHBondContact CD-OE1 3.42Å; R943-E947 WeakPolarHBondContact CG-OE1 3.36Å; R943-E947 IonicContact NE-OE1 2.74Å; R943-E947 PolarHBondContact NE-OE1 2.98Å; R943-E947 WeakPolarHBondContact O-CB 3.41Å; R943-E947 PolarHBondContact O-N 3.18Å |
| 944 | I | 58.2 | Low | 60.2 | Low | 77 Ų | 77 | 102.1 Ų | 102.1 | 40% | 0.395 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -58.6 | -35.1 | 179.8 | -67.3 | 163.6 | 0 | 0 | 0 | 111.5 | A940 R941 K946 G948 L950 | A940-I944 VanDerWaalsContact O-CG1 3.3Å; A940-I944 WeakPolarHBondContact O-CG1 3.38Å; A940-I944 PolarHBondContact O-N 3.48Å; R941-I944 PolarHBondContact O-N 3.46Å; I944-K946 VanDerWaalsContact C-N 3.3Å; I944-K946 PolarHBondContact O-N 3.25Å; I944-G948 PolarHBondContact O-N 2.95Å; I944-L950 HydrophobicContact CG2-CD2 3.9Å |
| 945 | S | 59.8 | Low | 58.6 | Low | 110 Ų | 110 | 99.4 Ų | 99.4 | 77% | 0.769 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -70.2 | -20.9 | 174.3 | -171.2 | 0 | 0 | 0 | 0 | 114.5 | R941 M942 R943 | R941-S945 PolarHBondContact O-N 2.86Å; M942-S945 PolarHBondContact O-N 2.88Å; R943-S945 PolarHBondContact O-N 2.95Å |
| 946 | K | 49.5 | Very low | 56.8 | Low | 184 Ų | 184 | 103.6 Ų | 103.6 | 80% | 0.8 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -105.6 | -31 | -172.7 | -152.7 | 179.6 | -173.7 | -171.1 | 0 | 112.7 | M942 R943 I944 | M942-K946 WeakPolarHBondContact O-CB 3.42Å; M942-K946 PolarHBondContact O-N 2.94Å; R943-K946 WeakPolarHBondContact O-CA 3.2Å; R943-K946 PolarHBondContact O-N 3.23Å; I944-K946 VanDerWaalsContact C-N 3.3Å; I944-K946 PolarHBondContact O-N 3.25Å |
| 947 | E | 54.8 | Low | 55.1 | Low | 109 Ų | 109 | 110.2 Ų | 110.2 | 51% | 0.509 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -108.5 | -13.5 | -173.6 | -65.4 | 162.4 | -167.7 | 0 | 0 | 112.7 | R943 V949 | R943-E947 WeakPolarHBondContact CD-OE1 3.42Å; R943-E947 WeakPolarHBondContact CG-OE1 3.36Å; R943-E947 IonicContact NE-OE1 2.74Å; R943-E947 PolarHBondContact NE-OE1 2.98Å; R943-E947 WeakPolarHBondContact O-CB 3.41Å; R943-E947 PolarHBondContact O-N 3.18Å; E947-V949 PolarHBondContact O-N 3.31Å |
| 948 | G | 51.6 | Low | 53.6 | Low | 47 Ų | 47 | 113.4 Ų | 113.4 | 49% | 0.485 | 62% | 0.622 | S | S | . | * | trans | 72.1 | -16.3 | 169.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | I944 | I944-G948 PolarHBondContact O-N 2.95Š| ||
| 949 | V | 48.2 | Very low | 52.3 | Low | 95 Ų | 95 | 119.8 Ų | 119.8 | 58% | 0.576 | 64% | 0.641 | S | S | * | * | trans | -84.6 | 140 | -179.9 | -179.3 | 0 | 0 | 0 | 0 | 111.5 | E947 | E947-V949 PolarHBondContact O-N 3.31Š| ||
| 950 | L | 45.8 | Very low | 51 | Low | 71 Ų | 71 | 121.5 Ų | 121.5 | 37% | 0.372 | 66% | 0.662 | S | S | . | * | trans | -110.1 | 126.2 | 175.6 | -73.3 | 166.2 | 0 | 0 | 0 | 109.8 | I944 S954 K957 | I944-L950 HydrophobicContact CG2-CD2 3.9Å; L950-S954 WeakPolarHBondContact CD2-OG 3.33Å; L950-K957 HydrophobicContact CD1-CD 4.26Å; L950-K957 HydrophobicContact CD1-CG 3.93Å | ||
| 951 | Y | 47.3 | Very low | 50.2 | Low | 191 Ų | 191 | 124.7 Ų | 124.7 | 75% | 0.749 | 67% | 0.672 | S | S | * | * | trans | -81 | 155.2 | 173.8 | -74.9 | -89.3 | 0 | 0 | 0 | 111.7 | G953 S954 | Y951-G953 PolarHBondContact O-N 2.85Å; Y951-S954 PolarHBondContact O-N 3.17Å; Y951-S954 PolarHBondContact O-OG 3.21Å | ||
| 952 | A | 38.4 | Very low | 49.8 | Very low | 117 Ų | 117 | 119.4 Ų | 119.4 | 97% | 0.967 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | 110.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 953 | G | 49.5 | Very low | 49.7 | Very low | 83 Ų | 83 | 117.5 Ų | 117.5 | 86% | 0.856 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 137.2 | -27.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y951 | Y951-G953 PolarHBondContact O-N 2.85Š|
| 954 | S | 43.6 | Very low | 50.1 | Low | 55 Ų | 55 | 116.8 Ų | 116.8 | 39% | 0.385 | 66% | 0.663 | S | S | . | * | S | Bend | trans | -76.5 | 130.1 | 168.8 | 51.7 | 0 | 0 | 0 | 0 | 111 | L950 Y951 | L950-S954 WeakPolarHBondContact CD2-OG 3.33Å; Y951-S954 PolarHBondContact O-N 3.17Å; Y951-S954 PolarHBondContact O-OG 3.21Å |
| 955 | G | 44.3 | Very low | 50.3 | Low | 62 Ų | 62 | 119.2 Ų | 119.2 | 64% | 0.639 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 161.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | K957 | G955-K957 PolarHBondContact O-N 2.84Š|
| 956 | K | 40.1 | Very low | 50.4 | Low | 209 Ų | 209 | 120.3 Ų | 120.3 | 91% | 0.909 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 136.6 | -178.2 | -68 | -179.1 | 178.7 | 176.9 | 0 | 111 | D958 | K956-D958 PolarHBondContact O-N 3.29Š|
| 957 | K | 44.5 | Very low | 51.5 | Low | 153 Ų | 153 | 115.1 Ų | 115.1 | 67% | 0.665 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 126.9 | 165.9 | -85.9 | 177.9 | 174.6 | 171.6 | 0 | 109.2 | L950 G955 K959 | L950-K957 HydrophobicContact CD1-CD 4.26Å; L950-K957 HydrophobicContact CD1-CG 3.93Å; G955-K957 PolarHBondContact O-N 2.84Å; K957-K959 PolarHBondContact O-N 3.27Å |
| 958 | D | 42.8 | Very low | 52.6 | Low | 161 Ų | 161 | 116.5 Ų | 116.5 | 86% | 0.861 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 131.5 | 160.6 | -82.5 | -43.4 | 0 | 0 | 0 | 108.6 | K956 S960 | K956-D958 PolarHBondContact O-N 3.29Å; D958-S960 PolarHBondContact O-N 3.45Å |
| 959 | K | 46.4 | Very low | 53.5 | Low | 202 Ų | 202 | 118.6 Ų | 118.6 | 88% | 0.878 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 127.7 | 173.9 | -72.6 | -174.9 | 174.6 | -173.8 | 0 | 107.9 | K957 L961 | K957-K959 PolarHBondContact O-N 3.27Å; K959-L961 PolarHBondContact O-N 3.07Å; K959-L961 VanDerWaalsContact O-N 3.14Å |
| 960 | S | 48.3 | Very low | 54.5 | Low | 115 Ų | 115 | 119.2 Ų | 119.2 | 80% | 0.804 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 122.3 | 173.8 | 51.8 | 0 | 0 | 0 | 0 | 109.7 | D958 D962 | D958-S960 PolarHBondContact O-N 3.45Å; S960-D962 PolarHBondContact O-N 3.15Å |
| 961 | L | 51.3 | Low | 56.1 | Low | 112 Ų | 112 | 124.8 Ų | 124.8 | 59% | 0.586 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 130.2 | 177.3 | -86.3 | 159.3 | 0 | 0 | 0 | 109.9 | K959 | K959-L961 PolarHBondContact O-N 3.07Å; K959-L961 VanDerWaalsContact O-N 3.14Å |
| 962 | D | 61.2 | Low | 57.3 | Low | 79 Ų | 79 | 121.2 Ų | 121.2 | 42% | 0.422 | 65% | 0.647 | S | S | . | * | trans | -41 | 126.1 | 172.5 | 176 | -18.3 | 0 | 0 | 0 | 110.2 | S960 N964 K965 K966 | S960-D962 PolarHBondContact O-N 3.15Å; D962-N964 PolarHBondContact O-N 2.89Å; D962-N964 WeakPolarHBondContact OD1-CB 3.48Å; D962-N964 PolarHBondContact OD1-N 2.86Å; D962-K965 HydrophobicContact CB-CB 4.27Å; D962-K965 HydrophobicContact CB-CG 4.49Å; D962-K965 WeakPolarHBondContact O-CA 3.46Å; D962-K965 WeakPolarHBondContact O-CB 3.43Å; D962-K965 PolarHBondContact O-N 3.08Å; D962-K966 PolarHBondContact O-N 2.97Å | ||
| 963 | P | 60.3 | Low | 58.9 | Low | 96 Ų | 96 | 120.5 Ų | 120.5 | 62% | 0.623 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -48.2 | -37.9 | -179.2 | -29.7 | 35.6 | 0 | 0 | 0 | 113.5 | K966 V967 | P963-K966 WeakPolarHBondContact O-CB 3.41Å; P963-K966 PolarHBondContact O-N 2.94Å; P963-V967 WeakPolarHBondContact O-CG2 3.41Å; P963-V967 PolarHBondContact O-N 3.07Å |
| 964 | N | 65.5 | Low | 60.1 | Low | 125 Ų | 125 | 120.5 Ų | 120.5 | 67% | 0.668 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -68.9 | -38 | 179.6 | -66.3 | -40.9 | 0 | 0 | 0 | 112.1 | D962 Y968 | D962-N964 PolarHBondContact O-N 2.89Å; D962-N964 WeakPolarHBondContact OD1-CB 3.48Å; D962-N964 PolarHBondContact OD1-N 2.86Å; N964-Y968 WeakPolarHBondContact O-CB 3.38Å; N964-Y968 PolarHBondContact O-N 3.15Å |
| 965 | K | 63.7 | Low | 61.7 | Low | 128 Ų | 128 | 121 Ų | 121 | 56% | 0.557 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -68.8 | -36.6 | 171.6 | -80.7 | -178.5 | 174.7 | 173.2 | 0 | 112 | D962 Y968 L969 | D962-K965 HydrophobicContact CB-CB 4.27Å; D962-K965 HydrophobicContact CB-CG 4.49Å; D962-K965 WeakPolarHBondContact O-CA 3.46Å; D962-K965 WeakPolarHBondContact O-CB 3.43Å; D962-K965 PolarHBondContact O-N 3.08Å; K965-Y968 PolarHBondContact O-N 3.31Å; K965-L969 WeakPolarHBondContact O-CB 3.47Å; K965-L969 VanDerWaalsContact O-CG 3.28Å; K965-L969 WeakPolarHBondContact O-CG 3.24Å; K965-L969 PolarHBondContact O-N 3.38Å |
| 966 | K | 62.3 | Low | 63 | Low | 132 Ų | 132 | 125 Ų | 125 | 57% | 0.574 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -62.7 | -48.4 | 175.9 | -169 | 179.8 | 178.4 | -175 | 0 | 110.9 | D962 P963 Y968 L969 Q970 | D962-K966 PolarHBondContact O-N 2.97Å; P963-K966 WeakPolarHBondContact O-CB 3.41Å; P963-K966 PolarHBondContact O-N 2.94Å; K966-Y968 PolarHBondContact O-N 2.73Å; K966-L969 PolarHBondContact O-N 3.27Å; K966-Q970 WeakPolarHBondContact O-CB 3.1Å; K966-Q970 PolarHBondContact O-N 3.23Å |
| 967 | V | 72.3 | Confident | 64.6 | Low | 76 Ų | 76 | 119.2 Ų | 119.2 | 46% | 0.461 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -63 | -41.2 | 176.3 | 173.6 | 0 | 0 | 0 | 0 | 111.9 | P963 Q970 R971 | P963-V967 WeakPolarHBondContact O-CG2 3.41Å; P963-V967 PolarHBondContact O-N 3.07Å; V967-Q970 PolarHBondContact O-N 3.05Å; V967-R971 WeakPolarHBondContact O-CG 3.34Å; V967-R971 PolarHBondContact O-N 2.81Å |
| 968 | Y | 77.8 | Confident | 66 | Low | 138 Ų | 138 | 119.5 Ų | 119.5 | 54% | 0.541 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -62.2 | -46.2 | 175.2 | 176.1 | -95.9 | 0 | 0 | 0 | 112.5 | N964 K965 K966 Q970 R971 K972 | N964-Y968 WeakPolarHBondContact O-CB 3.38Å; N964-Y968 PolarHBondContact O-N 3.15Å; K965-Y968 PolarHBondContact O-N 3.31Å; K966-Y968 PolarHBondContact O-N 2.73Å; Y968-Q970 VanDerWaalsContact C-N 3.31Å; Y968-Q970 PolarHBondContact O-N 2.97Å; Y968-R971 PolarHBondContact O-N 3.36Å; Y968-K972 HydrophobicContact CE1-CD 3.97Å; Y968-K972 WeakPolarHBondContact O-CB 3.26Å; Y968-K972 PolarHBondContact O-N 3.17Å; Y968-K972 PolarHBondContact OH-NZ 2.96Å; Y968-K972 VanDerWaalsContact OH-NZ 3.16Å |
| 969 | L | 70 | Confident | 67.4 | Low | 91 Ų | 91 | 115.7 Ų | 115.7 | 48% | 0.476 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64 | -37.2 | 177.1 | -73.8 | 169.5 | 0 | 0 | 0 | 111.9 | K965 K966 K972 L973 | K965-L969 WeakPolarHBondContact O-CB 3.47Å; K965-L969 VanDerWaalsContact O-CG 3.28Å; K965-L969 WeakPolarHBondContact O-CG 3.24Å; K965-L969 PolarHBondContact O-N 3.38Å; K966-L969 PolarHBondContact O-N 3.27Å; L969-K972 PolarHBondContact O-N 2.88Å; L969-L973 WeakPolarHBondContact O-CB 3.41Å; L969-L973 PolarHBondContact O-N 3.33Å |
| 970 | Q | 70.1 | Confident | 68.2 | Low | 108 Ų | 108 | 110.7 Ų | 110.7 | 51% | 0.505 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -68.6 | -44.3 | 178.5 | -161 | 149.9 | -5.4 | 0 | 0 | 111.7 | K966 V967 Y968 K972 L973 D974 | K966-Q970 WeakPolarHBondContact O-CB 3.1Å; K966-Q970 PolarHBondContact O-N 3.23Å; V967-Q970 PolarHBondContact O-N 3.05Å; Y968-Q970 VanDerWaalsContact C-N 3.31Å; Y968-Q970 PolarHBondContact O-N 2.97Å; Q970-K972 VanDerWaalsContact C-N 3.27Å; Q970-K972 PolarHBondContact O-N 3.25Å; Q970-L973 WeakPolarHBondContact O-CB 3.34Å; Q970-L973 PolarHBondContact O-N 3.35Å; Q970-L973 VanDerWaalsContact O-N 3.14Å; Q970-D974 PolarHBondContact O-N 3.05Å |
| 971 | R | 78.6 | Confident | 69 | Low | 187 Ų | 187 | 107.9 Ų | 107.9 | 71% | 0.706 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -58.1 | -37.4 | 170 | -73.7 | -179.8 | 176.2 | 178.7 | -0.5 | 112.8 | V967 Y968 D974 S975 | V967-R971 WeakPolarHBondContact O-CG 3.34Å; V967-R971 PolarHBondContact O-N 2.81Å; Y968-R971 PolarHBondContact O-N 3.36Å; R971-D974 PolarHBondContact O-N 3.29Å; R971-S975 PolarHBondContact O-N 3.23Å |
| 972 | K | 73.1 | Confident | 69.5 | Low | 116 Ų | 116 | 106.1 Ų | 106.1 | 50% | 0.504 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -73 | -31.4 | 178.5 | -156.6 | 168.2 | -169 | 167.3 | 0 | 112.4 | Y968 L969 Q970 K976 | Y968-K972 HydrophobicContact CE1-CD 3.97Å; Y968-K972 WeakPolarHBondContact O-CB 3.26Å; Y968-K972 PolarHBondContact O-N 3.17Å; Y968-K972 PolarHBondContact OH-NZ 2.96Å; Y968-K972 VanDerWaalsContact OH-NZ 3.16Å; L969-K972 PolarHBondContact O-N 2.88Å; Q970-K972 VanDerWaalsContact C-N 3.27Å; Q970-K972 PolarHBondContact O-N 3.25Å; K972-K976 PolarHBondContact O-N 3.2Å; K972-K976 VanDerWaalsContact O-N 3.14Å |
| 973 | L | 70.9 | Confident | 69.5 | Low | 103 Ų | 103 | 109.5 Ų | 109.5 | 54% | 0.539 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.4 | -47.5 | 170.6 | -172.5 | 72 | 0 | 0 | 0 | 110.8 | L969 Q970 S975 K976 L977 | L969-L973 WeakPolarHBondContact O-CB 3.41Å; L969-L973 PolarHBondContact O-N 3.33Å; Q970-L973 WeakPolarHBondContact O-CB 3.34Å; Q970-L973 PolarHBondContact O-N 3.35Å; Q970-L973 VanDerWaalsContact O-N 3.14Å; L973-S975 VanDerWaalsContact C-N 3.31Å; L973-S975 PolarHBondContact O-N 2.93Å; L973-K976 CarbonylContact O-C 3.58Å; L973-K976 PolarHBondContact O-N 3.22Å; L973-K976 VanDerWaalsContact O-N 3.13Å; L973-L977 HydrophobicContact CG-CD1 4.09Å; L973-L977 WeakPolarHBondContact O-CG 3.38Å; L973-L977 PolarHBondContact O-N 3.13Å |
| 974 | D | 75.9 | Confident | 69.3 | Low | 83 Ų | 83 | 115.1 Ų | 115.1 | 44% | 0.444 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.8 | -36.8 | 178.2 | -65.9 | -27.4 | 0 | 0 | 0 | 112.2 | Q970 R971 L977 K978 | Q970-D974 PolarHBondContact O-N 3.05Å; R971-D974 PolarHBondContact O-N 3.29Å; D974-L977 PolarHBondContact O-N 3.11Å; D974-K978 WeakPolarHBondContact O-CG 3.37Å; D974-K978 PolarHBondContact O-N 2.84Å |
| 975 | S | 75.6 | Confident | 68.7 | Low | 64 Ų | 64 | 118.3 Ų | 118.3 | 45% | 0.448 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -60.3 | -51.2 | 170.4 | -165.1 | 0 | 0 | 0 | 0 | 111.2 | R971 L973 L977 K978 D979 | R971-S975 PolarHBondContact O-N 3.23Å; L973-S975 VanDerWaalsContact C-N 3.31Å; L973-S975 PolarHBondContact O-N 2.93Å; S975-L977 VanDerWaalsContact C-N 3.29Å; S975-L977 PolarHBondContact O-N 3.5Å; S975-K978 WeakPolarHBondContact O-CB 3.45Å; S975-K978 PolarHBondContact O-N 2.83Å; S975-K978 VanDerWaalsContact O-N 3.13Å; S975-D979 VanDerWaalsContact O-CG 3.24Å; S975-D979 PolarHBondContact O-N 3.24Å |
| 976 | K | 72.1 | Confident | 68.1 | Low | 147 Ų | 147 | 116.8 Ų | 116.8 | 64% | 0.639 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63.3 | -32.2 | 177.3 | -92 | -159.4 | 168.9 | -164.7 | 0 | 113.6 | K972 L973 D979 M980 | K972-K976 PolarHBondContact O-N 3.2Å; K972-K976 VanDerWaalsContact O-N 3.14Å; L973-K976 CarbonylContact O-C 3.58Å; L973-K976 PolarHBondContact O-N 3.22Å; L973-K976 VanDerWaalsContact O-N 3.13Å; K976-D979 PolarHBondContact O-N 3.27Å; K976-M980 WeakPolarHBondContact O-CG 3.23Å; K976-M980 PolarHBondContact O-N 3.18Å |
| 977 | L | 73.2 | Confident | 67.6 | Low | 88 Ų | 88 | 120.1 Ų | 120.1 | 46% | 0.461 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -70.2 | -36.3 | 174.8 | -73.8 | 169.9 | 0 | 0 | 0 | 111.3 | L973 D974 S975 M980 A981 | L973-L977 HydrophobicContact CG-CD1 4.09Å; L973-L977 WeakPolarHBondContact O-CG 3.38Å; L973-L977 PolarHBondContact O-N 3.13Å; D974-L977 PolarHBondContact O-N 3.11Å; S975-L977 VanDerWaalsContact C-N 3.29Å; S975-L977 PolarHBondContact O-N 3.5Å; L977-M980 HydrophobicContact CD2-CE 4Å; L977-A981 VanDerWaalsContact O-CB 3.26Å; L977-A981 WeakPolarHBondContact O-CB 3.45Å; L977-A981 PolarHBondContact O-N 2.82Å |
| 978 | K | 74.4 | Confident | 66.3 | Low | 159 Ų | 159 | 124.6 Ų | 124.6 | 69% | 0.691 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -65.1 | -41.7 | 169.1 | -76.2 | 179.7 | 176.2 | -179.1 | 0 | 112.2 | D974 S975 A981 S982 | D974-K978 WeakPolarHBondContact O-CG 3.37Å; D974-K978 PolarHBondContact O-N 2.84Å; S975-K978 WeakPolarHBondContact O-CB 3.45Å; S975-K978 PolarHBondContact O-N 2.83Å; S975-K978 VanDerWaalsContact O-N 3.13Å; K978-A981 PolarHBondContact O-N 2.95Å; K978-A981 VanDerWaalsContact O-N 3.16Å; K978-S982 PolarHBondContact O-N 2.96Å; K978-S982 PolarHBondContact O-OG 2.85Å |
| 979 | D | 71.6 | Confident | 64.6 | Low | 81 Ų | 81 | 127.8 Ų | 127.8 | 43% | 0.433 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -65.2 | -38.1 | 176.5 | -61.1 | -31.5 | 0 | 0 | 0 | 112.2 | S975 K976 S982 Q983 | S975-D979 VanDerWaalsContact O-CG 3.24Å; S975-D979 PolarHBondContact O-N 3.24Å; K976-D979 PolarHBondContact O-N 3.27Å; D979-S982 PolarHBondContact O-OG 2.79Å; D979-Q983 WeakPolarHBondContact O-CB 3.49Å; D979-Q983 VanDerWaalsContact O-CG 3.26Å; D979-Q983 WeakPolarHBondContact O-CG 3.17Å; D979-Q983 PolarHBondContact O-N 2.89Å; D979-Q983 VanDerWaalsContact O-N 3.1Å |
| 980 | M | 64.8 | Low | 63.2 | Low | 96 Ų | 96 | 132.8 Ų | 132.8 | 47% | 0.473 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -74 | -25.7 | 172.5 | -71.1 | -160.4 | -55.8 | 0 | 0 | 113.1 | K976 L977 R984 | K976-M980 WeakPolarHBondContact O-CG 3.23Å; K976-M980 PolarHBondContact O-N 3.18Å; L977-M980 HydrophobicContact CD2-CE 4Å; M980-R984 WeakPolarHBondContact O-CG 3.35Å; M980-R984 PolarHBondContact O-N 2.8Å |
| 981 | A | 65.6 | Low | 61.7 | Low | 56 Ų | 56 | 136.8 Ų | 136.8 | 46% | 0.463 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -75.2 | -35.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L977 K978 R984 | L977-A981 VanDerWaalsContact O-CB 3.26Å; L977-A981 WeakPolarHBondContact O-CB 3.45Å; L977-A981 PolarHBondContact O-N 2.82Å; K978-A981 PolarHBondContact O-N 2.95Å; K978-A981 VanDerWaalsContact O-N 3.16Å; A981-R984 PolarHBondContact O-N 3.41Å |
| 982 | S | 61.6 | Low | 59.8 | Low | 76 Ų | 76 | 135 Ų | 135 | 53% | 0.531 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -69.8 | -39.1 | 172.2 | 59.8 | 0 | 0 | 0 | 0 | 111.6 | K978 D979 R984 K985 | K978-S982 PolarHBondContact O-N 2.96Å; K978-S982 PolarHBondContact O-OG 2.85Å; D979-S982 PolarHBondContact O-OG 2.79Å; S982-R984 PolarHBondContact O-N 3.31Å; S982-R984 VanDerWaalsContact O-N 3.16Å; S982-K985 PolarHBondContact O-N 2.79Å; S982-K985 VanDerWaalsContact O-N 3.14Å |
| 983 | Q | 60.1 | Low | 58 | Low | 149 Ų | 149 | 139.4 Ų | 139.4 | 70% | 0.696 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | -14.5 | 171.3 | -73.4 | 175.7 | 1.6 | 0 | 0 | 114.4 | D979 | D979-Q983 WeakPolarHBondContact O-CB 3.49Å; D979-Q983 VanDerWaalsContact O-CG 3.26Å; D979-Q983 WeakPolarHBondContact O-CG 3.17Å; D979-Q983 PolarHBondContact O-N 2.89Å; D979-Q983 VanDerWaalsContact O-N 3.1Å |
| 984 | R | 55.9 | Low | 57.3 | Low | 214 Ų | 214 | 141.3 Ų | 141.3 | 81% | 0.808 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | 2 | 175.4 | -76.1 | 177.5 | 179.5 | -169.9 | 0.1 | 114.3 | M980 A981 S982 | M980-R984 WeakPolarHBondContact O-CG 3.35Å; M980-R984 PolarHBondContact O-N 2.8Å; A981-R984 PolarHBondContact O-N 3.41Å; S982-R984 PolarHBondContact O-N 3.31Å; S982-R984 VanDerWaalsContact O-N 3.16Å |
| 985 | K | 53.1 | Low | 56.4 | Low | 192 Ų | 192 | 144.3 Ų | 144.3 | 84% | 0.835 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -114.4 | 52.1 | 177.5 | -77.7 | -167.8 | 173.2 | -175 | 0 | 113.3 | S982 | S982-K985 PolarHBondContact O-N 2.79Å; S982-K985 VanDerWaalsContact O-N 3.14Å |
| 986 | S | 51.8 | Low | 55.3 | Low | 96 Ų | 96 | 148.8 Ų | 148.8 | 67% | 0.671 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -155.1 | 48.9 | 171.9 | 53.7 | 0 | 0 | 0 | 0 | 114.3 | ||
| 987 | K | 50.6 | Low | 54.3 | Low | 202 Ų | 202 | 148.9 Ų | 148.9 | 88% | 0.878 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -164.4 | 81.7 | 163 | -112.8 | 167.1 | -174.1 | -179.5 | 0 | 111.4 | ||
| 988 | N | 44.9 | Very low | 53.1 | Low | 171 Ų | 171 | 152.7 Ų | 152.7 | 91% | 0.914 | 76% | 0.757 | S | S | * | * | trans | 179.5 | 73 | 153.9 | -96.5 | -2.3 | 0 | 0 | 0 | 110 | ||||
| 989 | K | 42.8 | Very low | 51.7 | Low | 204 Ų | 204 | 152.3 Ų | 152.3 | 89% | 0.887 | 76% | 0.762 | S | S | * | * | trans | -159 | 86.2 | 158 | -113.6 | -165.1 | 177.8 | -168.4 | 0 | 106.9 | ||||
| 990 | E | 39.6 | Very low | 50.3 | Low | 196 Ų | 196 | 157.4 Ų | 157.4 | 92% | 0.916 | 79% | 0.785 | S | S | * | * | trans | 175.4 | 84.5 | 155.8 | -103 | 167.2 | -155.8 | 0 | 0 | 108.7 | ||||
| 991 | K | 40.5 | Very low | 49.2 | Very low | 193 Ų | 193 | 162.1 Ų | 162.1 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | trans | -157.3 | 152.2 | 140.8 | -110.7 | -178.3 | -178.2 | -168.4 | 0 | 108.6 | ||||
| 992 | D | 38 | Very low | 47.8 | Very low | 148 Ų | 148 | 170.9 Ų | 170.9 | 79% | 0.791 | 84% | 0.838 | S | S | * | * | trans | 75.2 | 81 | 172.7 | -49.4 | -6.4 | 0 | 0 | 0 | 115.5 | ||||
| 993 | T | 34.8 | Very low | 46.6 | Very low | 210 Ų | 210 | 179.5 Ų | 179.5 | 100% | 1.288 | 87% | 0.866 | S | S | * | * | -68.8 | 0 | 105.5 | 50.7 | 0 | 0 | 0 | 0 | 109.9 |
Retrieved 993 of 993 residues in 397.5 ms
(Link to these results)