| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 58.3 | Low | 65 | Low | 199 Ų | 199 | 109 Ų | 109 | 98% | 0.98 | 51% | 0.51 | S | S | * | . | 0 | -48.9 | 0 | -63.2 | -176.2 | -142.4 | 0 | 0 | 112.5 | D3 R4 K5 | M1-D3 PolarHBondContact O-N 3.17Å; M1-R4 PolarHBondContact O-N 3.04Å; M1-K5 PolarHBondContact O-N 3.15Å | |||
| 2 | A | 56.4 | Low | 65.2 | Low | 61 Ų | 61 | 106.1 Ų | 106.1 | 50% | 0.504 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -55.6 | -47.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | R4 K5 H6 | A2-R4 PolarHBondContact O-N 2.93Å; A2-K5 WeakPolarHBondContact O-CB 3.26Å; A2-K5 PolarHBondContact O-N 3.32Å; A2-K5 VanDerWaalsContact O-N 3.15Å; A2-H6 PolarHBondContact O-CD2 3.41Å; A2-H6 PolarHBondContact O-N 3.15Å |
| 3 | D | 65.3 | Low | 65.3 | Low | 88 Ų | 88 | 99.1 Ų | 99.1 | 47% | 0.471 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.3 | -46.3 | 176.8 | -175.5 | 17.8 | 0 | 0 | 0 | 112.1 | M1 K5 H6 R7 | M1-D3 PolarHBondContact O-N 3.17Å; D3-K5 PolarHBondContact O-N 3.34Å; D3-H6 PolarHBondContact O-N 2.9Å; D3-H6 VanDerWaalsContact O-N 3.12Å; D3-R7 WeakPolarHBondContact O-CG 3.37Å; D3-R7 PolarHBondContact O-N 2.84Å; D3-R7 IonicContact OD1-CZ 2.65Å; D3-R7 IonicContact OD1-NE 2.66Å; D3-R7 PolarHBondContact OD1-NE 2.71Å; D3-R7 IonicContact OD1-NH2 2.96Å; D3-R7 IonicContact OD2-CZ 3.84Å; D3-R7 IonicContact OD2-NE 2.74Å; D3-R7 PolarHBondContact OD2-NE 2.78Å; D3-R7 IonicContact OD2-NH2 2.95Å; D3-R7 PolarHBondContact OD2-NH2 2.8Å |
| 4 | R | 68.8 | Low | 65.7 | Low | 204 Ų | 204 | 96.3 Ų | 96.3 | 77% | 0.77 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -57 | -37.1 | 174.4 | -169.9 | 178.3 | -176.3 | 175.7 | 2.5 | 112.4 | M1 A2 K8 | M1-R4 PolarHBondContact O-N 3.04Å; A2-R4 PolarHBondContact O-N 2.93Å; R4-K8 VanDerWaalsContact O-CB 3.24Å; R4-K8 WeakPolarHBondContact O-CB 3.45Å; R4-K8 PolarHBondContact O-N 3.28Å |
| 5 | K | 63.7 | Low | 66 | Low | 69 Ų | 69 | 98.1 Ų | 98.1 | 30% | 0.3 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -69.6 | -42.8 | 177 | -174 | 171.1 | -177.5 | 155.3 | 0 | 111.7 | M1 A2 D3 K8 A9 E377 | M1-K5 PolarHBondContact O-N 3.15Å; A2-K5 WeakPolarHBondContact O-CB 3.26Å; A2-K5 PolarHBondContact O-N 3.32Å; A2-K5 VanDerWaalsContact O-N 3.15Å; D3-K5 PolarHBondContact O-N 3.34Å; K5-K8 PolarHBondContact O-N 2.85Å; K5-A9 VanDerWaalsContact O-CB 3.3Å; K5-A9 WeakPolarHBondContact O-CB 3.43Å; K5-A9 PolarHBondContact O-N 2.9Å; K5-E377 WeakPolarHBondContact CE-OE1 3.44Å; K5-E377 IonicContact NZ-OE1 2.68Å; K5-E377 PolarHBondContact NZ-OE1 2.97Å |
| 6 | H | 63.9 | Low | 66 | Low | 91 Ų | 91 | 93.2 Ų | 93.2 | 42% | 0.421 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.4 | -48.6 | 173.2 | -85.8 | -71.8 | 0 | 0 | 0 | 111.9 | A2 D3 K8 A9 F10 | A2-H6 PolarHBondContact O-CD2 3.41Å; A2-H6 PolarHBondContact O-N 3.15Å; D3-H6 PolarHBondContact O-N 2.9Å; D3-H6 VanDerWaalsContact O-N 3.12Å; H6-K8 PolarHBondContact O-N 3.41Å; H6-A9 PolarHBondContact O-N 2.95Å; H6-F10 VanDerWaalsContact O-CB 3.29Å; H6-F10 WeakPolarHBondContact O-CB 3.46Å; H6-F10 PolarHBondContact O-N 2.8Å |
| 7 | R | 70.1 | Confident | 66.2 | Low | 157 Ų | 157 | 89.2 Ų | 89.2 | 59% | 0.592 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -61.4 | -45 | 177.4 | -67.5 | -177.7 | -164.2 | -160.6 | 3.4 | 112.1 | D3 A9 F10 L11 | D3-R7 WeakPolarHBondContact O-CG 3.37Å; D3-R7 PolarHBondContact O-N 2.84Å; D3-R7 IonicContact OD1-CZ 2.65Å; D3-R7 IonicContact OD1-NE 2.66Å; D3-R7 PolarHBondContact OD1-NE 2.71Å; D3-R7 IonicContact OD1-NH2 2.96Å; D3-R7 IonicContact OD2-CZ 3.84Å; D3-R7 IonicContact OD2-NE 2.74Å; D3-R7 PolarHBondContact OD2-NE 2.78Å; D3-R7 IonicContact OD2-NH2 2.95Å; D3-R7 PolarHBondContact OD2-NH2 2.8Å; R7-A9 PolarHBondContact O-N 2.91Å; R7-F10 PolarHBondContact O-N 3.48Å; R7-L11 WeakPolarHBondContact O-CB 3.1Å; R7-L11 VanDerWaalsContact O-CG 3.26Å; R7-L11 WeakPolarHBondContact O-CG 3.34Å; R7-L11 PolarHBondContact O-N 3.48Å |
| 8 | K | 68.7 | Low | 66.4 | Low | 130 Ų | 130 | 88.4 Ų | 88.4 | 57% | 0.565 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -61.2 | -45.6 | 178.3 | -178.1 | 173.8 | 173.2 | 178.1 | 0 | 111.4 | R4 K5 H6 L11 E12 | R4-K8 VanDerWaalsContact O-CB 3.24Å; R4-K8 WeakPolarHBondContact O-CB 3.45Å; R4-K8 PolarHBondContact O-N 3.28Å; K5-K8 PolarHBondContact O-N 2.85Å; H6-K8 PolarHBondContact O-N 3.41Å; K8-L11 PolarHBondContact O-N 3.34Å; K8-E12 WeakPolarHBondContact CE-OE1 3.22Å; K8-E12 IonicContact NZ-OE1 2.75Å; K8-E12 WeakPolarHBondContact O-CB 3.24Å; K8-E12 WeakPolarHBondContact O-CG 3.35Å; K8-E12 PolarHBondContact O-N 2.78Å |
| 9 | A | 62.2 | Low | 66.6 | Low | 13 Ų | 13 | 86.8 Ų | 86.8 | 11% | 0.107 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -68.3 | -36.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | K5 H6 R7 E12 A13 L601 | K5-A9 VanDerWaalsContact O-CB 3.3Å; K5-A9 WeakPolarHBondContact O-CB 3.43Å; K5-A9 PolarHBondContact O-N 2.9Å; H6-A9 PolarHBondContact O-N 2.95Å; R7-A9 PolarHBondContact O-N 2.91Å; A9-E12 PolarHBondContact O-N 2.93Å; A9-A13 VanDerWaalsContact O-CB 3.26Å; A9-A13 WeakPolarHBondContact O-CB 3.49Å; A9-A13 PolarHBondContact O-N 3.23Å; A9-L601 HydrophobicContact CB-CD1 3.08Å; A9-L601 HydrophobicContact CB-CD2 3.84Å; A9-L601 HydrophobicContact CB-CG 3.43Å; A9-L601 VanDerWaalsContact CB-CG 3.43Å |
| 10 | F | 67.8 | Low | 66.8 | Low | 95 Ų | 95 | 85.1 Ų | 85.1 | 42% | 0.417 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.2 | -45 | 172 | -179.9 | -94 | 0 | 0 | 0 | 111.1 | H6 R7 A13 R14 L342 | H6-F10 VanDerWaalsContact O-CB 3.29Å; H6-F10 WeakPolarHBondContact O-CB 3.46Å; H6-F10 PolarHBondContact O-N 2.8Å; R7-F10 PolarHBondContact O-N 3.48Å; F10-A13 PolarHBondContact O-N 3.11Å; F10-R14 WeakPolarHBondContact O-CB 3.44Å; F10-R14 PolarHBondContact O-N 3.39Å; F10-L342 HydrophobicContact CD2-CD1 4.21Å; F10-L342 HydrophobicContact CE2-CD1 3.53Å; F10-L342 HydrophobicContact CZ-CD1 4.18Å |
| 11 | L | 69.4 | Low | 67.1 | Low | 92 Ų | 92 | 81.7 Ų | 81.7 | 48% | 0.482 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64 | -43 | 176.2 | -71.6 | 171.3 | 0 | 0 | 0 | 112.2 | R7 K8 A13 R14 Q15 | R7-L11 WeakPolarHBondContact O-CB 3.1Å; R7-L11 VanDerWaalsContact O-CG 3.26Å; R7-L11 WeakPolarHBondContact O-CG 3.34Å; R7-L11 PolarHBondContact O-N 3.48Å; K8-L11 PolarHBondContact O-N 3.34Å; L11-A13 VanDerWaalsContact C-N 3.35Å; L11-R14 PolarHBondContact O-N 3.07Å; L11-Q15 WeakPolarHBondContact O-CB 3.44Å; L11-Q15 WeakPolarHBondContact O-CG 3.4Å; L11-Q15 PolarHBondContact O-N 2.96Å |
| 12 | E | 67.7 | Low | 67.7 | Low | 74 Ų | 74 | 74.7 Ų | 74.7 | 35% | 0.346 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.3 | -40.5 | 175.2 | -75.2 | 176.9 | -173.7 | 0 | 0 | 111.6 | K8 A9 S16 | K8-E12 WeakPolarHBondContact CE-OE1 3.22Å; K8-E12 IonicContact NZ-OE1 2.75Å; K8-E12 WeakPolarHBondContact O-CB 3.24Å; K8-E12 WeakPolarHBondContact O-CG 3.35Å; K8-E12 PolarHBondContact O-N 2.78Å; A9-E12 PolarHBondContact O-N 2.93Å; E12-S16 VanDerWaalsContact O-CB 3.3Å; E12-S16 WeakPolarHBondContact O-CB 3.44Å; E12-S16 PolarHBondContact O-N 3.04Å |
| 13 | A | 66.3 | Low | 68.4 | Low | 15 Ų | 15 | 72.8 Ų | 72.8 | 12% | 0.124 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.9 | -42.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | A9 F10 L11 S16 L17 | A9-A13 VanDerWaalsContact O-CB 3.26Å; A9-A13 WeakPolarHBondContact O-CB 3.49Å; A9-A13 PolarHBondContact O-N 3.23Å; F10-A13 PolarHBondContact O-N 3.11Å; L11-A13 VanDerWaalsContact C-N 3.35Å; A13-S16 PolarHBondContact O-N 3.16Å; A13-L17 VanDerWaalsContact O-CB 3.3Å; A13-L17 WeakPolarHBondContact O-CB 3.21Å; A13-L17 PolarHBondContact O-N 2.92Å |
| 14 | R | 71.4 | Confident | 68.7 | Low | 60 Ų | 60 | 70.5 Ų | 70.5 | 23% | 0.226 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.1 | -54.5 | 174 | 169 | 169.9 | 164.7 | 176.1 | -6.9 | 111.3 | F10 L11 S16 L17 E18 E331 N335 L338 | F10-R14 WeakPolarHBondContact O-CB 3.44Å; F10-R14 PolarHBondContact O-N 3.39Å; L11-R14 PolarHBondContact O-N 3.07Å; R14-S16 VanDerWaalsContact C-N 3.26Å; R14-S16 PolarHBondContact O-N 3.38Å; R14-L17 PolarHBondContact O-N 3Å; R14-E18 WeakPolarHBondContact O-CB 3.36Å; R14-E18 PolarHBondContact O-N 3.07Å; R14-E331 IonicContact NH2-OE1 3Å; R14-N335 PolarHBondContact NH1-OD1 3.25Å; R14-L338 HydrophobicContact CB-CD2 3.79Å; R14-L338 HydrophobicContact CG-CD1 4.48Å; R14-L338 HydrophobicContact CG-CD2 3.48Å; R14-L338 VanDerWaalsContact CG-CD2 3.48Å |
| 15 | Q | 70.1 | Confident | 68.8 | Low | 123 Ų | 123 | 61.8 Ų | 61.8 | 58% | 0.575 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -58.7 | -41.4 | 180 | -76.2 | 179.6 | -13.5 | 0 | 0 | 111.4 | L11 V19 | L11-Q15 WeakPolarHBondContact O-CB 3.44Å; L11-Q15 WeakPolarHBondContact O-CG 3.4Å; L11-Q15 PolarHBondContact O-N 2.96Å; Q15-V19 WeakPolarHBondContact O-CB 3.22Å; Q15-V19 VanDerWaalsContact O-CG2 3.25Å; Q15-V19 WeakPolarHBondContact O-CG2 3.26Å; Q15-V19 PolarHBondContact O-N 2.9Å |
| 16 | S | 66.4 | Low | 69.1 | Low | 20 Ų | 20 | 62 Ų | 62 | 14% | 0.14 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.1 | -42.9 | 174.4 | 167.4 | 0 | 0 | 0 | 0 | 112.8 | E12 A13 R14 E18 V19 K20 V608 | E12-S16 VanDerWaalsContact O-CB 3.3Å; E12-S16 WeakPolarHBondContact O-CB 3.44Å; E12-S16 PolarHBondContact O-N 3.04Å; A13-S16 PolarHBondContact O-N 3.16Å; R14-S16 VanDerWaalsContact C-N 3.26Å; R14-S16 PolarHBondContact O-N 3.38Å; S16-E18 VanDerWaalsContact C-N 3.34Å; S16-V19 PolarHBondContact O-N 3.29Å; S16-K20 WeakPolarHBondContact O-CB 3.4Å; S16-K20 PolarHBondContact O-N 3.25Å; S16-V608 WeakPolarHBondContact OG-CB 3.29Å; S16-V608 WeakPolarHBondContact OG-CG1 3.16Å; S16-V608 WeakPolarHBondContact OG-CG2 3.49Å |
| 17 | L | 68.3 | Low | 69.6 | Low | 26 Ų | 26 | 58 Ų | 58 | 14% | 0.136 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -69 | -38.9 | -176.6 | -178.7 | 55.4 | 0 | 0 | 0 | 110.3 | A13 R14 K20 L21 L338 A341 | A13-L17 VanDerWaalsContact O-CB 3.3Å; A13-L17 WeakPolarHBondContact O-CB 3.21Å; A13-L17 PolarHBondContact O-N 2.92Å; R14-L17 PolarHBondContact O-N 3Å; L17-K20 HydrophobicContact CD1-CD 4.34Å; L17-K20 WeakPolarHBondContact O-CB 3.24Å; L17-K20 PolarHBondContact O-N 3.39Å; L17-L21 HydrophobicContact CD1-CD1 4.39Å; L17-L21 HydrophobicContact CD1-CG 4.37Å; L17-L21 HydrophobicContact CG-CD1 4.18Å; L17-L21 VanDerWaalsContact O-CG 3.29Å; L17-L21 WeakPolarHBondContact O-CG 3.43Å; L17-L21 PolarHBondContact O-N 3.49Å; L17-L338 HydrophobicContact CB-CD1 3.9Å; L17-L338 HydrophobicContact CD2-CD1 3.35Å; L17-L338 HydrophobicContact CD2-CG 3.98Å; L17-L338 HydrophobicContact CG-CD1 3.65Å; L17-A341 HydrophobicContact CD2-CB 4.05Å |
| 18 | E | 70.3 | Confident | 69.7 | Low | 74 Ų | 74 | 52.3 Ų | 52.3 | 35% | 0.346 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.6 | -49.9 | 171.5 | -175 | -179.7 | 172.5 | 0 | 0 | 111.7 | R14 S16 K20 L21 N22 | R14-E18 WeakPolarHBondContact O-CB 3.36Å; R14-E18 PolarHBondContact O-N 3.07Å; S16-E18 VanDerWaalsContact C-N 3.34Å; E18-K20 VanDerWaalsContact C-N 3.27Å; E18-K20 PolarHBondContact O-N 2.86Å; E18-L21 PolarHBondContact O-N 3.47Å; E18-N22 WeakPolarHBondContact O-CB 3.31Å; E18-N22 PolarHBondContact O-N 3.2Å; E18-N22 PolarHBondContact O-ND2 2.88Å |
| 19 | V | 70.3 | Confident | 70 | Confident | 58 Ų | 58 | 49.8 Ų | 49.8 | 35% | 0.352 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.5 | -40.2 | 175 | 169.6 | 0 | 0 | 0 | 0 | 111 | Q15 S16 L23 | Q15-V19 WeakPolarHBondContact O-CB 3.22Å; Q15-V19 VanDerWaalsContact O-CG2 3.25Å; Q15-V19 WeakPolarHBondContact O-CG2 3.26Å; Q15-V19 PolarHBondContact O-N 2.9Å; S16-V19 PolarHBondContact O-N 3.29Å; V19-L23 HydrophobicContact CG1-CD1 3.71Å; V19-L23 HydrophobicContact CG1-CG 4.22Å; V19-L23 VanDerWaalsContact O-CB 3.3Å; V19-L23 WeakPolarHBondContact O-CB 3.48Å; V19-L23 WeakPolarHBondContact O-CG 3.34Å; V19-L23 PolarHBondContact O-N 3.12Å |
| 20 | K | 71.3 | Confident | 70.4 | Confident | 52 Ų | 52 | 49.9 Ų | 49.9 | 23% | 0.226 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.2 | -50.4 | 177.2 | -176.6 | -163 | 168 | -163.1 | 0 | 111.1 | S16 L17 E18 N22 L23 E24 | S16-K20 WeakPolarHBondContact O-CB 3.4Å; S16-K20 PolarHBondContact O-N 3.25Å; L17-K20 HydrophobicContact CD1-CD 4.34Å; L17-K20 WeakPolarHBondContact O-CB 3.24Å; L17-K20 PolarHBondContact O-N 3.39Å; E18-K20 VanDerWaalsContact C-N 3.27Å; E18-K20 PolarHBondContact O-N 2.86Å; K20-N22 VanDerWaalsContact C-N 3.33Å; K20-N22 PolarHBondContact O-N 3.11Å; K20-L23 PolarHBondContact O-N 3.24Å; K20-E24 WeakPolarHBondContact CE-OE2 3.49Å; K20-E24 IonicContact NZ-OE2 3.5Å; K20-E24 VanDerWaalsContact O-CB 3.29Å; K20-E24 WeakPolarHBondContact O-CB 3.32Å; K20-E24 PolarHBondContact O-N 3.25Å |
| 21 | L | 71.8 | Confident | 70.9 | Confident | 14 Ų | 14 | 48 Ų | 48 | 7% | 0.073 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.3 | -44.8 | -178.7 | -71.2 | 164.6 | 0 | 0 | 0 | 110.9 | L17 E18 L23 E24 E25 V324 | L17-L21 HydrophobicContact CD1-CD1 4.39Å; L17-L21 HydrophobicContact CD1-CG 4.37Å; L17-L21 HydrophobicContact CG-CD1 4.18Å; L17-L21 VanDerWaalsContact O-CG 3.29Å; L17-L21 WeakPolarHBondContact O-CG 3.43Å; L17-L21 PolarHBondContact O-N 3.49Å; E18-L21 PolarHBondContact O-N 3.47Å; L21-L23 PolarHBondContact O-N 3.4Å; L21-E24 PolarHBondContact O-N 3.07Å; L21-E25 PolarHBondContact O-N 2.87Å; L21-V324 HydrophobicContact CB-CG1 4.48Å; L21-V324 HydrophobicContact CD1-CG1 4.18Å; L21-V324 HydrophobicContact CD1-CG2 4.08Å |
| 22 | N | 72.2 | Confident | 71.3 | Confident | 52 Ų | 52 | 49.5 Ų | 49.5 | 28% | 0.278 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.3 | -43.2 | 175.4 | -72.1 | -24.3 | 0 | 0 | 0 | 112.4 | E18 K20 Q26 | E18-N22 WeakPolarHBondContact O-CB 3.31Å; E18-N22 PolarHBondContact O-N 3.2Å; E18-N22 PolarHBondContact O-ND2 2.88Å; K20-N22 VanDerWaalsContact C-N 3.33Å; K20-N22 PolarHBondContact O-N 3.11Å; N22-Q26 WeakPolarHBondContact O-CG 3.43Å; N22-Q26 PolarHBondContact O-N 3.37Å; N22-Q26 VanDerWaalsContact O-N 3.09Å |
| 23 | L | 71 | Confident | 71.6 | Confident | 21 Ų | 21 | 47.3 Ų | 47.3 | 11% | 0.11 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69 | -37.3 | 178.2 | -74.2 | 174.4 | 0 | 0 | 0 | 112.1 | V19 K20 L21 Q26 S27 K612 V615 | V19-L23 HydrophobicContact CG1-CD1 3.71Å; V19-L23 HydrophobicContact CG1-CG 4.22Å; V19-L23 VanDerWaalsContact O-CB 3.3Å; V19-L23 WeakPolarHBondContact O-CB 3.48Å; V19-L23 WeakPolarHBondContact O-CG 3.34Å; V19-L23 PolarHBondContact O-N 3.12Å; K20-L23 PolarHBondContact O-N 3.24Å; L21-L23 PolarHBondContact O-N 3.4Å; L23-Q26 PolarHBondContact O-N 2.81Å; L23-S27 VanDerWaalsContact O-CB 3.26Å; L23-S27 WeakPolarHBondContact O-CB 3.06Å; L23-S27 PolarHBondContact O-N 3.32Å; L23-K612 HydrophobicContact CD1-CG 4.14Å; L23-V615 HydrophobicContact CB-CB 4.28Å; L23-V615 HydrophobicContact CB-CG1 3.5Å; L23-V615 WeakPolarHBondContact O-CG1 3.33Å |
| 24 | E | 70.5 | Confident | 72.2 | Confident | 41 Ų | 41 | 46.7 Ų | 46.7 | 19% | 0.192 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.3 | -41 | 178.1 | -171.3 | 167.5 | 179.6 | 0 | 0 | 111 | K20 L21 S27 Q28 | K20-E24 WeakPolarHBondContact CE-OE2 3.49Å; K20-E24 IonicContact NZ-OE2 3.5Å; K20-E24 VanDerWaalsContact O-CB 3.29Å; K20-E24 WeakPolarHBondContact O-CB 3.32Å; K20-E24 PolarHBondContact O-N 3.25Å; L21-E24 PolarHBondContact O-N 3.07Å; E24-S27 PolarHBondContact O-N 2.84Å; E24-Q28 WeakPolarHBondContact O-CG 3.41Å; E24-Q28 PolarHBondContact O-N 3.34Å |
| 25 | E | 72.3 | Confident | 72.6 | Confident | 20 Ų | 20 | 46.8 Ų | 46.8 | 9% | 0.093 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.3 | -51.4 | 172.3 | -174 | -165.7 | 176.2 | 0 | 0 | 111.7 | L21 S27 Q28 Q29 I325 K642 | L21-E25 PolarHBondContact O-N 2.87Å; E25-S27 PolarHBondContact O-N 3.43Å; E25-Q28 PolarHBondContact O-N 2.97Å; E25-Q28 VanDerWaalsContact O-N 3.07Å; E25-Q29 WeakPolarHBondContact O-CG 3.38Å; E25-Q29 PolarHBondContact O-N 3.43Å; E25-Q29 PolarHBondContact OE1-NE2 3.13Å; E25-I325 HydrophobicContact CB-CD1 4.47Å; E25-I325 HydrophobicContact CG-CD1 3.66Å; E25-I325 WeakPolarHBondContact OE1-CD1 3.24Å; E25-K642 WeakPolarHBondContact OE1-CE 3.3Å; E25-K642 IonicContact OE1-NZ 2.76Å; E25-K642 PolarHBondContact OE1-NZ 2.75Å; E25-K642 WeakPolarHBondContact OE2-CE 3.43Å; E25-K642 IonicContact OE2-NZ 3.63Å; E25-K642 PolarHBondContact OE2-NZ 3.42Å |
| 26 | Q | 69.7 | Low | 72.8 | Confident | 74 Ų | 74 | 41.6 Ų | 41.6 | 35% | 0.346 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -57.2 | -41.3 | 177.9 | -75.3 | 179 | -3.8 | 0 | 0 | 111.1 | N22 L23 Q29 Q30 | N22-Q26 WeakPolarHBondContact O-CG 3.43Å; N22-Q26 PolarHBondContact O-N 3.37Å; N22-Q26 VanDerWaalsContact O-N 3.09Å; L23-Q26 PolarHBondContact O-N 2.81Å; Q26-Q29 PolarHBondContact O-N 3.32Å; Q26-Q30 VanDerWaalsContact O-CG 3.29Å; Q26-Q30 WeakPolarHBondContact O-CG 3.44Å; Q26-Q30 PolarHBondContact O-N 3.06Å |
| 27 | S | 73.5 | Confident | 73.3 | Confident | 6 Ų | 6 | 42.1 Ų | 42.1 | 4% | 0.042 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63 | -41.6 | 176.4 | -178.7 | 0 | 0 | 0 | 0 | 112.3 | L23 E24 E25 Q30 E31 M618 | L23-S27 VanDerWaalsContact O-CB 3.26Å; L23-S27 WeakPolarHBondContact O-CB 3.06Å; L23-S27 PolarHBondContact O-N 3.32Å; E24-S27 PolarHBondContact O-N 2.84Å; E25-S27 PolarHBondContact O-N 3.43Å; S27-Q30 PolarHBondContact O-N 3.1Å; S27-E31 PolarHBondContact O-N 3.47Å; S27-M618 PolarHBondContact OG-SD 2.93Å |
| 28 | Q | 73.3 | Confident | 74 | Confident | 38 Ų | 38 | 41 Ų | 41 | 18% | 0.178 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.2 | -39.6 | 175.8 | -73.6 | -179.5 | 23.9 | 0 | 0 | 112.8 | E24 E25 Q30 E31 R32 | E24-Q28 WeakPolarHBondContact O-CG 3.41Å; E24-Q28 PolarHBondContact O-N 3.34Å; E25-Q28 PolarHBondContact O-N 2.97Å; E25-Q28 VanDerWaalsContact O-N 3.07Å; Q28-Q30 VanDerWaalsContact C-N 3.3Å; Q28-Q30 PolarHBondContact O-N 3.2Å; Q28-E31 PolarHBondContact O-N 2.81Å; Q28-R32 WeakPolarHBondContact O-CB 3.14Å; Q28-R32 VanDerWaalsContact O-CG 3.31Å; Q28-R32 WeakPolarHBondContact O-CG 3.33Å; Q28-R32 PolarHBondContact O-N 3.34Å |
| 29 | Q | 73.5 | Confident | 74.6 | Confident | 78 Ų | 78 | 38.3 Ų | 38.3 | 36% | 0.364 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -60.4 | -44.1 | 174.8 | -72.2 | 178.8 | -13.4 | 0 | 0 | 110.6 | E25 Q26 R32 L33 | E25-Q29 WeakPolarHBondContact O-CG 3.38Å; E25-Q29 PolarHBondContact O-N 3.43Å; E25-Q29 PolarHBondContact OE1-NE2 3.13Å; Q26-Q29 PolarHBondContact O-N 3.32Å; Q29-R32 PolarHBondContact O-N 3.12Å; Q29-L33 PolarHBondContact O-N 3.22Å |
| 30 | Q | 72.6 | Confident | 75.2 | Confident | 14 Ų | 14 | 40.7 Ų | 40.7 | 7% | 0.065 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.5 | -39.9 | 175.1 | -67.4 | 176.1 | -25 | 0 | 0 | 112.5 | Q26 S27 Q28 L33 L34 N622 L639 | Q26-Q30 VanDerWaalsContact O-CG 3.29Å; Q26-Q30 WeakPolarHBondContact O-CG 3.44Å; Q26-Q30 PolarHBondContact O-N 3.06Å; S27-Q30 PolarHBondContact O-N 3.1Å; Q28-Q30 VanDerWaalsContact C-N 3.3Å; Q28-Q30 PolarHBondContact O-N 3.2Å; Q30-L33 PolarHBondContact O-N 2.78Å; Q30-L34 WeakPolarHBondContact O-CB 3.45Å; Q30-L34 PolarHBondContact O-N 3.05Å; Q30-N622 HydrophobicContact CB-CB 3.78Å; Q30-N622 HydrophobicContact CG-CB 4.47Å; Q30-L639 HydrophobicContact CG-CD2 4.06Å |
| 31 | E | 76.9 | Confident | 75.8 | Confident | 55 Ų | 55 | 41.5 Ų | 41.5 | 26% | 0.257 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -62.2 | -43.5 | 174.4 | -172 | -176 | 178.4 | 0 | 0 | 110.9 | S27 Q28 L33 L34 L35 R314 | S27-E31 PolarHBondContact O-N 3.47Å; Q28-E31 PolarHBondContact O-N 2.81Å; E31-L33 VanDerWaalsContact C-N 3.34Å; E31-L33 PolarHBondContact O-N 2.99Å; E31-L34 WeakPolarHBondContact O-CB 3.45Å; E31-L34 PolarHBondContact O-N 3.21Å; E31-L35 HydrophobicContact CG-CD1 3.99Å; E31-L35 HydrophobicContact CG-CG 4.32Å; E31-L35 WeakPolarHBondContact O-CB 3.32Å; E31-L35 VanDerWaalsContact O-CG 3.25Å; E31-L35 WeakPolarHBondContact O-CG 3.45Å; E31-L35 PolarHBondContact O-N 2.79Å; E31-R314 IonicContact OE1-NH2 3.11Å |
| 32 | R | 77.4 | Confident | 76.4 | Confident | 125 Ų | 125 | 40.9 Ų | 40.9 | 47% | 0.472 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -60.7 | -43 | 175.5 | -72.4 | 175.9 | -168.8 | -172.7 | 2.8 | 111.5 | Q28 Q29 S36 E322 | Q28-R32 WeakPolarHBondContact O-CB 3.14Å; Q28-R32 VanDerWaalsContact O-CG 3.31Å; Q28-R32 WeakPolarHBondContact O-CG 3.33Å; Q28-R32 PolarHBondContact O-N 3.34Å; Q29-R32 PolarHBondContact O-N 3.12Å; R32-S36 WeakPolarHBondContact O-CB 3.29Å; R32-S36 PolarHBondContact O-N 2.75Å; R32-E322 IonicContact CZ-OE1 2.99Å; R32-E322 IonicContact NH2-OE1 3.52Å; R32-E322 PolarHBondContact NH2-OE1 3.32Å |
| 33 | L | 75.3 | Confident | 77 | Confident | 27 Ų | 27 | 38.4 Ų | 38.4 | 14% | 0.141 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.3 | -44.9 | 175.9 | 180 | 61.5 | 0 | 0 | 0 | 111.3 | Q29 Q30 E31 S36 V626 P792 | Q29-L33 PolarHBondContact O-N 3.22Å; Q30-L33 PolarHBondContact O-N 2.78Å; E31-L33 VanDerWaalsContact C-N 3.34Å; E31-L33 PolarHBondContact O-N 2.99Å; L33-S36 WeakPolarHBondContact O-CB 3.46Å; L33-S36 PolarHBondContact O-N 3.23Å; L33-S36 PolarHBondContact O-OG 3.49Å; L33-V626 HydrophobicContact CD2-CB 4.45Å; L33-V626 HydrophobicContact CD2-CG1 3.71Å; L33-V626 HydrophobicContact CD2-CG2 3.78Å; L33-V626 HydrophobicContact CG-CG2 4.26Å; L33-P792 HydrophobicContact CD1-CG 3.42Å; L33-P792 VanDerWaalsContact CD1-CG 3.42Å |
| 34 | L | 77.8 | Confident | 77.6 | Confident | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.016 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.2 | -51.1 | 176.9 | 177 | 64.7 | 0 | 0 | 0 | 111.9 | Q30 E31 S36 I37 L38 A43 L47 L625 M629 | Q30-L34 WeakPolarHBondContact O-CB 3.45Å; Q30-L34 PolarHBondContact O-N 3.05Å; E31-L34 WeakPolarHBondContact O-CB 3.45Å; E31-L34 PolarHBondContact O-N 3.21Å; L34-S36 PolarHBondContact O-N 3.29Å; L34-I37 PolarHBondContact O-N 3.4Å; L34-L38 HydrophobicContact CD1-CD1 4.42Å; L34-L38 PolarHBondContact O-N 2.97Å; L34-A43 HydrophobicContact CD2-CB 4.07Å; L34-A43 HydrophobicContact CG-CB 4.1Å; L34-L47 HydrophobicContact CD2-CD1 4.04Å; L34-L625 HydrophobicContact CD1-CB 4.01Å; L34-L625 HydrophobicContact CD1-CD1 3.79Å; L34-L625 HydrophobicContact CD1-CG 4.43Å; L34-L625 HydrophobicContact CD2-CD1 3.68Å; L34-L625 HydrophobicContact CG-CD1 4.4Å; L34-M629 HydrophobicContact CD1-CE 3.59Å; L34-M629 HydrophobicContact CD1-SD 4.2Å |
| 35 | L | 79.8 | Confident | 78.3 | Confident | 61 Ų | 61 | 41.5 Ų | 41.5 | 32% | 0.319 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -68.3 | -14.1 | -179.7 | -65.8 | -179.3 | 0 | 0 | 0 | 113.4 | E31 L38 K40 A43 | E31-L35 HydrophobicContact CG-CD1 3.99Å; E31-L35 HydrophobicContact CG-CG 4.32Å; E31-L35 WeakPolarHBondContact O-CB 3.32Å; E31-L35 VanDerWaalsContact O-CG 3.25Å; E31-L35 WeakPolarHBondContact O-CG 3.45Å; E31-L35 PolarHBondContact O-N 2.79Å; L35-L38 CarbonylContact C-O 3.55Å; L35-L38 WeakPolarHBondContact CA-O 3.41Å; L35-K40 HydrophobicContact CD2-CB 3.7Å; L35-K40 HydrophobicContact CD2-CG 3.79Å; L35-A43 HydrophobicContact CD2-CB 4.19Å |
| 36 | S | 75.4 | Confident | 78.8 | Confident | 14 Ų | 14 | 40.6 Ų | 40.6 | 10% | 0.098 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -75 | -33.2 | 171.1 | 82.4 | 0 | 0 | 0 | 0 | 112.6 | R32 L33 L34 R790 K791 | R32-S36 WeakPolarHBondContact O-CB 3.29Å; R32-S36 PolarHBondContact O-N 2.75Å; L33-S36 WeakPolarHBondContact O-CB 3.46Å; L33-S36 PolarHBondContact O-N 3.23Å; L33-S36 PolarHBondContact O-OG 3.49Å; L34-S36 PolarHBondContact O-N 3.29Å; S36-R790 WeakPolarHBondContact CB-O 3.36Å; S36-R790 PolarHBondContact OG-O 3.22Å; S36-K791 WeakPolarHBondContact O-CD 3.39Å; S36-K791 WeakPolarHBondContact O-CE 3.3Å; S36-K791 WeakPolarHBondContact O-CG 3.5Å |
| 37 | I | 76.6 | Confident | 79.3 | Confident | 31 Ų | 31 | 38.2 Ų | 38.2 | 16% | 0.159 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -91.1 | -40.8 | -175.8 | -61 | 169.8 | 0 | 0 | 0 | 110.5 | L34 M629 | L34-I37 PolarHBondContact O-N 3.4Å; I37-M629 HydrophobicContact CB-SD 3.79Å; I37-M629 HydrophobicContact CD1-CB 4.06Å; I37-M629 HydrophobicContact CD1-CG 4.41Å; I37-M629 HydrophobicContact CD1-SD 3.56Å; I37-M629 VanDerWaalsContact CD1-SD 3.56Å; I37-M629 HydrophobicContact CG1-SD 4.26Å; I37-M629 HydrophobicContact CG2-CE 4.29Å; I37-M629 HydrophobicContact CG2-CG 4.29Å; I37-M629 HydrophobicContact CG2-SD 3.62Å |
| 38 | L | 81.9 | Confident | 79.7 | Confident | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -117.1 | 143.4 | -178.4 | -65.1 | -177.9 | 0 | 0 | 0 | 112.2 | L34 L35 A43 M46 V179 M629 | L34-L38 HydrophobicContact CD1-CD1 4.42Å; L34-L38 PolarHBondContact O-N 2.97Å; L35-L38 CarbonylContact C-O 3.55Å; L35-L38 WeakPolarHBondContact CA-O 3.41Å; L38-A43 HydrophobicContact CB-CB 4.24Å; L38-M46 HydrophobicContact CD1-CE 4.47Å; L38-M46 HydrophobicContact CD1-SD 3.43Å; L38-M46 WeakPolarHBondContact CD1-SD 3.37Å; L38-V179 HydrophobicContact CD2-CG2 3.64Å; L38-M629 HydrophobicContact CD1-CE 3.2Å; L38-M629 HydrophobicContact CD2-CE 4.34Å; L38-M629 HydrophobicContact CG-CE 3.47Å; L38-M629 VanDerWaalsContact CG-CE 3.47Å |
| 39 | P | 83.7 | Confident | 80 | Confident | 18 Ų | 18 | 42.9 Ų | 42.9 | 12% | 0.117 | 20% | 0.203 | C | C | . | . | trans | -55.6 | 142.2 | 164.6 | -23.1 | 33.8 | 0 | 0 | 0 | 111.4 | H41 I42 A43 Y187 | P39-H41 VanDerWaalsContact C-N 3.35Å; P39-H41 PolarHBondContact O-N 2.68Å; P39-I42 HydrophobicContact CB-CD1 4.45Å; P39-I42 HydrophobicContact CB-CG1 4.39Å; P39-I42 HydrophobicContact CG-CD1 4.18Å; P39-I42 PolarHBondContact O-N 3.28Å; P39-I42 VanDerWaalsContact O-N 3.13Å; P39-A43 PolarHBondContact O-N 3.16Å; P39-Y187 HydrophobicContact CG-CD1 4.12Å; P39-Y187 HydrophobicContact CG-CD2 3.79Å; P39-Y187 HydrophobicContact CG-CE1 4.14Å; P39-Y187 HydrophobicContact CG-CE2 3.83Å; P39-Y187 HydrophobicContact CG-CG 3.93Å | ||
| 40 | K | 82.8 | Confident | 80.2 | Confident | 109 Ų | 109 | 41 Ų | 41 | 47% | 0.474 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -55.3 | -44.2 | -173.3 | -175.8 | 174.5 | 178.1 | -173.7 | 0 | 114.3 | L35 I42 A43 D44 | L35-K40 HydrophobicContact CD2-CB 3.7Å; L35-K40 HydrophobicContact CD2-CG 3.79Å; K40-I42 VanDerWaalsContact C-N 3.31Å; K40-I42 PolarHBondContact O-N 3.17Å; K40-A43 PolarHBondContact O-N 3.4Å; K40-D44 WeakPolarHBondContact O-CB 3.4Å; K40-D44 PolarHBondContact O-N 3.26Å |
| 41 | H | 83.6 | Confident | 80.4 | Confident | 69 Ų | 69 | 46.7 Ų | 46.7 | 32% | 0.319 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61.8 | -40.2 | -178.7 | 64 | -86.8 | 0 | 0 | 0 | 111.9 | P39 E45 Y68 | P39-H41 VanDerWaalsContact C-N 3.35Å; P39-H41 PolarHBondContact O-N 2.68Å; H41-E45 WeakPolarHBondContact O-CB 3.27Å; H41-E45 PolarHBondContact O-N 3.46Å; H41-E45 VanDerWaalsContact O-N 3.11Å; H41-Y68 AromaticContact CD2-CE2 3.82Å; H41-Y68 AromaticContact NE2-CD2 3.84Å; H41-Y68 AromaticContact NE2-CE2 3.97Å |
| 42 | I | 85.7 | Confident | 80.4 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68 | -46.1 | 176.1 | -55.8 | -174 | 0 | 0 | 0 | 110.2 | P39 K40 D44 E45 M46 Y66 Y68 V179 Y187 | P39-I42 HydrophobicContact CB-CD1 4.45Å; P39-I42 HydrophobicContact CB-CG1 4.39Å; P39-I42 HydrophobicContact CG-CD1 4.18Å; P39-I42 PolarHBondContact O-N 3.28Å; P39-I42 VanDerWaalsContact O-N 3.13Å; K40-I42 VanDerWaalsContact C-N 3.31Å; K40-I42 PolarHBondContact O-N 3.17Å; I42-D44 VanDerWaalsContact C-N 3.32Å; I42-D44 PolarHBondContact O-N 2.95Å; I42-E45 PolarHBondContact O-N 3.2Å; I42-M46 HydrophobicContact CG2-CG 4.13Å; I42-M46 HydrophobicContact CG2-SD 3.72Å; I42-M46 WeakPolarHBondContact O-CB 3.48Å; I42-M46 WeakPolarHBondContact O-CG 3.34Å; I42-M46 PolarHBondContact O-N 2.77Å; I42-Y66 HydrophobicContact CG2-CG 4.37Å; I42-Y68 HydrophobicContact CD1-CD2 4.34Å; I42-Y68 HydrophobicContact CD1-CE2 4.48Å; I42-Y68 HydrophobicContact CG1-CD2 4.36Å; I42-Y68 HydrophobicContact CG1-CE2 4.07Å; I42-V179 HydrophobicContact CG2-CG2 4.12Å; I42-Y187 HydrophobicContact CD1-CD2 3.53Å; I42-Y187 HydrophobicContact CD1-CE2 3.42Å; I42-Y187 VanDerWaalsContact CD1-CE2 3.42Å |
| 43 | A | 84.4 | Confident | 79.9 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.008 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59 | -43.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L34 L35 L38 P39 K40 L47 | L34-A43 HydrophobicContact CD2-CB 4.07Å; L34-A43 HydrophobicContact CG-CB 4.1Å; L35-A43 HydrophobicContact CD2-CB 4.19Å; L38-A43 HydrophobicContact CB-CB 4.24Å; P39-A43 PolarHBondContact O-N 3.16Å; K40-A43 PolarHBondContact O-N 3.4Å; A43-L47 WeakPolarHBondContact O-CB 3.4Å; A43-L47 WeakPolarHBondContact O-CG 3.4Å; A43-L47 PolarHBondContact O-N 2.96Å |
| 44 | D | 83.4 | Confident | 79.2 | Confident | 64 Ų | 64 | 52 Ų | 52 | 34% | 0.342 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65 | -40.2 | 177.9 | -73.7 | -24.1 | 0 | 0 | 0 | 111.7 | K40 I42 Q48 | K40-D44 WeakPolarHBondContact O-CB 3.4Å; K40-D44 PolarHBondContact O-N 3.26Å; I42-D44 VanDerWaalsContact C-N 3.32Å; I42-D44 PolarHBondContact O-N 2.95Å; D44-Q48 VanDerWaalsContact O-CG 3.3Å; D44-Q48 WeakPolarHBondContact O-CG 3.5Å; D44-Q48 PolarHBondContact O-N 3.44Å; D44-Q48 VanDerWaalsContact O-N 3.12Å |
| 45 | E | 85.3 | Confident | 78.2 | Confident | 63 Ų | 63 | 55.1 Ų | 55.1 | 29% | 0.294 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66.4 | -47.2 | 176.8 | -165.1 | -176.4 | -179.1 | 0 | 0 | 111.7 | H41 I42 L47 Q48 D49 Y66 Y68 | H41-E45 WeakPolarHBondContact O-CB 3.27Å; H41-E45 PolarHBondContact O-N 3.46Å; H41-E45 VanDerWaalsContact O-N 3.11Å; I42-E45 PolarHBondContact O-N 3.2Å; E45-L47 VanDerWaalsContact C-N 3.32Å; E45-L47 PolarHBondContact O-N 3.3Å; E45-Q48 WeakPolarHBondContact O-CB 3.42Å; E45-Q48 PolarHBondContact O-N 3.17Å; E45-Q48 VanDerWaalsContact O-N 3.1Å; E45-D49 PolarHBondContact O-N 3.41Å; E45-Y66 HydrophobicContact CB-CD1 4.33Å; E45-Y66 HydrophobicContact CB-CE1 4.3Å; E45-Y66 HydrophobicContact CG-CD1 3.95Å; E45-Y66 HydrophobicContact CG-CE1 3.83Å; E45-Y68 PolarHBondContact OE2-OH 3.41Å |
| 46 | M | 83.2 | Confident | 77.1 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.4 | -41.8 | 176 | -68 | 177 | 97.9 | 0 | 0 | 112 | L38 I42 Q48 D49 M50 Y66 V179 W185 | L38-M46 HydrophobicContact CD1-CE 4.47Å; L38-M46 HydrophobicContact CD1-SD 3.43Å; L38-M46 WeakPolarHBondContact CD1-SD 3.37Å; I42-M46 HydrophobicContact CG2-CG 4.13Å; I42-M46 HydrophobicContact CG2-SD 3.72Å; I42-M46 WeakPolarHBondContact O-CB 3.48Å; I42-M46 WeakPolarHBondContact O-CG 3.34Å; I42-M46 PolarHBondContact O-N 2.77Å; M46-Q48 VanDerWaalsContact C-N 3.32Å; M46-Q48 PolarHBondContact O-N 2.95Å; M46-D49 PolarHBondContact O-N 3.12Å; M46-M50 WeakPolarHBondContact O-CG 3.25Å; M46-M50 PolarHBondContact O-N 3.1Å; M46-Y66 HydrophobicContact CE-CD2 4.03Å; M46-Y66 HydrophobicContact CE-CE2 3.9Å; M46-Y66 HydrophobicContact CG-CD1 4.16Å; M46-Y66 HydrophobicContact CG-CD2 3.77Å; M46-Y66 HydrophobicContact CG-CE1 3.9Å; M46-Y66 HydrophobicContact CG-CE2 3.52Å; M46-Y66 HydrophobicContact CG-CG 4.08Å; M46-Y66 HydrophobicContact SD-CD2 4.32Å; M46-Y66 HydrophobicContact SD-CE2 4.42Å; M46-V179 HydrophobicContact CE-CG1 4.23Å; M46-W185 HydrophobicContact CE-CB 4.41Å; M46-W185 HydrophobicContact CE-CD2 3.26Å; M46-W185 HydrophobicContact CE-CE3 3.13Å; M46-W185 HydrophobicContact CE-CG 3.86Å; M46-W185 HydrophobicContact CE-CH2 3.82Å; M46-W185 HydrophobicContact CE-CZ2 3.95Å; M46-W185 HydrophobicContact CE-CZ3 3.41Å; M46-W185 VanDerWaalsContact CE-CZ3 3.41Å; M46-W185 HydrophobicContact SD-CE3 4.39Å |
| 47 | L | 78.6 | Confident | 76.1 | Confident | 25 Ų | 25 | 61.7 Ų | 61.7 | 13% | 0.131 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.4 | -36.7 | 175.8 | -82.7 | 168.4 | 0 | 0 | 0 | 112.5 | L34 A43 E45 K51 W621 L625 | L34-L47 HydrophobicContact CD2-CD1 4.04Å; A43-L47 WeakPolarHBondContact O-CB 3.4Å; A43-L47 WeakPolarHBondContact O-CG 3.4Å; A43-L47 PolarHBondContact O-N 2.96Å; E45-L47 VanDerWaalsContact C-N 3.32Å; E45-L47 PolarHBondContact O-N 3.3Å; L47-K51 WeakPolarHBondContact O-CD 3.45Å; L47-K51 VanDerWaalsContact O-CG 3.27Å; L47-K51 WeakPolarHBondContact O-CG 3.42Å; L47-K51 PolarHBondContact O-N 2.82Å; L47-W621 HydrophobicContact CD2-CB 4Å; L47-L625 HydrophobicContact CD1-CD1 4.35Å; L47-L625 HydrophobicContact CD2-CD1 3.41Å; L47-L625 VanDerWaalsContact CD2-CD1 3.41Å; L47-L625 HydrophobicContact CD2-CG 4.46Å; L47-L625 HydrophobicContact CG-CD1 3.69Å |
| 48 | Q | 82.1 | Confident | 75 | Confident | 120 Ų | 120 | 68.4 Ų | 68.4 | 56% | 0.561 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -67.5 | -41.4 | 175.6 | -72.6 | 172.7 | 35.9 | 0 | 0 | 111.1 | D44 E45 M46 K51 K52 | D44-Q48 VanDerWaalsContact O-CG 3.3Å; D44-Q48 WeakPolarHBondContact O-CG 3.5Å; D44-Q48 PolarHBondContact O-N 3.44Å; D44-Q48 VanDerWaalsContact O-N 3.12Å; E45-Q48 WeakPolarHBondContact O-CB 3.42Å; E45-Q48 PolarHBondContact O-N 3.17Å; E45-Q48 VanDerWaalsContact O-N 3.1Å; M46-Q48 VanDerWaalsContact C-N 3.32Å; M46-Q48 PolarHBondContact O-N 2.95Å; Q48-K51 WeakPolarHBondContact O-CB 3.37Å; Q48-K51 PolarHBondContact O-N 3.27Å; Q48-K52 PolarHBondContact O-N 3.4Å |
| 49 | D | 81.3 | Confident | 73.6 | Confident | 21 Ų | 21 | 76.5 Ų | 76.5 | 11% | 0.112 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -70.8 | -31.1 | 179 | -86.1 | 12.9 | 0 | 0 | 0 | 113.5 | E45 M46 K51 K52 K57 T64 Y66 | E45-D49 PolarHBondContact O-N 3.41Å; M46-D49 PolarHBondContact O-N 3.12Å; D49-K51 VanDerWaalsContact C-N 3.3Å; D49-K52 PolarHBondContact O-N 3.37Å; D49-K52 VanDerWaalsContact OD1-CE 3.25Å; D49-K52 WeakPolarHBondContact OD1-CE 3.17Å; D49-K52 IonicContact OD1-NZ 2.68Å; D49-K52 PolarHBondContact OD1-NZ 3.4Å; D49-K57 WeakPolarHBondContact O-CE 3.47Å; D49-K57 PolarHBondContact O-NZ 3.14Å; D49-T64 WeakPolarHBondContact OD2-CG2 3.23Å; D49-Y66 VanDerWaalsContact CB-OH 3.3Å; D49-Y66 WeakPolarHBondContact CB-OH 3.32Å; D49-Y66 PolarHBondContact OD2-OH 3.16Å |
| 50 | M | 76.5 | Confident | 72.5 | Confident | 38 Ų | 38 | 80.2 Ų | 80.2 | 19% | 0.187 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -66.8 | -32.3 | 171 | -74.4 | -174.1 | 83.2 | 0 | 0 | 112.5 | M46 K52 W185 W621 A624 L625 | M46-M50 WeakPolarHBondContact O-CG 3.25Å; M46-M50 PolarHBondContact O-N 3.1Å; M50-K52 VanDerWaalsContact C-N 3.33Å; M50-W185 HydrophobicContact SD-CH2 4.44Å; M50-W185 HydrophobicContact SD-CZ3 4.26Å; M50-W621 HydrophobicContact CB-CE3 3.82Å; M50-W621 HydrophobicContact CB-CH2 4.41Å; M50-W621 HydrophobicContact CB-CZ3 3.66Å; M50-W621 HydrophobicContact CE-CE3 3.85Å; M50-W621 HydrophobicContact CE-CZ3 3.94Å; M50-W621 WeakPolarHBondContact O-CH2 3.19Å; M50-W621 WeakPolarHBondContact O-CZ3 3.41Å; M50-W621 HydrophobicContact SD-CE3 4.42Å; M50-A624 HydrophobicContact CE-CB 4.13Å; M50-L625 HydrophobicContact SD-CD2 3.48Å; M50-L625 WeakPolarHBondContact SD-CD2 3.41Å; M50-L625 HydrophobicContact SD-CG 3.96Å |
| 51 | K | 75.9 | Confident | 71.3 | Confident | 134 Ų | 134 | 83.5 Ų | 83.5 | 58% | 0.583 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -76.1 | -15.8 | 178 | -71.5 | 170.2 | -175.1 | 178.1 | 0 | 114 | L47 Q48 D49 W621 | L47-K51 WeakPolarHBondContact O-CD 3.45Å; L47-K51 VanDerWaalsContact O-CG 3.27Å; L47-K51 WeakPolarHBondContact O-CG 3.42Å; L47-K51 PolarHBondContact O-N 2.82Å; Q48-K51 WeakPolarHBondContact O-CB 3.37Å; Q48-K51 PolarHBondContact O-N 3.27Å; D49-K51 VanDerWaalsContact C-N 3.3Å; K51-W621 HydrophobicContact CG-CZ2 4.35Å |
| 52 | K | 78.1 | Confident | 70.6 | Confident | 90 Ų | 90 | 85.4 Ų | 85.4 | 39% | 0.391 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -67.6 | 141.1 | 176 | -68.5 | 175.4 | -177.8 | 165.5 | 0 | 110.4 | Q48 D49 M50 | Q48-K52 PolarHBondContact O-N 3.4Å; D49-K52 PolarHBondContact O-N 3.37Å; D49-K52 VanDerWaalsContact OD1-CE 3.25Å; D49-K52 WeakPolarHBondContact OD1-CE 3.17Å; D49-K52 IonicContact OD1-NZ 2.68Å; D49-K52 PolarHBondContact OD1-NZ 3.4Å; M50-K52 VanDerWaalsContact C-N 3.33Å |
| 53 | E | 67 | Low | 70.2 | Confident | 135 Ų | 135 | 88.4 Ų | 88.4 | 63% | 0.631 | 43% | 0.43 | S | S | * | . | trans | -64 | 150.4 | 179.5 | -73.4 | -156.7 | 166 | 0 | 0 | 112.3 | S55 Q56 | E53-S55 PolarHBondContact O-N 3.42Å; E53-S55 VanDerWaalsContact O-N 3.15Å; E53-Q56 PolarHBondContact O-N 3.13Å | ||
| 54 | P | 60.4 | Low | 69.9 | Low | 93 Ų | 93 | 90.7 Ų | 90.7 | 60% | 0.604 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -55.4 | -33.5 | 179.9 | -21.7 | 30.8 | 0 | 0 | 0 | 113.5 | Q56 K57 E58 | P54-Q56 PolarHBondContact O-N 3.1Å; P54-K57 WeakPolarHBondContact O-CB 3.45Å; P54-K57 PolarHBondContact O-N 3.43Å; P54-E58 PolarHBondContact O-N 3.11Å |
| 55 | S | 56.6 | Low | 69.9 | Low | 69 Ų | 69 | 89.3 Ų | 89.3 | 48% | 0.483 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -59.4 | -28.5 | 177.8 | 55.5 | 0 | 0 | 0 | 0 | 113.6 | E53 | E53-S55 PolarHBondContact O-N 3.42Å; E53-S55 VanDerWaalsContact O-N 3.15Å |
| 56 | Q | 56.7 | Low | 70 | Confident | 114 Ų | 114 | 87.1 Ų | 87.1 | 53% | 0.533 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -82.8 | -22.5 | 175.3 | -66.1 | -177.7 | -7.3 | 0 | 0 | 112.7 | E53 P54 | E53-Q56 PolarHBondContact O-N 3.13Å; P54-Q56 PolarHBondContact O-N 3.1Å |
| 57 | K | 54.7 | Low | 70.2 | Confident | 100 Ų | 100 | 88.2 Ų | 88.2 | 44% | 0.435 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -78.8 | -33.9 | 177.7 | -68.4 | -176.2 | 176.9 | 178.9 | 0 | 112.2 | D49 P54 M59 Q60 | D49-K57 WeakPolarHBondContact O-CE 3.47Å; D49-K57 PolarHBondContact O-NZ 3.14Å; P54-K57 WeakPolarHBondContact O-CB 3.45Å; P54-K57 PolarHBondContact O-N 3.43Å; K57-M59 PolarHBondContact O-N 2.56Å; K57-Q60 PolarHBondContact O-N 2.87Å |
| 58 | E | 53.6 | Low | 70.7 | Confident | 171 Ų | 171 | 90.9 Ų | 90.9 | 80% | 0.799 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -17.2 | 177.1 | -69.9 | 178.4 | 174.7 | 0 | 0 | 113.7 | P54 Q60 | P54-E58 PolarHBondContact O-N 3.11Å; E58-Q60 VanDerWaalsContact C-N 3.34Å |
| 59 | M | 52.9 | Low | 71.1 | Confident | 173 Ų | 173 | 90.2 Ų | 90.2 | 85% | 0.852 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -3.7 | 179.1 | -143.7 | 161.8 | 76.8 | 0 | 0 | 113.4 | K57 | K57-M59 PolarHBondContact O-N 2.56Š|
| 60 | Q | 59.1 | Low | 71.6 | Confident | 95 Ų | 95 | 90.7 Ų | 90.7 | 44% | 0.444 | 43% | 0.434 | S | S | . | . | trans | -93.4 | 125.6 | 179.3 | -67.3 | 178.6 | -13 | 0 | 0 | 110.8 | K57 E58 F62 T64 | K57-Q60 PolarHBondContact O-N 2.87Å; E58-Q60 VanDerWaalsContact C-N 3.34Å; Q60-F62 VanDerWaalsContact C-N 3.32Å; Q60-T64 PolarHBondContact OE1-OG1 3.42Å | ||
| 61 | Q | 58.7 | Low | 72.3 | Confident | 178 Ų | 178 | 93.6 Ų | 93.6 | 83% | 0.832 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -76.6 | -18.9 | 179 | -170.9 | 173.7 | -1.4 | 0 | 0 | 113.2 | ||
| 62 | F | 67.5 | Low | 73.1 | Confident | 110 Ų | 110 | 91.3 Ų | 91.3 | 48% | 0.482 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -127.9 | 151.4 | 179.5 | -66.8 | -76.7 | 0 | 0 | 0 | 110.3 | Q60 E688 | Q60-F62 VanDerWaalsContact C-N 3.32Å; F62-E688 HydrophobicContact CD1-CG 4.03Å |
| 63 | N | 77.7 | Confident | 73.9 | Confident | 62 Ų | 62 | 87 Ų | 87 | 33% | 0.332 | 42% | 0.422 | S | S | . | . | trans | -68.3 | 138.3 | 173.3 | -74 | -59.7 | 0 | 0 | 0 | 110.6 | M65 E688 | N63-M65 PolarHBondContact O-N 3.08Å; N63-E688 WeakPolarHBondContact CB-OE1 3.48Å; N63-E688 PolarHBondContact N-OE1 3.04Å; N63-E688 PolarHBondContact ND2-OE2 2.99Å | ||
| 64 | T | 78.4 | Confident | 75.4 | Confident | 50 Ų | 50 | 80.6 Ų | 80.6 | 31% | 0.307 | 39% | 0.392 | S | S | . | . | trans | -58.1 | 133.7 | 179 | -42.8 | 0 | 0 | 0 | 0 | 111 | D49 Q60 Y66 | D49-T64 WeakPolarHBondContact OD2-CG2 3.23Å; Q60-T64 PolarHBondContact OE1-OG1 3.42Å; T64-Y66 HydrophobicContact CG2-CE1 3.94Å; T64-Y66 HydrophobicContact CG2-CE2 4.14Å | ||
| 65 | M | 83.5 | Confident | 77.1 | Confident | 34 Ų | 34 | 76.2 Ų | 76.2 | 17% | 0.167 | 36% | 0.363 | C | S | . | . | trans | -128.9 | 126.8 | 178.5 | -175.2 | 179.5 | 73 | 0 | 0 | 109.4 | N63 M67 L180 I680 R684 N687 | N63-M65 PolarHBondContact O-N 3.08Å; M65-M67 HydrophobicContact CE-CB 4.3Å; M65-M67 HydrophobicContact CE-CE 3.58Å; M65-M67 HydrophobicContact CG-CB 4.45Å; M65-M67 HydrophobicContact CG-CE 4.14Å; M65-M67 HydrophobicContact SD-CE 3.39Å; M65-M67 WeakPolarHBondContact SD-CE 3.28Å; M65-L180 HydrophobicContact CG-CD2 3.98Å; M65-L180 HydrophobicContact SD-CD2 3.75Å; M65-I680 HydrophobicContact CE-CG2 3.81Å; M65-R684 HydrophobicContact CE-CB 3.93Å; M65-R684 HydrophobicContact CE-CG 4.39Å; M65-R684 HydrophobicContact SD-CB 4.24Å; M65-N687 HydrophobicContact CG-CB 4.49Å; M65-N687 HydrophobicContact SD-CB 3.99Å | ||
| 66 | Y | 87.3 | Confident | 79.1 | Confident | 18 Ų | 18 | 72.9 Ų | 72.9 | 7% | 0.071 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 101 | -179.1 | -51.8 | -84.7 | 0 | 0 | 0 | 108.8 | I42 E45 M46 D49 T64 G178 V179 | I42-Y66 HydrophobicContact CG2-CG 4.37Å; E45-Y66 HydrophobicContact CB-CD1 4.33Å; E45-Y66 HydrophobicContact CB-CE1 4.3Å; E45-Y66 HydrophobicContact CG-CD1 3.95Å; E45-Y66 HydrophobicContact CG-CE1 3.83Å; M46-Y66 HydrophobicContact CE-CD2 4.03Å; M46-Y66 HydrophobicContact CE-CE2 3.9Å; M46-Y66 HydrophobicContact CG-CD1 4.16Å; M46-Y66 HydrophobicContact CG-CD2 3.77Å; M46-Y66 HydrophobicContact CG-CE1 3.9Å; M46-Y66 HydrophobicContact CG-CE2 3.52Å; M46-Y66 HydrophobicContact CG-CG 4.08Å; M46-Y66 HydrophobicContact SD-CD2 4.32Å; M46-Y66 HydrophobicContact SD-CE2 4.42Å; D49-Y66 VanDerWaalsContact CB-OH 3.3Å; D49-Y66 WeakPolarHBondContact CB-OH 3.32Å; D49-Y66 PolarHBondContact OD2-OH 3.16Å; T64-Y66 HydrophobicContact CG2-CE1 3.94Å; T64-Y66 HydrophobicContact CG2-CE2 4.14Å; Y66-G178 CarbonylContact O-C 3.44Å; Y66-G178 WeakPolarHBondContact O-CA 3.48Å; Y66-V179 PolarHBondContact O-N 3.26Å |
| 67 | M | 88.1 | Confident | 81 | Confident | 23 Ų | 23 | 67.9 Ų | 67.9 | 11% | 0.113 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 134.5 | -174.5 | -167 | 121.5 | 60.9 | 0 | 0 | 112.2 | M65 L176 G177 L180 W190 L683 | M65-M67 HydrophobicContact CE-CB 4.3Å; M65-M67 HydrophobicContact CE-CE 3.58Å; M65-M67 HydrophobicContact CG-CB 4.45Å; M65-M67 HydrophobicContact CG-CE 4.14Å; M65-M67 HydrophobicContact SD-CE 3.39Å; M65-M67 WeakPolarHBondContact SD-CE 3.28Å; M67-L176 HydrophobicContact CG-CB 4.1Å; M67-L176 HydrophobicContact SD-CB 4.1Å; M67-G177 WeakPolarHBondContact CA-O 3.4Å; M67-L180 HydrophobicContact CE-CD2 4.16Å; M67-W190 HydrophobicContact SD-CE3 3.64Å; M67-W190 HydrophobicContact SD-CZ3 3.77Å; M67-L683 HydrophobicContact CE-CB 3.34Å; M67-L683 HydrophobicContact CE-CD1 3.38Å; M67-L683 HydrophobicContact CE-CG 3.99Å; M67-L683 HydrophobicContact SD-CD1 3.71Å |
| 68 | Y | 89.1 | Confident | 83 | Confident | 81 Ų | 81 | 63.1 Ų | 63.1 | 32% | 0.318 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 136.5 | -174.6 | -64.2 | -86 | 0 | 0 | 0 | 110.2 | H41 I42 E45 H70 L176 G177 | H41-Y68 AromaticContact CD2-CE2 3.82Å; H41-Y68 AromaticContact NE2-CD2 3.84Å; H41-Y68 AromaticContact NE2-CE2 3.97Å; I42-Y68 HydrophobicContact CD1-CD2 4.34Å; I42-Y68 HydrophobicContact CD1-CE2 4.48Å; I42-Y68 HydrophobicContact CG1-CD2 4.36Å; I42-Y68 HydrophobicContact CG1-CE2 4.07Å; E45-Y68 PolarHBondContact OE2-OH 3.41Å; Y68-H70 PolarHBondContact O-CD2 3.41Å; Y68-L176 CarbonylContact O-C 3.56Å; Y68-L176 WeakPolarHBondContact O-CA 3.41Å; Y68-G177 PolarHBondContact N-O 2.86Å; Y68-G177 PolarHBondContact O-N 3.07Å |
| 69 | R | 89.6 | Confident | 84.9 | Confident | 106 Ų | 106 | 56.6 Ų | 56.6 | 40% | 0.4 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 132.1 | 174.6 | -174.2 | 179.1 | 172.6 | 106.4 | -1.1 | 109.7 | E71 L176 | R69-E71 HydrophobicContact CG-CG 4.5Å; R69-E71 IonicContact CZ-OE1 2.69Å; R69-E71 IonicContact NE-OE1 2.63Å; R69-E71 PolarHBondContact NE-OE1 2.99Å; R69-E71 IonicContact NH2-OE1 3.86Å; R69-E71 PolarHBondContact NH2-OE1 2.93Å; R69-L176 HydrophobicContact CB-CD2 3.66Å; R69-L176 HydrophobicContact CG-CD2 3.94Å |
| 70 | H | 91.5 | Very high | 86.7 | Confident | 31 Ų | 31 | 48.6 Ų | 48.6 | 14% | 0.144 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 128.4 | 176.9 | -61.2 | -89.7 | 0 | 0 | 0 | 109.3 | Y68 V73 L131 T174 V175 | Y68-H70 PolarHBondContact O-CD2 3.41Å; H70-V73 HydrophobicContact CB-CG1 4.13Å; H70-L131 HydrophobicContact CB-CD2 3.39Å; H70-L131 WeakPolarHBondContact CD2-CD2 3.32Å; H70-L131 WeakPolarHBondContact ND1-CD2 3.36Å; H70-T174 CarbonylContact O-C 3.57Å; H70-T174 WeakPolarHBondContact O-CA 3.4Å; H70-V175 HydrophobicContact CB-CG2 4.01Å; H70-V175 PolarHBondContact N-O 2.67Å; H70-V175 PolarHBondContact O-N 3.22Å |
| 71 | E | 91.5 | Very high | 88.1 | Confident | 99 Ų | 99 | 45.9 Ų | 45.9 | 46% | 0.463 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 157.6 | -178.4 | -57.3 | -171.3 | 159.7 | 0 | 0 | 110.1 | R69 T174 | R69-E71 HydrophobicContact CG-CG 4.5Å; R69-E71 IonicContact CZ-OE1 2.69Å; R69-E71 IonicContact NE-OE1 2.63Å; R69-E71 PolarHBondContact NE-OE1 2.99Å; R69-E71 IonicContact NH2-OE1 3.86Å; R69-E71 PolarHBondContact NH2-OE1 2.93Å; E71-T174 HydrophobicContact CB-CG2 4.12Å; E71-T174 HydrophobicContact CG-CG2 3.97Å |
| 72 | N | 92 | Very high | 89.2 | Confident | 86 Ų | 86 | 39 Ų | 39 | 46% | 0.46 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 55.4 | 56 | 178.2 | -57.2 | -44.1 | 0 | 0 | 0 | 112.4 | Y134 H138 G173 | N72-Y134 HydrophobicContact CB-CD2 4.45Å; N72-Y134 HydrophobicContact CB-CE2 3.73Å; N72-H138 PolarHBondContact O-CD2 3.44Å; N72-H138 PolarHBondContact O-NE2 2.82Å; N72-G173 PolarHBondContact N-O 3.32Å |
| 73 | V | 96.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 155.7 | 174.7 | -59.7 | 0 | 0 | 0 | 0 | 110.3 | H70 I75 I128 C129 L131 S172 G173 V175 | H70-V73 HydrophobicContact CB-CG1 4.13Å; V73-I75 HydrophobicContact CG2-CG1 4.29Å; V73-I128 HydrophobicContact CB-CG2 3.81Å; V73-I128 HydrophobicContact CG1-CG2 4.41Å; V73-I128 HydrophobicContact CG2-CG2 4.18Å; V73-C129 WeakPolarHBondContact CA-O 3.46Å; V73-C129 WeakPolarHBondContact CB-O 3.49Å; V73-L131 HydrophobicContact CG1-CD2 4.27Å; V73-L131 HydrophobicContact CG1-CG 4.17Å; V73-S172 CarbonylContact O-C 3.55Å; V73-S172 VanDerWaalsContact O-CA 3.22Å; V73-S172 WeakPolarHBondContact O-CA 3.49Å; V73-G173 WeakPolarHBondContact CG2-O 3.46Å; V73-G173 PolarHBondContact N-O 2.87Å; V73-G173 PolarHBondContact O-N 2.81Å; V73-V175 HydrophobicContact CG1-CG2 4.43Å; V73-V175 HydrophobicContact CG2-CB 4.29Å; V73-V175 HydrophobicContact CG2-CG1 3.74Å; V73-V175 HydrophobicContact CG2-CG2 3.68Å |
| 74 | S | 97.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 124.6 | 171.8 | -69.9 | 0 | 0 | 0 | 0 | 111.6 | I128 C129 H138 A139 S142 H171 S172 | S74-I128 CarbonylContact O-C 3.59Å; S74-I128 WeakPolarHBondContact O-CA 3.45Å; S74-C129 PolarHBondContact N-O 3.4Å; S74-C129 PolarHBondContact O-N 2.84Å; S74-H138 PolarHBondContact N-ND1 3.28Å; S74-H138 PolarHBondContact OG-ND1 3.17Å; S74-A139 WeakPolarHBondContact OG-CA 3.38Å; S74-A139 PolarHBondContact OG-N 3.16Å; S74-S142 WeakPolarHBondContact CB-OG 3.44Å; S74-H171 CarbonylContact C-O 3.46Å; S74-H171 WeakPolarHBondContact CA-O 3.36Å; S74-S172 PolarHBondContact OG-OG 3.11Å |
| 75 | I | 97.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 122.1 | -171 | -56.6 | 173 | 0 | 0 | 0 | 107.8 | V73 F77 Y126 I128 V170 H171 V175 D193 V194 A197 | V73-I75 HydrophobicContact CG2-CG1 4.29Å; I75-F77 HydrophobicContact CG2-CD2 4.18Å; I75-F77 HydrophobicContact CG2-CE2 3.89Å; I75-Y126 HydrophobicContact CG2-CE2 3.36Å; I75-Y126 WeakPolarHBondContact CG2-OH 3.19Å; I75-I128 HydrophobicContact CG1-CG1 4.32Å; I75-V170 VanDerWaalsContact O-CA 3.29Å; I75-V170 WeakPolarHBondContact O-CA 3.25Å; I75-H171 WeakPolarHBondContact CB-O 3.28Å; I75-H171 PolarHBondContact N-O 2.87Å; I75-H171 PolarHBondContact O-N 2.88Å; I75-V175 HydrophobicContact CD1-CG1 3.59Å; I75-V175 HydrophobicContact CG1-CG1 4.14Å; I75-D193 HydrophobicContact CD1-CB 3.98Å; I75-V194 HydrophobicContact CD1-CG2 3.97Å; I75-A197 HydrophobicContact CB-CB 3.79Å; I75-A197 HydrophobicContact CG2-CB 3.28Å |
| 76 | L | 97.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 120.1 | -178.7 | -177.8 | 155.4 | 0 | 0 | 0 | 111.1 | A78 Y126 C127 S142 M145 M149 V168 G169 V170 | L76-A78 HydrophobicContact CD2-CB 3.94Å; L76-Y126 WeakPolarHBondContact O-CD2 3.37Å; L76-C127 PolarHBondContact N-O 3.08Å; L76-C127 PolarHBondContact O-N 3.27Å; L76-S142 WeakPolarHBondContact CD1-O 3.48Å; L76-M145 HydrophobicContact CD1-CB 4.19Å; L76-M145 HydrophobicContact CD1-CG 4.04Å; L76-M149 HydrophobicContact CD2-CE 4.48Å; L76-M149 HydrophobicContact CD2-SD 3.82Å; L76-V168 HydrophobicContact CD1-CG1 4.06Å; L76-V168 HydrophobicContact CD2-CG1 4.19Å; L76-V168 HydrophobicContact CG-CG1 3.94Å; L76-G169 WeakPolarHBondContact CA-O 3.3Å; L76-V170 HydrophobicContact CB-CG2 4.36Å; L76-V170 HydrophobicContact CD1-CG2 4.05Å; L76-V170 HydrophobicContact CG-CG2 4.11Å |
| 77 | F | 97.1 | Very high | 88.8 | Confident | 8 Ų | 8 | 38.9 Ų | 38.9 | 4% | 0.035 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 132.2 | 168.2 | -79.9 | -95.1 | 0 | 0 | 0 | 109.8 | I75 Y126 V168 G169 V194 A197 N198 E201 | I75-F77 HydrophobicContact CG2-CD2 4.18Å; I75-F77 HydrophobicContact CG2-CE2 3.89Å; F77-Y126 AromaticContact CD1-CD2 3.8Å; F77-Y126 HydrophobicContact CD1-CD2 3.8Å; F77-Y126 HydrophobicContact CD1-CG 4.07Å; F77-Y126 AromaticContact CD2-CD2 3.51Å; F77-Y126 HydrophobicContact CD2-CD2 3.51Å; F77-Y126 AromaticContact CD2-CE2 3.65Å; F77-Y126 HydrophobicContact CD2-CE2 3.65Å; F77-Y126 HydrophobicContact CD2-CG 4.49Å; F77-Y126 HydrophobicContact CE1-CD1 4.24Å; F77-Y126 AromaticContact CE1-CD2 3.61Å; F77-Y126 HydrophobicContact CE1-CD2 3.61Å; F77-Y126 HydrophobicContact CE1-CE2 4.22Å; F77-Y126 AromaticContact CE1-CG 3.65Å; F77-Y126 HydrophobicContact CE1-CG 3.65Å; F77-Y126 AromaticContact CE2-CD2 3.31Å; F77-Y126 HydrophobicContact CE2-CD2 3.31Å; F77-Y126 HydrophobicContact CE2-CE1 4.49Å; F77-Y126 AromaticContact CE2-CE2 3.16Å; F77-Y126 HydrophobicContact CE2-CE2 3.16Å; F77-Y126 HydrophobicContact CE2-CG 4.12Å; F77-Y126 AromaticContact CE2-CZ 3.78Å; F77-Y126 AromaticContact CG-CD2 3.75Å; F77-Y126 HydrophobicContact CG-CD2 3.75Å; F77-Y126 HydrophobicContact CG-CE2 4.36Å; F77-Y126 HydrophobicContact CG-CG 4.47Å; F77-Y126 HydrophobicContact CZ-CD1 4.02Å; F77-Y126 AromaticContact CZ-CD2 3.35Å; F77-Y126 HydrophobicContact CZ-CD2 3.35Å; F77-Y126 HydrophobicContact CZ-CE1 4.06Å; F77-Y126 AromaticContact CZ-CE2 3.49Å; F77-Y126 HydrophobicContact CZ-CE2 3.49Å; F77-Y126 VanDerWaalsContact CZ-CE2 3.49Å; F77-Y126 AromaticContact CZ-CG 3.67Å; F77-Y126 HydrophobicContact CZ-CG 3.67Å; F77-Y126 AromaticContact CZ-CZ 3.8Å; F77-V168 WeakPolarHBondContact O-CA 3.49Å; F77-G169 PolarHBondContact N-O 3.23Å; F77-G169 PolarHBondContact O-N 3.29Å; F77-V194 HydrophobicContact CE2-CG1 4.09Å; F77-V194 HydrophobicContact CZ-CG1 4.03Å; F77-A197 HydrophobicContact CD2-CB 3.67Å; F77-A197 HydrophobicContact CE2-CB 3.87Å; F77-N198 HydrophobicContact CD1-CB 4.5Å; F77-N198 HydrophobicContact CD2-CB 4.32Å; F77-N198 HydrophobicContact CE1-CB 4.3Å; F77-N198 HydrophobicContact CE2-CB 4.08Å; F77-N198 HydrophobicContact CZ-CB 4.09Å; F77-E201 HydrophobicContact CB-CB 3.68Å; F77-E201 HydrophobicContact CB-CG 4.04Å |
| 78 | A | 95.4 | Very high | 88 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 115.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | L76 C124 Y125 M149 M166 R167 V168 | L76-A78 HydrophobicContact CD2-CB 3.94Å; A78-C124 CarbonylContact O-C 3.52Å; A78-C124 WeakPolarHBondContact O-CA 3.46Å; A78-Y125 PolarHBondContact N-O 2.74Å; A78-Y125 PolarHBondContact O-N 3.48Å; A78-M149 HydrophobicContact CB-CE 4.16Å; A78-M149 HydrophobicContact CB-SD 3.9Å; A78-M166 HydrophobicContact CB-CG 4.31Å; A78-M166 HydrophobicContact CB-SD 4Å; A78-R167 CarbonylContact C-O 3.58Å; A78-R167 VanDerWaalsContact CA-O 3.25Å; A78-R167 WeakPolarHBondContact CA-O 3.17Å; A78-V168 HydrophobicContact CB-CG2 4.18Å |
| 79 | D | 93.5 | Very high | 87.1 | Confident | 34 Ų | 34 | 41.8 Ų | 41.8 | 18% | 0.182 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 146.3 | -177.7 | -170.4 | 49.3 | 0 | 0 | 0 | 112.6 | D123 C124 M166 R167 E201 | D79-D123 VanDerWaalsContact OD1-CG 3.3Å; D79-C124 HydrophobicContact CB-CB 4.45Å; D79-M166 WeakPolarHBondContact O-CA 3.48Å; D79-R167 PolarHBondContact N-O 3.23Å; D79-R167 PolarHBondContact O-N 3.43Å; D79-E201 HydrophobicContact CB-CG 4.11Å; D79-E201 VanDerWaalsContact CB-OE1 3.31Å; D79-E201 WeakPolarHBondContact CB-OE1 3.34Å |
| 80 | I | 90.8 | Very high | 86.1 | Confident | 6 Ų | 6 | 38.5 Ų | 38.5 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 111.7 | -179.6 | -57.2 | 169.8 | 0 | 0 | 0 | 110 | G82 F83 L99 L102 D123 I153 V164 M166 | I80-G82 PolarHBondContact O-N 3Å; I80-F83 HydrophobicContact CB-CB 4.11Å; I80-F83 HydrophobicContact CD1-CD2 4.31Å; I80-F83 HydrophobicContact CG2-CB 4.1Å; I80-F83 WeakPolarHBondContact O-CB 3.22Å; I80-F83 PolarHBondContact O-N 3.28Å; I80-L99 HydrophobicContact CD1-CD2 4.19Å; I80-L102 HydrophobicContact CD1-CD2 3.65Å; I80-L102 HydrophobicContact CG1-CD2 4.44Å; I80-D123 HydrophobicContact CB-CB 4.25Å; I80-D123 HydrophobicContact CD1-CB 4.4Å; I80-I153 HydrophobicContact CG1-CD1 4.44Å; I80-V164 HydrophobicContact CG2-CB 4.42Å; I80-M166 HydrophobicContact CG1-CE 3.66Å |
| 81 | V | 88.5 | Confident | 85.2 | Confident | 37 Ų | 37 | 39.7 Ų | 39.7 | 22% | 0.224 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 124.9 | 175 | -173.7 | 0 | 0 | 0 | 0 | 109.8 | V164 D165 R167 P206 | V81-V164 WeakPolarHBondContact O-CA 3.42Å; V81-D165 HydrophobicContact CB-CB 4.26Å; V81-D165 PolarHBondContact N-O 2.8Å; V81-D165 PolarHBondContact O-N 3.49Å; V81-R167 HydrophobicContact CG2-CB 4.34Å; V81-R167 HydrophobicContact CG2-CG 3.57Å; V81-P206 HydrophobicContact CG1-CG 4.41Å; V81-P206 HydrophobicContact CG2-CB 4.14Å; V81-P206 HydrophobicContact CG2-CG 4.07Å |
| 82 | G | 83.4 | Confident | 84.1 | Confident | 35 Ų | 35 | 36.7 Ų | 36.7 | 36% | 0.361 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.9 | 8.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | I80 T84 Q85 L86 | I80-G82 PolarHBondContact O-N 3Å; G82-T84 VanDerWaalsContact C-N 3.32Å; G82-T84 PolarHBondContact O-N 2.8Å; G82-Q85 WeakPolarHBondContact O-CB 3.34Å; G82-Q85 PolarHBondContact O-N 2.94Å; G82-Q85 VanDerWaalsContact O-N 3.12Å; G82-L86 PolarHBondContact O-N 2.79Å; G82-L86 VanDerWaalsContact O-N 3.14Å |
| 83 | F | 81.8 | Confident | 83.1 | Confident | 16 Ų | 16 | 39.8 Ų | 39.8 | 7% | 0.07 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.3 | -39.6 | -178.9 | -178.4 | -106 | 0 | 0 | 0 | 114 | I80 Q85 L86 S87 L95 L99 D123 | I80-F83 HydrophobicContact CB-CB 4.11Å; I80-F83 HydrophobicContact CD1-CD2 4.31Å; I80-F83 HydrophobicContact CG2-CB 4.1Å; I80-F83 WeakPolarHBondContact O-CB 3.22Å; I80-F83 PolarHBondContact O-N 3.28Å; F83-Q85 VanDerWaalsContact C-N 3.26Å; F83-Q85 PolarHBondContact O-N 3.07Å; F83-L86 HydrophobicContact CD2-CD2 4.21Å; F83-L86 WeakPolarHBondContact O-CB 3.12Å; F83-L86 PolarHBondContact O-N 3.24Å; F83-L86 VanDerWaalsContact O-N 3.13Å; F83-S87 WeakPolarHBondContact O-CB 3.43Å; F83-S87 PolarHBondContact O-N 3.39Å; F83-S87 PolarHBondContact O-OG 3.29Å; F83-L95 HydrophobicContact CE2-CD1 3.94Å; F83-L95 HydrophobicContact CZ-CD1 4.27Å; F83-L95 HydrophobicContact CZ-CD2 4.43Å; F83-L99 HydrophobicContact CE2-CD1 4.01Å; F83-L99 HydrophobicContact CE2-CD2 3.8Å; F83-L99 HydrophobicContact CE2-CG 4.24Å; F83-L99 HydrophobicContact CZ-CD1 3.98Å; F83-L99 HydrophobicContact CZ-CD2 4.5Å; F83-D123 HydrophobicContact CB-CB 3.84Å; F83-D123 WeakPolarHBondContact CB-OD2 3.48Å; F83-D123 HydrophobicContact CD1-CB 3.49Å; F83-D123 VanDerWaalsContact CD1-CB 3.49Å; F83-D123 VanDerWaalsContact CD1-OD2 3.3Å; F83-D123 WeakPolarHBondContact CD1-OD2 3.16Å; F83-D123 HydrophobicContact CD2-CB 3.9Å; F83-D123 HydrophobicContact CE1-CB 3.97Å; F83-D123 HydrophobicContact CE2-CB 4.36Å; F83-D123 HydrophobicContact CG-CB 3.44Å; F83-D123 VanDerWaalsContact CG-CB 3.44Å; F83-D123 WeakPolarHBondContact CG-OD2 3.02Å; F83-D123 HydrophobicContact CZ-CB 4.38Å |
| 84 | T | 74.9 | Confident | 82.2 | Confident | 69 Ų | 69 | 45.4 Ų | 45.4 | 42% | 0.423 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -57.7 | -41.6 | 178.3 | -45.3 | 0 | 0 | 0 | 0 | 111.5 | G82 S87 S88 | G82-T84 VanDerWaalsContact C-N 3.32Å; G82-T84 PolarHBondContact O-N 2.8Å; T84-S87 PolarHBondContact O-N 3.03Å; T84-S87 PolarHBondContact O-OG 2.76Å; T84-S88 PolarHBondContact O-N 3.39Å |
| 85 | Q | 75.1 | Confident | 81.2 | Confident | 151 Ų | 151 | 46 Ų | 46 | 71% | 0.706 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -66.9 | -45.2 | 176.9 | -171.5 | 175.4 | 10.7 | 0 | 0 | 110.9 | G82 F83 S87 S88 S89 | G82-Q85 WeakPolarHBondContact O-CB 3.34Å; G82-Q85 PolarHBondContact O-N 2.94Å; G82-Q85 VanDerWaalsContact O-N 3.12Å; F83-Q85 VanDerWaalsContact C-N 3.26Å; F83-Q85 PolarHBondContact O-N 3.07Å; Q85-S87 VanDerWaalsContact C-N 3.34Å; Q85-S87 PolarHBondContact O-N 2.96Å; Q85-S88 PolarHBondContact O-N 2.95Å; Q85-S88 VanDerWaalsContact O-N 3.15Å; Q85-S88 PolarHBondContact O-OG 3.09Å; Q85-S89 PolarHBondContact O-N 3.23Å; Q85-S89 PolarHBondContact O-OG 2.78Å |
| 86 | L | 78.4 | Confident | 80.2 | Confident | 4 Ų | 4 | 46.3 Ų | 46.3 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -56.6 | -46.5 | 175.7 | -179.7 | 73.1 | 0 | 0 | 0 | 112 | G82 F83 S88 S89 C90 L95 L98 T160 T162 V164 | G82-L86 PolarHBondContact O-N 2.79Å; G82-L86 VanDerWaalsContact O-N 3.14Å; F83-L86 HydrophobicContact CD2-CD2 4.21Å; F83-L86 WeakPolarHBondContact O-CB 3.12Å; F83-L86 PolarHBondContact O-N 3.24Å; F83-L86 VanDerWaalsContact O-N 3.13Å; L86-S88 PolarHBondContact O-N 3.49Å; L86-S89 PolarHBondContact O-N 3.24Å; L86-S89 VanDerWaalsContact O-N 3.17Å; L86-S89 PolarHBondContact O-OG 3.47Å; L86-C90 PolarHBondContact O-N 2.92Å; L86-C90 PolarHBondContact O-SG 3.04Å; L86-L95 HydrophobicContact CD2-CD1 4.5Å; L86-L98 HydrophobicContact CD1-CD2 4.37Å; L86-L98 HydrophobicContact CD2-CD2 3.93Å; L86-T160 HydrophobicContact CD1-CG2 3.9Å; L86-T162 HydrophobicContact CD1-CG2 4.27Å; L86-V164 HydrophobicContact CB-CG1 4.44Å; L86-V164 HydrophobicContact CD2-CG1 4.42Å |
| 87 | S | 75 | Confident | 79.3 | Confident | 30 Ų | 30 | 53 Ų | 53 | 21% | 0.21 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.4 | -24.8 | -179.4 | 72.6 | 0 | 0 | 0 | 0 | 113.3 | F83 T84 Q85 | F83-S87 WeakPolarHBondContact O-CB 3.43Å; F83-S87 PolarHBondContact O-N 3.39Å; F83-S87 PolarHBondContact O-OG 3.29Å; T84-S87 PolarHBondContact O-N 3.03Å; T84-S87 PolarHBondContact O-OG 2.76Å; Q85-S87 VanDerWaalsContact C-N 3.34Å; Q85-S87 PolarHBondContact O-N 2.96Å |
| 88 | S | 70.4 | Confident | 78.5 | Confident | 86 Ų | 86 | 53.3 Ų | 53.3 | 60% | 0.601 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -83 | -22.3 | 176.8 | 70.4 | 0 | 0 | 0 | 0 | 113.6 | T84 Q85 L86 | T84-S88 PolarHBondContact O-N 3.39Å; Q85-S88 PolarHBondContact O-N 2.95Å; Q85-S88 VanDerWaalsContact O-N 3.15Å; Q85-S88 PolarHBondContact O-OG 3.09Å; L86-S88 PolarHBondContact O-N 3.49Å |
| 89 | S | 71.1 | Confident | 77.8 | Confident | 80 Ų | 80 | 53.5 Ų | 53.5 | 56% | 0.559 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -96.5 | -12.6 | -177.5 | 53.8 | 0 | 0 | 0 | 0 | 114.6 | Q85 L86 | Q85-S89 PolarHBondContact O-N 3.23Å; Q85-S89 PolarHBondContact O-OG 2.78Å; L86-S89 PolarHBondContact O-N 3.24Å; L86-S89 VanDerWaalsContact O-N 3.17Å; L86-S89 PolarHBondContact O-OG 3.47Å |
| 90 | C | 69.2 | Low | 77.2 | Confident | 36 Ų | 36 | 52.9 Ų | 52.9 | 24% | 0.243 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -109.8 | 149.4 | -176.3 | -63.2 | 0 | 0 | 0 | 0 | 111.5 | L86 L95 | L86-C90 PolarHBondContact O-N 2.92Å; L86-C90 PolarHBondContact O-SG 3.04Å; C90-L95 HydrophobicContact CB-CB 4.42Å |
| 91 | S | 72.4 | Confident | 76.8 | Confident | 56 Ų | 56 | 55 Ų | 55 | 39% | 0.392 | 31% | 0.311 | S | S | . | . | trans | -66.8 | 156.1 | 167.4 | 70.4 | 0 | 0 | 0 | 0 | 110.8 | Q93 E94 L95 | S91-Q93 VanDerWaalsContact C-N 3.33Å; S91-Q93 PolarHBondContact O-N 3Å; S91-E94 WeakPolarHBondContact CB-OE2 3.49Å; S91-E94 PolarHBondContact N-OE2 3.21Å; S91-E94 PolarHBondContact O-N 3.32Å; S91-E94 WeakPolarHBondContact OG-CB 3.36Å; S91-E94 WeakPolarHBondContact OG-CG 3.3Å; S91-E94 PolarHBondContact OG-N 2.85Å; S91-E94 PolarHBondContact OG-OE2 2.73Å; S91-L95 WeakPolarHBondContact O-CB 3.43Å; S91-L95 PolarHBondContact O-N 3.25Å | ||
| 92 | A | 67.3 | Low | 76.7 | Confident | 36 Ų | 36 | 53.4 Ų | 53.4 | 30% | 0.298 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -53.2 | -46.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L95 V96 L783 | A92-L95 PolarHBondContact O-N 3.34Å; A92-V96 PolarHBondContact O-N 3.22Å; A92-L783 HydrophobicContact CB-CB 4.43Å; A92-L783 HydrophobicContact CB-CD1 3.77Å; A92-L783 HydrophobicContact CB-CD2 3.57Å; A92-L783 HydrophobicContact CB-CG 4.12Å; A92-L783 VanDerWaalsContact O-CD2 3.23Å; A92-L783 WeakPolarHBondContact O-CD2 3.36Å |
| 93 | Q | 70.8 | Confident | 76.9 | Confident | 151 Ų | 151 | 51.8 Ų | 51.8 | 71% | 0.706 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -65.6 | -41.6 | -179.3 | -68.8 | 177.7 | -15.5 | 0 | 0 | 112.2 | S91 K97 | S91-Q93 VanDerWaalsContact C-N 3.33Å; S91-Q93 PolarHBondContact O-N 3Å; Q93-K97 WeakPolarHBondContact O-CB 3.42Å; Q93-K97 PolarHBondContact O-N 3.4Å |
| 94 | E | 78.1 | Confident | 77 | Confident | 119 Ų | 119 | 52.7 Ų | 52.7 | 56% | 0.556 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -66.1 | -40.4 | 177 | -70.7 | 166.7 | 152.2 | 0 | 0 | 111.7 | S91 K97 L98 | S91-E94 WeakPolarHBondContact CB-OE2 3.49Å; S91-E94 PolarHBondContact N-OE2 3.21Å; S91-E94 PolarHBondContact O-N 3.32Å; S91-E94 WeakPolarHBondContact OG-CB 3.36Å; S91-E94 WeakPolarHBondContact OG-CG 3.3Å; S91-E94 PolarHBondContact OG-N 2.85Å; S91-E94 PolarHBondContact OG-OE2 2.73Å; E94-K97 PolarHBondContact O-N 3.31Å; E94-L98 VanDerWaalsContact O-CB 3.3Å; E94-L98 WeakPolarHBondContact O-CB 3.38Å; E94-L98 PolarHBondContact O-N 3.47Å |
| 95 | L | 76.4 | Confident | 77.7 | Confident | 13 Ų | 13 | 53.4 Ų | 53.4 | 7% | 0.068 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.5 | -47.6 | 177.3 | -176.8 | 64.5 | 0 | 0 | 0 | 111.3 | F83 L86 C90 S91 A92 L98 L99 | F83-L95 HydrophobicContact CE2-CD1 3.94Å; F83-L95 HydrophobicContact CZ-CD1 4.27Å; F83-L95 HydrophobicContact CZ-CD2 4.43Å; L86-L95 HydrophobicContact CD2-CD1 4.5Å; C90-L95 HydrophobicContact CB-CB 4.42Å; S91-L95 WeakPolarHBondContact O-CB 3.43Å; S91-L95 PolarHBondContact O-N 3.25Å; A92-L95 PolarHBondContact O-N 3.34Å; L95-L98 PolarHBondContact O-N 2.96Å; L95-L99 HydrophobicContact CD1-CD1 4.34Å; L95-L99 HydrophobicContact CD1-CG 4.4Å; L95-L99 HydrophobicContact CG-CD1 4.13Å; L95-L99 WeakPolarHBondContact O-CB 3.46Å; L95-L99 WeakPolarHBondContact O-CG 3.49Å; L95-L99 PolarHBondContact O-N 3.31Å |
| 96 | V | 76.4 | Confident | 78.4 | Confident | 6 Ų | 6 | 46.2 Ų | 46.2 | 4% | 0.036 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.9 | -42.3 | 177.3 | 166.7 | 0 | 0 | 0 | 0 | 111.1 | A92 L98 L99 N100 L783 | A92-V96 PolarHBondContact O-N 3.22Å; V96-L98 VanDerWaalsContact C-N 3.33Å; V96-L98 PolarHBondContact O-N 2.92Å; V96-L99 PolarHBondContact O-N 3.43Å; V96-N100 WeakPolarHBondContact O-CB 3.45Å; V96-N100 PolarHBondContact O-N 3.01Å; V96-L783 HydrophobicContact CG2-CD2 3.29Å; V96-L783 HydrophobicContact CG2-CG 4.02Å |
| 97 | K | 78.4 | Confident | 78.9 | Confident | 141 Ų | 141 | 47.4 Ų | 47.4 | 61% | 0.613 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -60.9 | -43.5 | 177.1 | -172.7 | 174.9 | -177 | 175 | 0 | 111.6 | Q93 E94 E101 | Q93-K97 WeakPolarHBondContact O-CB 3.42Å; Q93-K97 PolarHBondContact O-N 3.4Å; E94-K97 PolarHBondContact O-N 3.31Å; K97-E101 WeakPolarHBondContact O-CB 3.43Å; K97-E101 PolarHBondContact O-N 2.81Å |
| 98 | L | 81.1 | Confident | 79.6 | Confident | 14 Ų | 14 | 53.3 Ų | 53.3 | 7% | 0.073 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.4 | -49.3 | 178.2 | -176.9 | 71.9 | 0 | 0 | 0 | 111.8 | L86 E94 L95 V96 N100 E101 L102 V156 K159 T160 | L86-L98 HydrophobicContact CD1-CD2 4.37Å; L86-L98 HydrophobicContact CD2-CD2 3.93Å; E94-L98 VanDerWaalsContact O-CB 3.3Å; E94-L98 WeakPolarHBondContact O-CB 3.38Å; E94-L98 PolarHBondContact O-N 3.47Å; L95-L98 PolarHBondContact O-N 2.96Å; V96-L98 VanDerWaalsContact C-N 3.33Å; V96-L98 PolarHBondContact O-N 2.92Å; L98-N100 VanDerWaalsContact C-N 3.35Å; L98-N100 PolarHBondContact O-N 2.93Å; L98-E101 PolarHBondContact O-N 2.81Å; L98-L102 WeakPolarHBondContact O-CB 3.39Å; L98-L102 PolarHBondContact O-N 3.17Å; L98-V156 HydrophobicContact CD1-CG1 4.12Å; L98-V156 HydrophobicContact CD1-CG2 4.3Å; L98-V156 HydrophobicContact CD2-CG1 3.93Å; L98-V156 HydrophobicContact CG-CG1 4.26Å; L98-K159 HydrophobicContact CD1-CD 4.28Å; L98-T160 HydrophobicContact CD1-CG2 4.04Å; L98-T160 HydrophobicContact CD2-CG2 3.53Å; L98-T160 HydrophobicContact CG-CG2 4.44Å |
| 99 | L | 80.4 | Confident | 80.7 | Confident | 4 Ų | 4 | 50.8 Ų | 50.8 | 2% | 0.021 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.4 | -43.8 | 177.7 | -77.4 | 177.5 | 0 | 0 | 0 | 111.5 | I80 F83 L95 V96 E101 L102 F103 | I80-L99 HydrophobicContact CD1-CD2 4.19Å; F83-L99 HydrophobicContact CE2-CD1 4.01Å; F83-L99 HydrophobicContact CE2-CD2 3.8Å; F83-L99 HydrophobicContact CE2-CG 4.24Å; F83-L99 HydrophobicContact CZ-CD1 3.98Å; F83-L99 HydrophobicContact CZ-CD2 4.5Å; L95-L99 HydrophobicContact CD1-CD1 4.34Å; L95-L99 HydrophobicContact CD1-CG 4.4Å; L95-L99 HydrophobicContact CG-CD1 4.13Å; L95-L99 WeakPolarHBondContact O-CB 3.46Å; L95-L99 WeakPolarHBondContact O-CG 3.49Å; L95-L99 PolarHBondContact O-N 3.31Å; V96-L99 PolarHBondContact O-N 3.43Å; L99-E101 VanDerWaalsContact C-N 3.32Å; L99-E101 PolarHBondContact O-N 3.17Å; L99-L102 PolarHBondContact O-N 2.98Å; L99-F103 HydrophobicContact CB-CD2 4.16Å; L99-F103 HydrophobicContact CB-CE2 4.04Å; L99-F103 HydrophobicContact CD2-CE2 3.8Å; L99-F103 HydrophobicContact CD2-CZ 4.02Å; L99-F103 HydrophobicContact CG-CE2 4.38Å; L99-F103 WeakPolarHBondContact O-CB 3.38Å; L99-F103 WeakPolarHBondContact O-CD2 3.37Å; L99-F103 VanDerWaalsContact O-CG 3.31Å; L99-F103 WeakPolarHBondContact O-CG 3.33Å; L99-F103 PolarHBondContact O-N 3.25Å |
| 100 | N | 80.7 | Confident | 81.7 | Confident | 21 Ų | 21 | 47.1 Ų | 47.1 | 11% | 0.112 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.9 | -37.9 | 178.4 | -172.9 | 70.3 | 0 | 0 | 0 | 111.7 | V96 L98 A104 L648 G788 | V96-N100 WeakPolarHBondContact O-CB 3.45Å; V96-N100 PolarHBondContact O-N 3.01Å; L98-N100 VanDerWaalsContact C-N 3.35Å; L98-N100 PolarHBondContact O-N 2.93Å; N100-A104 WeakPolarHBondContact O-CB 3.33Å; N100-A104 PolarHBondContact O-N 3.2Å; N100-L648 HydrophobicContact CB-CD1 4.04Å; N100-L648 HydrophobicContact CB-CD2 4.4Å; N100-L648 VanDerWaalsContact CG-CD2 3.43Å; N100-L648 VanDerWaalsContact ND2-CD1 3.29Å; N100-L648 WeakPolarHBondContact ND2-CD1 3.5Å; N100-L648 WeakPolarHBondContact ND2-CD2 3.45Å; N100-G788 PolarHBondContact OD1-N 3.17Å |
| 101 | E | 83.2 | Confident | 82.7 | Confident | 51 Ų | 51 | 48.4 Ų | 48.4 | 24% | 0.238 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.2 | -43.7 | 174.3 | -165.7 | -176.7 | 165.6 | 0 | 0 | 112.1 | K97 L98 L99 A104 R105 Y155 K159 | K97-E101 WeakPolarHBondContact O-CB 3.43Å; K97-E101 PolarHBondContact O-N 2.81Å; L98-E101 PolarHBondContact O-N 2.81Å; L99-E101 VanDerWaalsContact C-N 3.32Å; L99-E101 PolarHBondContact O-N 3.17Å; E101-A104 PolarHBondContact O-N 3.44Å; E101-R105 WeakPolarHBondContact O-CG 3.34Å; E101-R105 PolarHBondContact O-N 3.39Å; E101-R105 VanDerWaalsContact O-N 3.13Å; E101-R105 IonicContact OE1-CZ 3.17Å; E101-R105 IonicContact OE1-NE 2.56Å; E101-R105 IonicContact OE1-NH2 3.78Å; E101-R105 PolarHBondContact OE1-NH2 3.23Å; E101-Y155 VanDerWaalsContact CD-CE1 3.43Å; E101-Y155 HydrophobicContact CG-CE1 4.28Å; E101-Y155 WeakPolarHBondContact OE1-CE1 3.11Å; E101-Y155 PolarHBondContact OE1-OH 2.94Å; E101-Y155 PolarHBondContact OE2-OH 2.96Å; E101-K159 IonicContact OE2-NZ 2.75Å; E101-K159 PolarHBondContact OE2-NZ 3.01Å |
| 102 | L | 86.7 | Confident | 83.8 | Confident | 3 Ų | 3 | 52.1 Ų | 52.1 | 2% | 0.016 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.3 | -51.3 | 177.1 | 178.6 | 64.2 | 0 | 0 | 0 | 111.2 | I80 L98 L99 A104 R105 F106 I153 V156 | I80-L102 HydrophobicContact CD1-CD2 3.65Å; I80-L102 HydrophobicContact CG1-CD2 4.44Å; L98-L102 WeakPolarHBondContact O-CB 3.39Å; L98-L102 PolarHBondContact O-N 3.17Å; L99-L102 PolarHBondContact O-N 2.98Å; L102-A104 VanDerWaalsContact C-N 3.32Å; L102-A104 PolarHBondContact O-N 3.31Å; L102-R105 WeakPolarHBondContact O-CA 3.46Å; L102-R105 WeakPolarHBondContact O-CB 3.31Å; L102-R105 PolarHBondContact O-N 3.45Å; L102-F106 HydrophobicContact CD1-CD1 4.37Å; L102-F106 HydrophobicContact CD1-CE1 3.65Å; L102-F106 HydrophobicContact CD1-CE2 4.19Å; L102-F106 HydrophobicContact CD1-CZ 3.54Å; L102-F106 HydrophobicContact CD2-CE2 4.19Å; L102-F106 HydrophobicContact CD2-CZ 4.18Å; L102-F106 HydrophobicContact CG-CD2 4.47Å; L102-F106 HydrophobicContact CG-CE1 4.25Å; L102-F106 HydrophobicContact CG-CE2 3.94Å; L102-F106 HydrophobicContact CG-CZ 3.82Å; L102-F106 PolarHBondContact O-N 2.9Å; L102-I153 HydrophobicContact CD1-CD1 3.92Å; L102-I153 HydrophobicContact CD2-CD1 3.66Å; L102-I153 HydrophobicContact CG-CD1 4.45Å; L102-V156 HydrophobicContact CB-CG2 4.26Å; L102-V156 HydrophobicContact CD1-CG2 3.84Å; L102-V156 HydrophobicContact CD2-CG2 4.18Å; L102-V156 HydrophobicContact CG-CG2 4.31Å |
| 103 | F | 87.4 | Confident | 85.1 | Confident | 1 Ų | 1 | 52 Ų | 52 | 0% | 0.004 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.9 | -29.9 | -179 | -64.3 | -41.2 | 0 | 0 | 0 | 112.4 | L99 R105 F106 D107 I120 Y125 I787 | L99-F103 HydrophobicContact CB-CD2 4.16Å; L99-F103 HydrophobicContact CB-CE2 4.04Å; L99-F103 HydrophobicContact CD2-CE2 3.8Å; L99-F103 HydrophobicContact CD2-CZ 4.02Å; L99-F103 HydrophobicContact CG-CE2 4.38Å; L99-F103 WeakPolarHBondContact O-CB 3.38Å; L99-F103 WeakPolarHBondContact O-CD2 3.37Å; L99-F103 VanDerWaalsContact O-CG 3.31Å; L99-F103 WeakPolarHBondContact O-CG 3.33Å; L99-F103 PolarHBondContact O-N 3.25Å; F103-R105 VanDerWaalsContact C-N 3.3Å; F103-R105 PolarHBondContact O-N 2.95Å; F103-F106 AromaticContact CD1-CD2 3.75Å; F103-F106 HydrophobicContact CD1-CD2 3.75Å; F103-F106 HydrophobicContact CD1-CE2 4.21Å; F103-F106 HydrophobicContact CE1-CD2 4.23Å; F103-F106 HydrophobicContact CE1-CE2 4.32Å; F103-F106 CarbonylContact O-C 3.34Å; F103-F106 PolarHBondContact O-N 3.5Å; F103-D107 WeakPolarHBondContact O-CB 3.48Å; F103-D107 VanDerWaalsContact O-CG 3.25Å; F103-D107 PolarHBondContact O-N 3.03Å; F103-I120 HydrophobicContact CB-CD1 4.32Å; F103-I120 HydrophobicContact CD1-CD1 4.46Å; F103-I120 HydrophobicContact CD2-CD1 3.89Å; F103-I120 HydrophobicContact CE2-CD1 4.22Å; F103-I120 HydrophobicContact CE2-CG2 3.82Å; F103-I120 HydrophobicContact CG-CD1 3.99Å; F103-I120 HydrophobicContact CZ-CG2 3.81Å; F103-Y125 AromaticContact CD1-CD2 3.67Å; F103-Y125 HydrophobicContact CD1-CD2 3.67Å; F103-Y125 HydrophobicContact CD1-CE2 4.41Å; F103-Y125 HydrophobicContact CE1-CD2 4.1Å; F103-Y125 HydrophobicContact CG-CD2 4.45Å; F103-I787 HydrophobicContact CB-CG2 4.14Å; F103-I787 HydrophobicContact CD2-CD1 4.06Å; F103-I787 HydrophobicContact CD2-CG2 3.72Å; F103-I787 HydrophobicContact CE2-CD1 4.03Å; F103-I787 HydrophobicContact CG-CG2 4.37Å |
| 104 | A | 84.3 | Confident | 86.1 | Confident | 35 Ų | 35 | 50.3 Ų | 50.3 | 29% | 0.289 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.5 | -34.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | N100 E101 L102 K108 | N100-A104 WeakPolarHBondContact O-CB 3.33Å; N100-A104 PolarHBondContact O-N 3.2Å; E101-A104 PolarHBondContact O-N 3.44Å; L102-A104 VanDerWaalsContact C-N 3.32Å; L102-A104 PolarHBondContact O-N 3.31Å; A104-K108 WeakPolarHBondContact O-CG 3.49Å; A104-K108 PolarHBondContact O-N 3.36Å |
| 105 | R | 88.1 | Confident | 86.8 | Confident | 83 Ų | 83 | 45.3 Ų | 45.3 | 31% | 0.313 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -67.7 | -42.9 | 170.8 | -67.6 | 175.4 | -172.8 | -143 | 2.9 | 110.8 | E101 L102 F103 D107 K108 L109 Y155 | E101-R105 WeakPolarHBondContact O-CG 3.34Å; E101-R105 PolarHBondContact O-N 3.39Å; E101-R105 VanDerWaalsContact O-N 3.13Å; E101-R105 IonicContact OE1-CZ 3.17Å; E101-R105 IonicContact OE1-NE 2.56Å; E101-R105 IonicContact OE1-NH2 3.78Å; E101-R105 PolarHBondContact OE1-NH2 3.23Å; L102-R105 WeakPolarHBondContact O-CA 3.46Å; L102-R105 WeakPolarHBondContact O-CB 3.31Å; L102-R105 PolarHBondContact O-N 3.45Å; F103-R105 VanDerWaalsContact C-N 3.3Å; F103-R105 PolarHBondContact O-N 2.95Å; R105-D107 VanDerWaalsContact C-N 3.34Å; R105-D107 PolarHBondContact O-N 2.77Å; R105-K108 WeakPolarHBondContact O-CB 3.26Å; R105-K108 PolarHBondContact O-N 2.85Å; R105-L109 WeakPolarHBondContact O-CG 3.24Å; R105-L109 PolarHBondContact O-N 3.38Å; R105-Y155 VanDerWaalsContact CZ-CD1 3.43Å; R105-Y155 VanDerWaalsContact CZ-CG 3.45Å; R105-Y155 VanDerWaalsContact NH2-CE1 3.27Å |
| 106 | F | 91.5 | Very high | 87.5 | Confident | 1 Ų | 1 | 46 Ų | 46 | 0% | 0.004 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.6 | -39.3 | 175.9 | -67.4 | -7.6 | 0 | 0 | 0 | 112.5 | L102 F103 K108 L109 A110 Y125 M145 M149 A152 M166 | L102-F106 HydrophobicContact CD1-CD1 4.37Å; L102-F106 HydrophobicContact CD1-CE1 3.65Å; L102-F106 HydrophobicContact CD1-CE2 4.19Å; L102-F106 HydrophobicContact CD1-CZ 3.54Å; L102-F106 HydrophobicContact CD2-CE2 4.19Å; L102-F106 HydrophobicContact CD2-CZ 4.18Å; L102-F106 HydrophobicContact CG-CD2 4.47Å; L102-F106 HydrophobicContact CG-CE1 4.25Å; L102-F106 HydrophobicContact CG-CE2 3.94Å; L102-F106 HydrophobicContact CG-CZ 3.82Å; L102-F106 PolarHBondContact O-N 2.9Å; F103-F106 AromaticContact CD1-CD2 3.75Å; F103-F106 HydrophobicContact CD1-CD2 3.75Å; F103-F106 HydrophobicContact CD1-CE2 4.21Å; F103-F106 HydrophobicContact CE1-CD2 4.23Å; F103-F106 HydrophobicContact CE1-CE2 4.32Å; F103-F106 CarbonylContact O-C 3.34Å; F103-F106 PolarHBondContact O-N 3.5Å; F106-K108 VanDerWaalsContact C-N 3.3Å; F106-K108 PolarHBondContact O-N 2.76Å; F106-L109 HydrophobicContact CD1-CD1 4.31Å; F106-L109 CarbonylContact O-C 3.5Å; F106-L109 PolarHBondContact O-N 3.16Å; F106-L109 VanDerWaalsContact O-N 3.16Å; F106-A110 WeakPolarHBondContact O-CB 3.17Å; F106-A110 PolarHBondContact O-N 2.89Å; F106-Y125 HydrophobicContact CB-CD2 4.09Å; F106-Y125 HydrophobicContact CB-CE1 4.38Å; F106-Y125 HydrophobicContact CB-CE2 3.75Å; F106-Y125 AromaticContact CD2-CD2 3.87Å; F106-Y125 HydrophobicContact CD2-CD2 3.87Å; F106-Y125 HydrophobicContact CD2-CE2 4.39Å; F106-Y125 AromaticContact CD2-CG 3.92Å; F106-Y125 HydrophobicContact CD2-CG 3.92Å; F106-M145 WeakPolarHBondContact O-CE 3.5Å; F106-M149 HydrophobicContact CB-CE 3.98Å; F106-M149 HydrophobicContact CD1-CE 4.16Å; F106-M149 HydrophobicContact CD1-CG 3.98Å; F106-M149 HydrophobicContact CD2-CE 3.57Å; F106-M149 HydrophobicContact CE1-CB 4.11Å; F106-M149 HydrophobicContact CE1-CG 3.94Å; F106-M149 HydrophobicContact CE2-CE 4.04Å; F106-M149 HydrophobicContact CG-CE 3.66Å; F106-M149 HydrophobicContact CG-CG 4.44Å; F106-M149 HydrophobicContact CZ-CB 4.36Å; F106-M149 HydrophobicContact CZ-CE 4.5Å; F106-M149 HydrophobicContact CZ-CG 4.36Å; F106-A152 HydrophobicContact CE1-CB 4Å; F106-M166 HydrophobicContact CE2-CE 3.82Å; F106-M166 HydrophobicContact CE2-SD 4.1Å; F106-M166 HydrophobicContact CZ-CE 3.62Å; F106-M166 HydrophobicContact CZ-SD 3.63Å |
| 107 | D | 88.9 | Confident | 88.2 | Confident | 29 Ų | 29 | 46.8 Ų | 46.8 | 16% | 0.155 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.2 | -36.1 | 175.1 | -72.2 | -15.6 | 0 | 0 | 0 | 112 | F103 R105 A110 A111 R117 Y125 | F103-D107 WeakPolarHBondContact O-CB 3.48Å; F103-D107 VanDerWaalsContact O-CG 3.25Å; F103-D107 PolarHBondContact O-N 3.03Å; R105-D107 VanDerWaalsContact C-N 3.34Å; R105-D107 PolarHBondContact O-N 2.77Å; D107-A110 PolarHBondContact O-N 3.38Å; D107-A111 PolarHBondContact O-N 2.95Å; D107-R117 WeakPolarHBondContact OD1-CD 3.32Å; D107-R117 IonicContact OD1-CZ 3.32Å; D107-R117 IonicContact OD1-NE 2.87Å; D107-R117 IonicContact OD1-NH1 2.72Å; D107-R117 PolarHBondContact OD1-NH1 3.46Å; D107-R117 IonicContact OD2-NH1 3.91Å; D107-R117 PolarHBondContact OD2-NH1 3.26Å; D107-Y125 PolarHBondContact OD1-OH 2.91Å |
| 108 | K | 89.6 | Confident | 88.7 | Confident | 153 Ų | 153 | 41 Ų | 41 | 67% | 0.665 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -66.2 | -41.9 | 172.5 | -71.1 | 174.7 | -177.1 | -179.3 | 0 | 111.7 | A104 R105 F106 A111 K112 | A104-K108 WeakPolarHBondContact O-CG 3.49Å; A104-K108 PolarHBondContact O-N 3.36Å; R105-K108 WeakPolarHBondContact O-CB 3.26Å; R105-K108 PolarHBondContact O-N 2.85Å; F106-K108 VanDerWaalsContact C-N 3.3Å; F106-K108 PolarHBondContact O-N 2.76Å; K108-A111 PolarHBondContact O-N 2.9Å; K108-K112 PolarHBondContact O-N 3.08Å |
| 109 | L | 93.3 | Very high | 89 | Confident | 33 Ų | 33 | 40.5 Ų | 40.5 | 17% | 0.173 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.5 | -39.7 | 175.6 | -64.9 | 176.5 | 0 | 0 | 0 | 111.4 | R105 F106 A111 K112 Y113 M145 A148 M149 A152 | R105-L109 WeakPolarHBondContact O-CG 3.24Å; R105-L109 PolarHBondContact O-N 3.38Å; F106-L109 HydrophobicContact CD1-CD1 4.31Å; F106-L109 CarbonylContact O-C 3.5Å; F106-L109 PolarHBondContact O-N 3.16Å; F106-L109 VanDerWaalsContact O-N 3.16Å; L109-A111 VanDerWaalsContact C-N 3.35Å; L109-A111 PolarHBondContact O-N 3.09Å; L109-K112 WeakPolarHBondContact O-CB 3.39Å; L109-K112 PolarHBondContact O-N 3.28Å; L109-K112 VanDerWaalsContact O-N 3.13Å; L109-Y113 HydrophobicContact CB-CD2 4.47Å; L109-Y113 HydrophobicContact CD2-CE2 4.27Å; L109-Y113 VanDerWaalsContact O-CD2 3.28Å; L109-Y113 WeakPolarHBondContact O-CD2 3.46Å; L109-Y113 PolarHBondContact O-N 2.97Å; L109-M145 HydrophobicContact CB-CE 3.83Å; L109-M145 HydrophobicContact CB-SD 3.39Å; L109-M145 WeakPolarHBondContact CB-SD 3.46Å; L109-A148 HydrophobicContact CD1-CB 3.93Å; L109-A148 HydrophobicContact CD2-CB 3.99Å; L109-M149 HydrophobicContact CD1-CG 4.36Å; L109-A152 HydrophobicContact CD1-CB 4.24Å |
| 110 | A | 92.1 | Very high | 89.2 | Confident | 4 Ų | 4 | 40.5 Ų | 40.5 | 3% | 0.033 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.8 | -46.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | F106 D107 K112 Y113 H114 Q115 M145 | F106-A110 WeakPolarHBondContact O-CB 3.17Å; F106-A110 PolarHBondContact O-N 2.89Å; D107-A110 PolarHBondContact O-N 3.38Å; A110-K112 VanDerWaalsContact C-N 3.34Å; A110-K112 PolarHBondContact O-N 3.02Å; A110-Y113 CarbonylContact O-C 3.51Å; A110-Y113 PolarHBondContact O-N 3.23Å; A110-H114 PolarHBondContact O-N 2.81Å; A110-Q115 HydrophobicContact CB-CB 3.9Å; A110-Q115 PolarHBondContact O-N 2.91Å; A110-M145 HydrophobicContact CB-CE 4.02Å |
| 111 | A | 90.3 | Very high | 89.3 | Confident | 63 Ų | 63 | 41.9 Ų | 41.9 | 52% | 0.521 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61.8 | -39.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | D107 K108 L109 | D107-A111 PolarHBondContact O-N 2.95Å; K108-A111 PolarHBondContact O-N 2.9Å; L109-A111 VanDerWaalsContact C-N 3.35Å; L109-A111 PolarHBondContact O-N 3.09Å |
| 112 | K | 93.8 | Very high | 89.1 | Confident | 133 Ų | 133 | 40.5 Ų | 40.5 | 58% | 0.578 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -65.6 | -38.5 | 178.2 | -177.4 | -176.6 | 177.3 | -168.5 | 0 | 112.9 | K108 L109 A110 | K108-K112 PolarHBondContact O-N 3.08Å; L109-K112 WeakPolarHBondContact O-CB 3.39Å; L109-K112 PolarHBondContact O-N 3.28Å; L109-K112 VanDerWaalsContact O-N 3.13Å; A110-K112 VanDerWaalsContact C-N 3.34Å; A110-K112 PolarHBondContact O-N 3.02Å |
| 113 | Y | 95 | Very high | 88.9 | Confident | 35 Ų | 35 | 42.1 Ų | 42.1 | 14% | 0.137 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 21.1 | -176.8 | -60.7 | -62.1 | 0 | 0 | 0 | 113.1 | L109 A110 Q115 C141 R144 M145 A148 | L109-Y113 HydrophobicContact CB-CD2 4.47Å; L109-Y113 HydrophobicContact CD2-CE2 4.27Å; L109-Y113 VanDerWaalsContact O-CD2 3.28Å; L109-Y113 WeakPolarHBondContact O-CD2 3.46Å; L109-Y113 PolarHBondContact O-N 2.97Å; A110-Y113 CarbonylContact O-C 3.51Å; A110-Y113 PolarHBondContact O-N 3.23Å; Y113-Q115 VanDerWaalsContact C-N 3.25Å; Y113-Q115 PolarHBondContact O-N 2.92Å; Y113-C141 WeakPolarHBondContact O-CB 3.38Å; Y113-R144 HydrophobicContact CD1-CB 3.92Å; Y113-R144 HydrophobicContact CE1-CB 3.74Å; Y113-M145 HydrophobicContact CD2-CB 3.98Å; Y113-M145 HydrophobicContact CD2-SD 3.97Å; Y113-M145 HydrophobicContact CG-CB 4.32Å; Y113-A148 HydrophobicContact CE2-CB 3.83Å |
| 114 | H | 93.3 | Very high | 89 | Confident | 114 Ų | 114 | 42.7 Ų | 42.7 | 53% | 0.528 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 37.3 | 175.4 | -54.1 | -74.1 | 0 | 0 | 0 | 114.3 | A110 | A110-H114 PolarHBondContact O-N 2.81Š|
| 115 | Q | 92.5 | Very high | 89.4 | Confident | 14 Ų | 14 | 41 Ų | 41 | 7% | 0.065 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 133.1 | 176.8 | -57.8 | -70.1 | -26.5 | 0 | 0 | 110.4 | A110 Y113 C127 C129 S142 M145 | A110-Q115 HydrophobicContact CB-CB 3.9Å; A110-Q115 PolarHBondContact O-N 2.91Å; Y113-Q115 VanDerWaalsContact C-N 3.25Å; Y113-Q115 PolarHBondContact O-N 2.92Å; Q115-C127 HydrophobicContact CB-CB 4.13Å; Q115-C129 VanDerWaalsContact OE1-N 3.09Å; Q115-S142 PolarHBondContact NE2-OG 3.16Å; Q115-M145 HydrophobicContact CG-CB 4.19Å; Q115-M145 HydrophobicContact CG-CG 4.04Å |
| 116 | L | 91.1 | Very high | 89.6 | Confident | 29 Ų | 29 | 37.3 Ų | 37.3 | 15% | 0.152 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 111.8 | 165.9 | -177.4 | 65.6 | 0 | 0 | 0 | 108.9 | I118 C127 I128 L131 Y187 | L116-I118 HydrophobicContact CD2-CD1 4.01Å; L116-I118 HydrophobicContact CG-CD1 4.14Å; L116-I118 PolarHBondContact O-N 2.87Å; L116-C127 CarbonylContact O-C 3.54Å; L116-C127 VanDerWaalsContact O-CA 3.26Å; L116-C127 WeakPolarHBondContact O-CA 3.39Å; L116-C127 WeakPolarHBondContact O-CB 2.96Å; L116-I128 PolarHBondContact N-O 3.34Å; L116-I128 PolarHBondContact O-N 3.19Å; L116-L131 HydrophobicContact CD2-CB 3.93Å; L116-Y187 HydrophobicContact CD2-CE1 3.97Å |
| 117 | R | 90.6 | Very high | 89.7 | Confident | 21 Ų | 21 | 37.2 Ų | 37.2 | 8% | 0.079 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 123.3 | 167.5 | -171 | -171.9 | 76.9 | -170.4 | 17.4 | 109.7 | D107 Y125 K791 | D107-R117 WeakPolarHBondContact OD1-CD 3.32Å; D107-R117 IonicContact OD1-CZ 3.32Å; D107-R117 IonicContact OD1-NE 2.87Å; D107-R117 IonicContact OD1-NH1 2.72Å; D107-R117 PolarHBondContact OD1-NH1 3.46Å; D107-R117 IonicContact OD2-NH1 3.91Å; D107-R117 PolarHBondContact OD2-NH1 3.26Å; R117-Y125 HydrophobicContact CB-CE1 4.46Å; R117-Y125 WeakPolarHBondContact CB-OH 3.39Å; R117-Y125 VanDerWaalsContact CD-CZ 3.48Å; R117-Y125 WeakPolarHBondContact CD-OH 3.33Å; R117-Y125 HydrophobicContact CG-CE1 4.01Å; R117-Y125 HydrophobicContact CG-CE2 3.89Å; R117-Y125 WeakPolarHBondContact CG-OH 3.42Å; R117-K791 PolarHBondContact NH2-O 3.39Å |
| 118 | I | 89.4 | Confident | 90 | Very high | 19 Ų | 19 | 35.9 Ų | 35.9 | 10% | 0.097 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | -61 | 175.9 | -53.7 | -58.1 | 0 | 0 | 0 | 109 | L116 Y126 I128 Y187 V189 | L116-I118 HydrophobicContact CD2-CD1 4.01Å; L116-I118 HydrophobicContact CG-CD1 4.14Å; L116-I118 PolarHBondContact O-N 2.87Å; I118-Y126 HydrophobicContact CB-CD1 3.7Å; I118-Y126 HydrophobicContact CB-CE1 3.77Å; I118-Y126 HydrophobicContact CG1-CD1 4.22Å; I118-Y126 HydrophobicContact CG1-CE1 3.91Å; I118-Y126 HydrophobicContact CG2-CD1 4.04Å; I118-Y126 HydrophobicContact CG2-CE1 3.89Å; I118-Y126 PolarHBondContact N-O 3.43Å; I118-I128 HydrophobicContact CD1-CD1 4.14Å; I118-I128 HydrophobicContact CD1-CG1 4.47Å; I118-I128 HydrophobicContact CG1-CB 4.5Å; I118-I128 HydrophobicContact CG1-CD1 3.92Å; I118-I128 HydrophobicContact CG1-CG1 4.02Å; I118-Y187 HydrophobicContact CD1-CD1 4.19Å; I118-Y187 HydrophobicContact CD1-CE1 3.93Å; I118-V189 HydrophobicContact CD1-CG1 4.09Å; I118-V189 HydrophobicContact CG1-CG1 4.48Å; I118-V189 HydrophobicContact CG1-CG2 4.46Å; I118-V189 HydrophobicContact CG2-CG2 4.16Å |
| 119 | K | 86.1 | Confident | 90.3 | Very high | 5 Ų | 5 | 28.6 Ų | 28.6 | 2% | 0.022 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 159.6 | -172 | -154.3 | 158.2 | -172.9 | 159.9 | 0 | 112.8 | L121 Y126 D188 T710 | K119-L121 HydrophobicContact CD-CD2 3.76Å; K119-L121 HydrophobicContact CG-CD2 3.91Å; K119-L121 HydrophobicContact CG-CG 4.31Å; K119-Y126 PolarHBondContact N-O 3.02Å; K119-Y126 PolarHBondContact O-N 3.04Å; K119-Y126 VanDerWaalsContact O-N 3.09Å; K119-D188 IonicContact NZ-OD2 2.99Å; K119-D188 PolarHBondContact NZ-OD2 3.46Å; K119-D188 VanDerWaalsContact NZ-OD2 3.17Å; K119-T710 PolarHBondContact NZ-O 3.39Å |
| 120 | I | 85.4 | Confident | 90.2 | Very high | 3 Ų | 3 | 27.2 Ų | 27.2 | 2% | 0.015 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 123.3 | 164.7 | -59.9 | 173 | 0 | 0 | 0 | 106.4 | F103 C124 Y125 I787 | F103-I120 HydrophobicContact CB-CD1 4.32Å; F103-I120 HydrophobicContact CD1-CD1 4.46Å; F103-I120 HydrophobicContact CD2-CD1 3.89Å; F103-I120 HydrophobicContact CE2-CD1 4.22Å; F103-I120 HydrophobicContact CE2-CG2 3.82Å; F103-I120 HydrophobicContact CG-CD1 3.99Å; F103-I120 HydrophobicContact CZ-CG2 3.81Å; I120-C124 WeakPolarHBondContact CA-O 3.49Å; I120-Y125 HydrophobicContact CD1-CD2 4.41Å; I120-Y125 HydrophobicContact CG1-CD2 4.15Å; I120-I787 HydrophobicContact CD1-CB 4.5Å; I120-I787 HydrophobicContact CD1-CG2 3.83Å |
| 121 | L | 83.3 | Confident | 90 | Very high | 50 Ų | 50 | 27.6 Ų | 27.6 | 26% | 0.262 | 15% | 0.148 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 85 | -177.3 | -65 | 177.3 | 0 | 0 | 0 | 108.3 | K119 D123 C124 I711 | K119-L121 HydrophobicContact CD-CD2 3.76Å; K119-L121 HydrophobicContact CG-CD2 3.91Å; K119-L121 HydrophobicContact CG-CG 4.31Å; L121-D123 PolarHBondContact O-N 2.81Å; L121-C124 HydrophobicContact CB-CB 4.39Å; L121-C124 PolarHBondContact N-O 2.87Å; L121-C124 WeakPolarHBondContact O-CB 3.49Å; L121-C124 PolarHBondContact O-N 2.93Å; L121-C124 VanDerWaalsContact O-N 3.1Å; L121-I711 HydrophobicContact CD2-CD1 3.98Å; L121-I711 HydrophobicContact CD2-CG1 4.04Å; L121-I711 HydrophobicContact CD2-CG2 4.31Å |
| 122 | G | 78.9 | Confident | 89.5 | Confident | 22 Ų | 22 | 27.2 Ų | 27.2 | 23% | 0.227 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.9 | -111.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 123 | D | 82.8 | Confident | 89.1 | Confident | 37 Ų | 37 | 28.6 Ų | 28.6 | 20% | 0.198 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -9.7 | 176.1 | 43.8 | -16.3 | 0 | 0 | 0 | 114.5 | D79 I80 F83 L121 | D79-D123 VanDerWaalsContact OD1-CG 3.3Å; I80-D123 HydrophobicContact CB-CB 4.25Å; I80-D123 HydrophobicContact CD1-CB 4.4Å; F83-D123 HydrophobicContact CB-CB 3.84Å; F83-D123 WeakPolarHBondContact CB-OD2 3.48Å; F83-D123 HydrophobicContact CD1-CB 3.49Å; F83-D123 VanDerWaalsContact CD1-CB 3.49Å; F83-D123 VanDerWaalsContact CD1-OD2 3.3Å; F83-D123 WeakPolarHBondContact CD1-OD2 3.16Å; F83-D123 HydrophobicContact CD2-CB 3.9Å; F83-D123 HydrophobicContact CE1-CB 3.97Å; F83-D123 HydrophobicContact CE2-CB 4.36Å; F83-D123 HydrophobicContact CG-CB 3.44Å; F83-D123 VanDerWaalsContact CG-CB 3.44Å; F83-D123 WeakPolarHBondContact CG-OD2 3.02Å; F83-D123 HydrophobicContact CZ-CB 4.38Å; L121-D123 PolarHBondContact O-N 2.81Å |
| 124 | C | 89.3 | Confident | 88.9 | Confident | 13 Ų | 13 | 34.3 Ų | 34.3 | 9% | 0.088 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 127.6 | -179.7 | -171.2 | 0 | 0 | 0 | 0 | 111.9 | A78 D79 I120 L121 | A78-C124 CarbonylContact O-C 3.52Å; A78-C124 WeakPolarHBondContact O-CA 3.46Å; D79-C124 HydrophobicContact CB-CB 4.45Å; I120-C124 WeakPolarHBondContact CA-O 3.49Å; L121-C124 HydrophobicContact CB-CB 4.39Å; L121-C124 PolarHBondContact N-O 2.87Å; L121-C124 WeakPolarHBondContact O-CB 3.49Å; L121-C124 PolarHBondContact O-N 2.93Å; L121-C124 VanDerWaalsContact O-N 3.1Å |
| 125 | Y | 92.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 126.6 | 170.3 | -170.1 | -81.2 | 0 | 0 | 0 | 110 | A78 F103 F106 D107 R117 I120 C127 M145 M149 | A78-Y125 PolarHBondContact N-O 2.74Å; A78-Y125 PolarHBondContact O-N 3.48Å; F103-Y125 AromaticContact CD1-CD2 3.67Å; F103-Y125 HydrophobicContact CD1-CD2 3.67Å; F103-Y125 HydrophobicContact CD1-CE2 4.41Å; F103-Y125 HydrophobicContact CE1-CD2 4.1Å; F103-Y125 HydrophobicContact CG-CD2 4.45Å; F106-Y125 HydrophobicContact CB-CD2 4.09Å; F106-Y125 HydrophobicContact CB-CE1 4.38Å; F106-Y125 HydrophobicContact CB-CE2 3.75Å; F106-Y125 AromaticContact CD2-CD2 3.87Å; F106-Y125 HydrophobicContact CD2-CD2 3.87Å; F106-Y125 HydrophobicContact CD2-CE2 4.39Å; F106-Y125 AromaticContact CD2-CG 3.92Å; F106-Y125 HydrophobicContact CD2-CG 3.92Å; D107-Y125 PolarHBondContact OD1-OH 2.91Å; R117-Y125 HydrophobicContact CB-CE1 4.46Å; R117-Y125 WeakPolarHBondContact CB-OH 3.39Å; R117-Y125 VanDerWaalsContact CD-CZ 3.48Å; R117-Y125 WeakPolarHBondContact CD-OH 3.33Å; R117-Y125 HydrophobicContact CG-CE1 4.01Å; R117-Y125 HydrophobicContact CG-CE2 3.89Å; R117-Y125 WeakPolarHBondContact CG-OH 3.42Å; I120-Y125 HydrophobicContact CD1-CD2 4.41Å; I120-Y125 HydrophobicContact CG1-CD2 4.15Å; Y125-C127 HydrophobicContact CE1-CB 4Å; Y125-M145 HydrophobicContact CE1-CE 4.38Å; Y125-M149 HydrophobicContact CD1-CE 3.35Å; Y125-M149 HydrophobicContact CE1-CE 3.78Å; Y125-M149 HydrophobicContact CG-CE 3.89Å |
| 126 | Y | 92.2 | Very high | 88.8 | Confident | 5 Ų | 5 | 34 Ų | 34 | 2% | 0.02 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 123.6 | -174.6 | 172.7 | -125.7 | 0 | 0 | 0 | 112.4 | I75 L76 F77 I118 K119 I128 V189 | I75-Y126 HydrophobicContact CG2-CE2 3.36Å; I75-Y126 WeakPolarHBondContact CG2-OH 3.19Å; L76-Y126 WeakPolarHBondContact O-CD2 3.37Å; F77-Y126 AromaticContact CD1-CD2 3.8Å; F77-Y126 HydrophobicContact CD1-CD2 3.8Å; F77-Y126 HydrophobicContact CD1-CG 4.07Å; F77-Y126 AromaticContact CD2-CD2 3.51Å; F77-Y126 HydrophobicContact CD2-CD2 3.51Å; F77-Y126 AromaticContact CD2-CE2 3.65Å; F77-Y126 HydrophobicContact CD2-CE2 3.65Å; F77-Y126 HydrophobicContact CD2-CG 4.49Å; F77-Y126 HydrophobicContact CE1-CD1 4.24Å; F77-Y126 AromaticContact CE1-CD2 3.61Å; F77-Y126 HydrophobicContact CE1-CD2 3.61Å; F77-Y126 HydrophobicContact CE1-CE2 4.22Å; F77-Y126 AromaticContact CE1-CG 3.65Å; F77-Y126 HydrophobicContact CE1-CG 3.65Å; F77-Y126 AromaticContact CE2-CD2 3.31Å; F77-Y126 HydrophobicContact CE2-CD2 3.31Å; F77-Y126 HydrophobicContact CE2-CE1 4.49Å; F77-Y126 AromaticContact CE2-CE2 3.16Å; F77-Y126 HydrophobicContact CE2-CE2 3.16Å; F77-Y126 HydrophobicContact CE2-CG 4.12Å; F77-Y126 AromaticContact CE2-CZ 3.78Å; F77-Y126 AromaticContact CG-CD2 3.75Å; F77-Y126 HydrophobicContact CG-CD2 3.75Å; F77-Y126 HydrophobicContact CG-CE2 4.36Å; F77-Y126 HydrophobicContact CG-CG 4.47Å; F77-Y126 HydrophobicContact CZ-CD1 4.02Å; F77-Y126 AromaticContact CZ-CD2 3.35Å; F77-Y126 HydrophobicContact CZ-CD2 3.35Å; F77-Y126 HydrophobicContact CZ-CE1 4.06Å; F77-Y126 AromaticContact CZ-CE2 3.49Å; F77-Y126 HydrophobicContact CZ-CE2 3.49Å; F77-Y126 VanDerWaalsContact CZ-CE2 3.49Å; F77-Y126 AromaticContact CZ-CG 3.67Å; F77-Y126 HydrophobicContact CZ-CG 3.67Å; F77-Y126 AromaticContact CZ-CZ 3.8Å; I118-Y126 HydrophobicContact CB-CD1 3.7Å; I118-Y126 HydrophobicContact CB-CE1 3.77Å; I118-Y126 HydrophobicContact CG1-CD1 4.22Å; I118-Y126 HydrophobicContact CG1-CE1 3.91Å; I118-Y126 HydrophobicContact CG2-CD1 4.04Å; I118-Y126 HydrophobicContact CG2-CE1 3.89Å; I118-Y126 PolarHBondContact N-O 3.43Å; K119-Y126 PolarHBondContact N-O 3.02Å; K119-Y126 PolarHBondContact O-N 3.04Å; K119-Y126 VanDerWaalsContact O-N 3.09Å; Y126-I128 HydrophobicContact CE2-CG1 4.23Å; Y126-I128 WeakPolarHBondContact OH-CD1 3.41Å; Y126-V189 HydrophobicContact CE1-CG2 3.55Å; Y126-V189 WeakPolarHBondContact OH-CG2 3.44Å |
| 127 | C | 94.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 161.2 | 179.9 | 63.4 | 0 | 0 | 0 | 0 | 113.4 | L76 Q115 L116 Y125 | L76-C127 PolarHBondContact N-O 3.08Å; L76-C127 PolarHBondContact O-N 3.27Å; Q115-C127 HydrophobicContact CB-CB 4.13Å; L116-C127 CarbonylContact O-C 3.54Å; L116-C127 VanDerWaalsContact O-CA 3.26Å; L116-C127 WeakPolarHBondContact O-CA 3.39Å; L116-C127 WeakPolarHBondContact O-CB 2.96Å; Y125-C127 HydrophobicContact CE1-CB 4Å |
| 128 | I | 95.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 139.1 | 179.3 | -63.9 | 172.6 | 0 | 0 | 0 | 110.5 | V73 S74 I75 L116 I118 Y126 L131 V175 V189 | V73-I128 HydrophobicContact CB-CG2 3.81Å; V73-I128 HydrophobicContact CG1-CG2 4.41Å; V73-I128 HydrophobicContact CG2-CG2 4.18Å; S74-I128 CarbonylContact O-C 3.59Å; S74-I128 WeakPolarHBondContact O-CA 3.45Å; I75-I128 HydrophobicContact CG1-CG1 4.32Å; L116-I128 PolarHBondContact N-O 3.34Å; L116-I128 PolarHBondContact O-N 3.19Å; I118-I128 HydrophobicContact CD1-CD1 4.14Å; I118-I128 HydrophobicContact CD1-CG1 4.47Å; I118-I128 HydrophobicContact CG1-CB 4.5Å; I118-I128 HydrophobicContact CG1-CD1 3.92Å; I118-I128 HydrophobicContact CG1-CG1 4.02Å; Y126-I128 HydrophobicContact CE2-CG1 4.23Å; Y126-I128 WeakPolarHBondContact OH-CD1 3.41Å; I128-L131 HydrophobicContact CB-CD1 3.93Å; I128-L131 HydrophobicContact CB-CG 4.45Å; I128-L131 HydrophobicContact CD1-CD1 3.61Å; I128-L131 HydrophobicContact CG1-CD1 4.39Å; I128-L131 HydrophobicContact CG2-CB 4.26Å; I128-L131 HydrophobicContact CG2-CD1 3.62Å; I128-L131 HydrophobicContact CG2-CG 3.74Å; I128-V175 HydrophobicContact CD1-CG1 4.43Å; I128-V189 HydrophobicContact CD1-CB 4.13Å; I128-V189 HydrophobicContact CD1-CG1 3.78Å; I128-V189 HydrophobicContact CD1-CG2 3.74Å |
| 129 | C | 95.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 142 | 166.8 | -162.1 | 0 | 0 | 0 | 0 | 110.8 | V73 S74 Q115 H138 S142 | V73-C129 WeakPolarHBondContact CA-O 3.46Å; V73-C129 WeakPolarHBondContact CB-O 3.49Å; S74-C129 PolarHBondContact N-O 3.4Å; S74-C129 PolarHBondContact O-N 2.84Å; Q115-C129 VanDerWaalsContact OE1-N 3.09Å; C129-H138 HydrophobicContact CB-CB 4.04Å; C129-H138 VanDerWaalsContact SG-CA 3.59Å; C129-S142 WeakPolarHBondContact CB-OG 3.34Å |
| 130 | G | 90.9 | Very high | 89.9 | Confident | 5 Ų | 5 | 33.8 Ų | 33.8 | 5% | 0.052 | 18% | 0.18 | C | C | . | . | S | Bend | trans | 92.2 | 13.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114 | E133 | G130-E133 CarbonylContact C-O 3.53Å; G130-E133 WeakPolarHBondContact CA-O 3.27Å |
| 131 | L | 87.8 | Confident | 90.3 | Very high | 11 Ų | 11 | 33.7 Ų | 33.7 | 6% | 0.058 | 18% | 0.179 | C | C | . | . | trans | -125.6 | 142.2 | 173 | -72.9 | -177.9 | 0 | 0 | 0 | 111.4 | H70 V73 L116 I128 E133 V175 V189 | H70-L131 HydrophobicContact CB-CD2 3.39Å; H70-L131 WeakPolarHBondContact CD2-CD2 3.32Å; H70-L131 WeakPolarHBondContact ND1-CD2 3.36Å; V73-L131 HydrophobicContact CG1-CD2 4.27Å; V73-L131 HydrophobicContact CG1-CG 4.17Å; L116-L131 HydrophobicContact CD2-CB 3.93Å; I128-L131 HydrophobicContact CB-CD1 3.93Å; I128-L131 HydrophobicContact CB-CG 4.45Å; I128-L131 HydrophobicContact CD1-CD1 3.61Å; I128-L131 HydrophobicContact CG1-CD1 4.39Å; I128-L131 HydrophobicContact CG2-CB 4.26Å; I128-L131 HydrophobicContact CG2-CD1 3.62Å; I128-L131 HydrophobicContact CG2-CG 3.74Å; L131-E133 VanDerWaalsContact C-N 3.28Å; L131-V175 HydrophobicContact CD1-CG2 4.01Å; L131-V175 HydrophobicContact CD2-CG2 4.34Å; L131-V189 HydrophobicContact CD1-CG1 4.18Å | ||
| 132 | P | 79.6 | Confident | 91 | Very high | 56 Ų | 56 | 31.3 Ų | 31.3 | 36% | 0.364 | 17% | 0.167 | S | C | . | . | S | Bend | cis | -75.9 | -13.8 | -11.6 | 32.4 | -34.6 | 0 | 0 | 0 | 112.9 | ||
| 133 | E | 86.1 | Confident | 91.8 | Very high | 161 Ų | 161 | 30.2 Ų | 30.2 | 75% | 0.752 | 16% | 0.156 | S | C | * | . | S | Bend | trans | -97.4 | 131 | -179.6 | -67.5 | 176 | -172 | 0 | 0 | 110.4 | G130 L131 | G130-E133 CarbonylContact C-O 3.53Å; G130-E133 WeakPolarHBondContact CA-O 3.27Å; L131-E133 VanDerWaalsContact C-N 3.28Å |
| 134 | Y | 89.5 | Confident | 92.4 | Very high | 156 Ų | 156 | 32.8 Ų | 32.8 | 61% | 0.612 | 16% | 0.163 | S | C | * | . | trans | -63.4 | 144 | 177.7 | 172.2 | -102.5 | 0 | 0 | 0 | 111.5 | N72 | N72-Y134 HydrophobicContact CB-CD2 4.45Å; N72-Y134 HydrophobicContact CB-CE2 3.73Å | ||
| 135 | R | 92 | Very high | 92.7 | Very high | 75 Ų | 75 | 32.2 Ų | 32.2 | 28% | 0.283 | 16% | 0.159 | S | C | . | . | trans | -147.4 | 132.3 | 179.7 | 174.4 | 171.4 | 165.5 | 84 | -3.8 | 109.6 | D137 H138 C141 | R135-D137 WeakPolarHBondContact CG-OD1 3.46Å; R135-D137 IonicContact CZ-OD1 3.33Å; R135-D137 IonicContact CZ-OD2 3.56Å; R135-D137 IonicContact NE-OD1 2.69Å; R135-D137 PolarHBondContact NE-OD1 3.4Å; R135-D137 IonicContact NE-OD2 3.51Å; R135-D137 IonicContact NH1-OD1 3.46Å; R135-D137 PolarHBondContact NH1-OD1 2.83Å; R135-D137 VanDerWaalsContact NH1-OD1 3.13Å; R135-D137 IonicContact NH1-OD2 2.68Å; R135-D137 IonicContact NH2-OD1 2.76Å; R135-D137 PolarHBondContact NH2-OD1 3.47Å; R135-D137 VanDerWaalsContact NH2-OD1 3.11Å; R135-D137 IonicContact NH2-OD2 2.8Å; R135-D137 PolarHBondContact NH2-OD2 2.89Å; R135-H138 WeakPolarHBondContact O-CB 3.19Å; R135-H138 PolarHBondContact O-CD2 3.49Å; R135-C141 PolarHBondContact NE-SG 3.49Å; R135-C141 VanDerWaalsContact NE-SG 3.43Å; R135-C141 PolarHBondContact NH2-SG 3.4Å | ||
| 136 | G | 91.3 | Very high | 92.9 | Very high | 46 Ų | 46 | 32.2 Ų | 32.2 | 47% | 0.474 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -33.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | H138 | G136-H138 VanDerWaalsContact C-N 3.27Å; G136-H138 PolarHBondContact O-CD2 2.91Å; G136-H138 PolarHBondContact O-N 2.83Å |
| 137 | D | 93.7 | Very high | 93 | Very high | 57 Ų | 57 | 34 Ų | 34 | 31% | 0.305 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | 34.2 | 179.2 | 63.7 | -31.3 | 0 | 0 | 0 | 112.5 | R135 A139 A140 C141 R144 | R135-D137 WeakPolarHBondContact CG-OD1 3.46Å; R135-D137 IonicContact CZ-OD1 3.33Å; R135-D137 IonicContact CZ-OD2 3.56Å; R135-D137 IonicContact NE-OD1 2.69Å; R135-D137 PolarHBondContact NE-OD1 3.4Å; R135-D137 IonicContact NE-OD2 3.51Å; R135-D137 IonicContact NH1-OD1 3.46Å; R135-D137 PolarHBondContact NH1-OD1 2.83Å; R135-D137 VanDerWaalsContact NH1-OD1 3.13Å; R135-D137 IonicContact NH1-OD2 2.68Å; R135-D137 IonicContact NH2-OD1 2.76Å; R135-D137 PolarHBondContact NH2-OD1 3.47Å; R135-D137 VanDerWaalsContact NH2-OD1 3.11Å; R135-D137 IonicContact NH2-OD2 2.8Å; R135-D137 PolarHBondContact NH2-OD2 2.89Å; D137-A139 PolarHBondContact O-N 3.22Å; D137-A140 PolarHBondContact O-N 3.27Å; D137-C141 PolarHBondContact O-N 3.22Å; D137-C141 VanDerWaalsContact O-N 3.08Å; D137-R144 IonicContact OD2-NH2 3.23Å |
| 138 | H | 95.6 | Very high | 93.1 | Very high | 9 Ų | 9 | 34.8 Ų | 34.8 | 4% | 0.042 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.5 | -43.2 | -178.8 | 60 | 89 | 0 | 0 | 0 | 112.5 | N72 S74 C129 R135 G136 C141 S142 | N72-H138 PolarHBondContact O-CD2 3.44Å; N72-H138 PolarHBondContact O-NE2 2.82Å; S74-H138 PolarHBondContact N-ND1 3.28Å; S74-H138 PolarHBondContact OG-ND1 3.17Å; C129-H138 HydrophobicContact CB-CB 4.04Å; C129-H138 VanDerWaalsContact SG-CA 3.59Å; R135-H138 WeakPolarHBondContact O-CB 3.19Å; R135-H138 PolarHBondContact O-CD2 3.49Å; G136-H138 VanDerWaalsContact C-N 3.27Å; G136-H138 PolarHBondContact O-CD2 2.91Å; G136-H138 PolarHBondContact O-N 2.83Å; H138-C141 PolarHBondContact O-N 2.76Å; H138-S142 PolarHBondContact O-N 2.65Å; H138-S142 PolarHBondContact O-OG 3.39Å |
| 139 | A | 95.9 | Very high | 93 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.1 | -46.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S74 D137 C141 S142 I143 T215 C218 L219 | S74-A139 WeakPolarHBondContact OG-CA 3.38Å; S74-A139 PolarHBondContact OG-N 3.16Å; D137-A139 PolarHBondContact O-N 3.22Å; A139-C141 VanDerWaalsContact C-N 3.32Å; A139-C141 PolarHBondContact O-N 3.06Å; A139-S142 PolarHBondContact O-N 3.3Å; A139-S142 VanDerWaalsContact O-N 3.16Å; A139-I143 PolarHBondContact O-N 3.31Å; A139-T215 HydrophobicContact CB-CG2 4.15Å; A139-C218 HydrophobicContact CB-CB 3.67Å; A139-L219 HydrophobicContact CB-CD2 3.74Å; A139-L219 HydrophobicContact CB-CG 4.48Å |
| 140 | A | 94.9 | Very high | 92.8 | Very high | 3 Ų | 3 | 36 Ų | 36 | 3% | 0.025 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.1 | -37.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | D137 R144 L219 E222 F223 | D137-A140 PolarHBondContact O-N 3.27Å; A140-R144 WeakPolarHBondContact O-CB 3.47Å; A140-R144 VanDerWaalsContact O-CG 3.32Å; A140-R144 WeakPolarHBondContact O-CG 3.49Å; A140-R144 PolarHBondContact O-N 2.93Å; A140-R144 VanDerWaalsContact O-N 3.12Å; A140-R144 PolarHBondContact O-NE 3.24Å; A140-L219 HydrophobicContact CB-CD2 4.48Å; A140-E222 VanDerWaalsContact CB-OE2 3.29Å; A140-E222 WeakPolarHBondContact CB-OE2 3.46Å; A140-F223 HydrophobicContact CB-CE2 4.02Å |
| 141 | C | 95.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.007 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62 | -45.5 | 171.4 | -85.2 | 0 | 0 | 0 | 0 | 112.7 | Y113 R135 D137 H138 A139 R144 M145 | Y113-C141 WeakPolarHBondContact O-CB 3.38Å; R135-C141 PolarHBondContact NE-SG 3.49Å; R135-C141 VanDerWaalsContact NE-SG 3.43Å; R135-C141 PolarHBondContact NH2-SG 3.4Å; D137-C141 PolarHBondContact O-N 3.22Å; D137-C141 VanDerWaalsContact O-N 3.08Å; H138-C141 PolarHBondContact O-N 2.76Å; A139-C141 VanDerWaalsContact C-N 3.32Å; A139-C141 PolarHBondContact O-N 3.06Å; C141-R144 PolarHBondContact O-N 2.9Å; C141-R144 PolarHBondContact SG-NH2 3.41Å; C141-R144 VanDerWaalsContact SG-NH2 3.44Å; C141-M145 WeakPolarHBondContact O-CB 3.41Å; C141-M145 PolarHBondContact O-N 3.36Å |
| 142 | S | 96.6 | Very high | 93 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.4 | -38.9 | 179.8 | -65 | 0 | 0 | 0 | 0 | 112.4 | S74 L76 Q115 C129 H138 A139 M145 G146 | S74-S142 WeakPolarHBondContact CB-OG 3.44Å; L76-S142 WeakPolarHBondContact CD1-O 3.48Å; Q115-S142 PolarHBondContact NE2-OG 3.16Å; C129-S142 WeakPolarHBondContact CB-OG 3.34Å; H138-S142 PolarHBondContact O-N 2.65Å; H138-S142 PolarHBondContact O-OG 3.39Å; A139-S142 PolarHBondContact O-N 3.3Å; A139-S142 VanDerWaalsContact O-N 3.16Å; S142-M145 WeakPolarHBondContact O-CB 3.4Å; S142-M145 PolarHBondContact O-N 3.07Å; S142-G146 PolarHBondContact O-N 3Å |
| 143 | I | 95.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.2 | -45.2 | 175.6 | -66.6 | -179.5 | 0 | 0 | 0 | 111.7 | A139 M145 G146 L147 I211 T215 L219 F223 V247 | A139-I143 PolarHBondContact O-N 3.31Å; I143-M145 VanDerWaalsContact C-N 3.27Å; I143-M145 PolarHBondContact O-N 3.35Å; I143-G146 PolarHBondContact O-N 3.21Å; I143-G146 VanDerWaalsContact O-N 3.14Å; I143-L147 HydrophobicContact CG2-CD1 4.21Å; I143-L147 HydrophobicContact CG2-CG 4.45Å; I143-L147 WeakPolarHBondContact O-CG 3.47Å; I143-L147 PolarHBondContact O-N 3.19Å; I143-I211 HydrophobicContact CD1-CD1 4.21Å; I143-I211 HydrophobicContact CD1-CG2 4Å; I143-I211 HydrophobicContact CG1-CG2 4.16Å; I143-T215 HydrophobicContact CD1-CG2 4.43Å; I143-L219 HydrophobicContact CD1-CD1 3.3Å; I143-L219 HydrophobicContact CD1-CD2 3.44Å; I143-L219 VanDerWaalsContact CD1-CD2 3.44Å; I143-L219 HydrophobicContact CD1-CG 3.95Å; I143-L219 HydrophobicContact CG1-CD2 4.41Å; I143-F223 HydrophobicContact CB-CZ 4.49Å; I143-F223 HydrophobicContact CD1-CD2 4.45Å; I143-F223 HydrophobicContact CG2-CD1 3.99Å; I143-F223 HydrophobicContact CG2-CE1 3.88Å; I143-F223 HydrophobicContact CG2-CG 4.36Å; I143-F223 HydrophobicContact CG2-CZ 4.18Å; I143-V247 HydrophobicContact CD1-CG2 4.04Å; I143-V247 HydrophobicContact CG2-CG1 4.05Å; I143-V247 HydrophobicContact CG2-CG2 3.94Å |
| 144 | R | 95.8 | Very high | 93.4 | Very high | 91 Ų | 91 | 33.9 Ų | 33.9 | 34% | 0.343 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -60.7 | -37.8 | 176.4 | -73.5 | -178.9 | -71.2 | 179.3 | -4.5 | 112.3 | Y113 D137 A140 C141 A148 F223 | Y113-R144 HydrophobicContact CD1-CB 3.92Å; Y113-R144 HydrophobicContact CE1-CB 3.74Å; D137-R144 IonicContact OD2-NH2 3.23Å; A140-R144 WeakPolarHBondContact O-CB 3.47Å; A140-R144 VanDerWaalsContact O-CG 3.32Å; A140-R144 WeakPolarHBondContact O-CG 3.49Å; A140-R144 PolarHBondContact O-N 2.93Å; A140-R144 VanDerWaalsContact O-N 3.12Å; A140-R144 PolarHBondContact O-NE 3.24Å; C141-R144 PolarHBondContact O-N 2.9Å; C141-R144 PolarHBondContact SG-NH2 3.41Å; C141-R144 VanDerWaalsContact SG-NH2 3.44Å; R144-A148 WeakPolarHBondContact O-CB 3.36Å; R144-A148 PolarHBondContact O-N 2.89Å; R144-A148 VanDerWaalsContact O-N 3.09Å; R144-F223 HydrophobicContact CG-CE1 4.47Å; R144-F223 HydrophobicContact CG-CZ 3.97Å |
| 145 | M | 95.7 | Very high | 93 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.1 | -50.6 | 171.8 | 175.9 | 62.1 | 170.3 | 0 | 0 | 111.3 | L76 F106 L109 A110 Y113 Q115 Y125 C141 S142 I143 L147 A148 M149 | L76-M145 HydrophobicContact CD1-CB 4.19Å; L76-M145 HydrophobicContact CD1-CG 4.04Å; F106-M145 WeakPolarHBondContact O-CE 3.5Å; L109-M145 HydrophobicContact CB-CE 3.83Å; L109-M145 HydrophobicContact CB-SD 3.39Å; L109-M145 WeakPolarHBondContact CB-SD 3.46Å; A110-M145 HydrophobicContact CB-CE 4.02Å; Y113-M145 HydrophobicContact CD2-CB 3.98Å; Y113-M145 HydrophobicContact CD2-SD 3.97Å; Y113-M145 HydrophobicContact CG-CB 4.32Å; Q115-M145 HydrophobicContact CG-CB 4.19Å; Q115-M145 HydrophobicContact CG-CG 4.04Å; Y125-M145 HydrophobicContact CE1-CE 4.38Å; C141-M145 WeakPolarHBondContact O-CB 3.41Å; C141-M145 PolarHBondContact O-N 3.36Å; S142-M145 WeakPolarHBondContact O-CB 3.4Å; S142-M145 PolarHBondContact O-N 3.07Å; I143-M145 VanDerWaalsContact C-N 3.27Å; I143-M145 PolarHBondContact O-N 3.35Å; M145-L147 PolarHBondContact O-N 3.24Å; M145-A148 PolarHBondContact O-N 2.86Å; M145-A148 VanDerWaalsContact O-N 3.16Å; M145-M149 HydrophobicContact CE-CE 3.38Å; M145-M149 HydrophobicContact CE-CG 3.96Å; M145-M149 HydrophobicContact CE-SD 3.7Å; M145-M149 HydrophobicContact CG-CG 4.45Å; M145-M149 HydrophobicContact CG-SD 3.97Å; M145-M149 WeakPolarHBondContact O-CG 3.41Å; M145-M149 PolarHBondContact O-N 3.32Å; M145-M149 HydrophobicContact SD-CG 4.19Å; M145-M149 HydrophobicContact SD-SD 4.27Å |
| 146 | G | 95.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -57.6 | -44.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | S142 I143 M149 V150 | S142-G146 PolarHBondContact O-N 3Å; I143-G146 PolarHBondContact O-N 3.21Å; I143-G146 VanDerWaalsContact O-N 3.14Å; G146-M149 PolarHBondContact O-N 3.04Å; G146-V150 WeakPolarHBondContact O-CG2 3.37Å; G146-V150 PolarHBondContact O-N 3.47Å; G146-V150 VanDerWaalsContact O-N 3.08Å |
| 147 | L | 94.9 | Very high | 92.1 | Very high | 44 Ų | 44 | 27.5 Ų | 27.5 | 23% | 0.23 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.2 | -45.8 | 175 | -67.9 | 173.3 | 0 | 0 | 0 | 111.4 | I143 M145 M149 V150 D151 V209 V249 | I143-L147 HydrophobicContact CG2-CD1 4.21Å; I143-L147 HydrophobicContact CG2-CG 4.45Å; I143-L147 WeakPolarHBondContact O-CG 3.47Å; I143-L147 PolarHBondContact O-N 3.19Å; M145-L147 PolarHBondContact O-N 3.24Å; L147-M149 VanDerWaalsContact C-N 3.29Å; L147-M149 PolarHBondContact O-N 3.16Å; L147-V150 PolarHBondContact O-N 3.03Å; L147-D151 PolarHBondContact O-N 3Å; L147-V209 HydrophobicContact CD2-CG2 3.82Å; L147-V209 HydrophobicContact CG-CG2 4.08Å; L147-V249 HydrophobicContact CD2-CG2 3.81Å |
| 148 | A | 95.3 | Very high | 91.7 | Very high | 15 Ų | 15 | 31 Ų | 31 | 12% | 0.124 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.2 | -29.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L109 Y113 R144 M145 D151 A152 | L109-A148 HydrophobicContact CD1-CB 3.93Å; L109-A148 HydrophobicContact CD2-CB 3.99Å; Y113-A148 HydrophobicContact CE2-CB 3.83Å; R144-A148 WeakPolarHBondContact O-CB 3.36Å; R144-A148 PolarHBondContact O-N 2.89Å; R144-A148 VanDerWaalsContact O-N 3.09Å; M145-A148 PolarHBondContact O-N 2.86Å; M145-A148 VanDerWaalsContact O-N 3.16Å; A148-D151 PolarHBondContact O-N 3.44Å; A148-A152 VanDerWaalsContact O-CB 3.23Å; A148-A152 WeakPolarHBondContact O-CB 3.47Å; A148-A152 PolarHBondContact O-N 3.13Å |
| 149 | M | 94.8 | Very high | 91 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -69.6 | -42.1 | 173.9 | -74.7 | 173 | 129.2 | 0 | 0 | 111.9 | L76 A78 F106 L109 Y125 M145 G146 L147 D151 A152 I153 M166 | L76-M149 HydrophobicContact CD2-CE 4.48Å; L76-M149 HydrophobicContact CD2-SD 3.82Å; A78-M149 HydrophobicContact CB-CE 4.16Å; A78-M149 HydrophobicContact CB-SD 3.9Å; F106-M149 HydrophobicContact CB-CE 3.98Å; F106-M149 HydrophobicContact CD1-CE 4.16Å; F106-M149 HydrophobicContact CD1-CG 3.98Å; F106-M149 HydrophobicContact CD2-CE 3.57Å; F106-M149 HydrophobicContact CE1-CB 4.11Å; F106-M149 HydrophobicContact CE1-CG 3.94Å; F106-M149 HydrophobicContact CE2-CE 4.04Å; F106-M149 HydrophobicContact CG-CE 3.66Å; F106-M149 HydrophobicContact CG-CG 4.44Å; F106-M149 HydrophobicContact CZ-CB 4.36Å; F106-M149 HydrophobicContact CZ-CE 4.5Å; F106-M149 HydrophobicContact CZ-CG 4.36Å; L109-M149 HydrophobicContact CD1-CG 4.36Å; Y125-M149 HydrophobicContact CD1-CE 3.35Å; Y125-M149 HydrophobicContact CE1-CE 3.78Å; Y125-M149 HydrophobicContact CG-CE 3.89Å; M145-M149 HydrophobicContact CE-CE 3.38Å; M145-M149 HydrophobicContact CE-CG 3.96Å; M145-M149 HydrophobicContact CE-SD 3.7Å; M145-M149 HydrophobicContact CG-CG 4.45Å; M145-M149 HydrophobicContact CG-SD 3.97Å; M145-M149 WeakPolarHBondContact O-CG 3.41Å; M145-M149 PolarHBondContact O-N 3.32Å; M145-M149 HydrophobicContact SD-CG 4.19Å; M145-M149 HydrophobicContact SD-SD 4.27Å; G146-M149 PolarHBondContact O-N 3.04Å; L147-M149 VanDerWaalsContact C-N 3.29Å; L147-M149 PolarHBondContact O-N 3.16Å; M149-D151 VanDerWaalsContact C-N 3.28Å; M149-D151 PolarHBondContact O-N 3.16Å; M149-A152 PolarHBondContact O-N 2.8Å; M149-I153 PolarHBondContact O-N 3.34Å; M149-M166 HydrophobicContact CB-SD 3.82Å |
| 150 | V | 92.3 | Very high | 90 | Very high | 26 Ų | 26 | 37.3 Ų | 37.3 | 16% | 0.158 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.7 | -39.3 | 172.7 | 170.7 | 0 | 0 | 0 | 0 | 110.9 | G146 L147 I153 M166 V168 | G146-V150 WeakPolarHBondContact O-CG2 3.37Å; G146-V150 PolarHBondContact O-N 3.47Å; G146-V150 VanDerWaalsContact O-N 3.08Å; L147-V150 PolarHBondContact O-N 3.03Å; V150-I153 WeakPolarHBondContact O-CG2 3.49Å; V150-M166 HydrophobicContact CG2-CB 4.43Å; V150-V168 HydrophobicContact CG2-CG2 3.94Å |
| 151 | D | 91.3 | Very high | 89.3 | Confident | 116 Ų | 116 | 45.1 Ų | 45.1 | 62% | 0.62 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -69.2 | -40.6 | 174 | -68 | -22.9 | 0 | 0 | 0 | 111.6 | L147 A148 M149 I153 S154 | L147-D151 PolarHBondContact O-N 3Å; A148-D151 PolarHBondContact O-N 3.44Å; M149-D151 VanDerWaalsContact C-N 3.28Å; M149-D151 PolarHBondContact O-N 3.16Å; D151-I153 VanDerWaalsContact C-N 3.32Å; D151-I153 PolarHBondContact O-N 3.01Å; D151-S154 WeakPolarHBondContact O-CB 3.4Å; D151-S154 PolarHBondContact O-N 3.47Å; D151-S154 PolarHBondContact O-OG 3.37Å |
| 152 | A | 90.4 | Very high | 88.5 | Confident | 20 Ų | 20 | 47 Ų | 47 | 17% | 0.165 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.5 | -26.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114 | F106 L109 A148 M149 S154 Y155 | F106-A152 HydrophobicContact CE1-CB 4Å; L109-A152 HydrophobicContact CD1-CB 4.24Å; A148-A152 VanDerWaalsContact O-CB 3.23Å; A148-A152 WeakPolarHBondContact O-CB 3.47Å; A148-A152 PolarHBondContact O-N 3.13Å; M149-A152 PolarHBondContact O-N 2.8Å; A152-S154 PolarHBondContact O-N 3.34Å; A152-Y155 WeakPolarHBondContact O-CB 3.3Å; A152-Y155 PolarHBondContact O-N 3.01Å |
| 153 | I | 89.5 | Confident | 87.9 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -19.3 | 177.2 | -155.2 | 62.7 | 0 | 0 | 0 | 112.3 | I80 L102 M149 V150 D151 Y155 V156 R157 M166 | I80-I153 HydrophobicContact CG1-CD1 4.44Å; L102-I153 HydrophobicContact CD1-CD1 3.92Å; L102-I153 HydrophobicContact CD2-CD1 3.66Å; L102-I153 HydrophobicContact CG-CD1 4.45Å; M149-I153 PolarHBondContact O-N 3.34Å; V150-I153 WeakPolarHBondContact O-CG2 3.49Å; D151-I153 VanDerWaalsContact C-N 3.32Å; D151-I153 PolarHBondContact O-N 3.01Å; I153-Y155 PolarHBondContact O-N 3.09Å; I153-V156 HydrophobicContact CD1-CB 4.21Å; I153-V156 HydrophobicContact CD1-CG2 4.1Å; I153-V156 PolarHBondContact O-N 3.48Å; I153-R157 PolarHBondContact O-N 2.74Å; I153-R157 VanDerWaalsContact O-N 3.16Å; I153-M166 HydrophobicContact CB-CB 4.39Å; I153-M166 HydrophobicContact CD1-CE 3.98Å; I153-M166 HydrophobicContact CG1-CE 4.42Å; I153-M166 HydrophobicContact CG2-CB 4.21Å |
| 154 | S | 84.8 | Confident | 87.5 | Confident | 52 Ų | 52 | 54 Ų | 54 | 36% | 0.364 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -57.2 | -34.4 | 175.6 | 78.5 | 0 | 0 | 0 | 0 | 111.8 | D151 A152 V156 R157 E158 | D151-S154 WeakPolarHBondContact O-CB 3.4Å; D151-S154 PolarHBondContact O-N 3.47Å; D151-S154 PolarHBondContact O-OG 3.37Å; A152-S154 PolarHBondContact O-N 3.34Å; S154-V156 VanDerWaalsContact C-N 3.33Å; S154-V156 PolarHBondContact O-N 2.79Å; S154-R157 WeakPolarHBondContact O-CB 3.07Å; S154-R157 PolarHBondContact O-N 3.37Å; S154-E158 WeakPolarHBondContact O-CG 3.5Å; S154-E158 PolarHBondContact O-N 3.3Å |
| 155 | Y | 80.3 | Confident | 87.2 | Confident | 53 Ų | 53 | 51.3 Ų | 51.3 | 21% | 0.208 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60 | -42.3 | 176 | 172 | -104.5 | 0 | 0 | 0 | 112.6 | E101 R105 A152 I153 E158 K159 | E101-Y155 VanDerWaalsContact CD-CE1 3.43Å; E101-Y155 HydrophobicContact CG-CE1 4.28Å; E101-Y155 WeakPolarHBondContact OE1-CE1 3.11Å; E101-Y155 PolarHBondContact OE1-OH 2.94Å; E101-Y155 PolarHBondContact OE2-OH 2.96Å; R105-Y155 VanDerWaalsContact CZ-CD1 3.43Å; R105-Y155 VanDerWaalsContact CZ-CG 3.45Å; R105-Y155 VanDerWaalsContact NH2-CE1 3.27Å; A152-Y155 WeakPolarHBondContact O-CB 3.3Å; A152-Y155 PolarHBondContact O-N 3.01Å; I153-Y155 PolarHBondContact O-N 3.09Å; Y155-E158 PolarHBondContact O-N 3.3Å; Y155-K159 HydrophobicContact CE1-CD 4.03Å; Y155-K159 HydrophobicContact CE2-CD 4.5Å; Y155-K159 WeakPolarHBondContact O-CB 3.44Å; Y155-K159 PolarHBondContact O-N 2.57Å; Y155-K159 WeakPolarHBondContact OH-CD 3.11Å; Y155-K159 PolarHBondContact OH-NZ 2.92Å |
| 156 | V | 80.4 | Confident | 87.1 | Confident | 4 Ų | 4 | 51.3 Ų | 51.3 | 2% | 0.024 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.9 | -47.5 | 177.8 | 177.3 | 0 | 0 | 0 | 0 | 109.1 | L98 L102 I153 S154 E158 K159 T160 V164 | L98-V156 HydrophobicContact CD1-CG1 4.12Å; L98-V156 HydrophobicContact CD1-CG2 4.3Å; L98-V156 HydrophobicContact CD2-CG1 3.93Å; L98-V156 HydrophobicContact CG-CG1 4.26Å; L102-V156 HydrophobicContact CB-CG2 4.26Å; L102-V156 HydrophobicContact CD1-CG2 3.84Å; L102-V156 HydrophobicContact CD2-CG2 4.18Å; L102-V156 HydrophobicContact CG-CG2 4.31Å; I153-V156 HydrophobicContact CD1-CB 4.21Å; I153-V156 HydrophobicContact CD1-CG2 4.1Å; I153-V156 PolarHBondContact O-N 3.48Å; S154-V156 VanDerWaalsContact C-N 3.33Å; S154-V156 PolarHBondContact O-N 2.79Å; V156-E158 VanDerWaalsContact C-N 3.28Å; V156-E158 PolarHBondContact O-N 3.06Å; V156-K159 PolarHBondContact O-N 2.86Å; V156-K159 VanDerWaalsContact O-N 3.09Å; V156-T160 HydrophobicContact CG1-CG2 4.08Å; V156-T160 PolarHBondContact O-N 3.22Å; V156-T160 PolarHBondContact O-OG1 3.42Å; V156-V164 HydrophobicContact CB-CG2 4.24Å; V156-V164 HydrophobicContact CG1-CG2 3.82Å |
| 157 | R | 84.7 | Confident | 87 | Confident | 86 Ų | 86 | 55.1 Ų | 55.1 | 33% | 0.325 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -53.1 | -44.1 | 176.6 | -173.6 | -176.6 | -62.4 | -173.7 | 1.4 | 112.2 | I153 S154 Q161 T162 V164 D165 | I153-R157 PolarHBondContact O-N 2.74Å; I153-R157 VanDerWaalsContact O-N 3.16Å; S154-R157 WeakPolarHBondContact O-CB 3.07Å; S154-R157 PolarHBondContact O-N 3.37Å; R157-Q161 WeakPolarHBondContact O-CA 3.25Å; R157-Q161 PolarHBondContact O-N 2.91Å; R157-T162 WeakPolarHBondContact CG-O 3.41Å; R157-V164 HydrophobicContact CB-CG2 4.18Å; R157-V164 VanDerWaalsContact CZ-O 3.24Å; R157-V164 PolarHBondContact NE-O 2.91Å; R157-V164 PolarHBondContact NH2-O 2.97Å; R157-D165 IonicContact CZ-OD2 3.03Å; R157-D165 IonicContact NH2-OD1 3.28Å; R157-D165 IonicContact NH2-OD2 2.66Å; R157-D165 PolarHBondContact NH2-OD2 3.24Å |
| 158 | E | 84.4 | Confident | 87.1 | Confident | 131 Ų | 131 | 53 Ų | 53 | 61% | 0.612 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -66.9 | -41.5 | 177 | -73.9 | 171.8 | -165.2 | 0 | 0 | 112.7 | S154 Y155 V156 Q161 | S154-E158 WeakPolarHBondContact O-CG 3.5Å; S154-E158 PolarHBondContact O-N 3.3Å; Y155-E158 PolarHBondContact O-N 3.3Å; V156-E158 VanDerWaalsContact C-N 3.28Å; V156-E158 PolarHBondContact O-N 3.06Å; E158-Q161 PolarHBondContact O-NE2 3.45Å |
| 159 | K | 81.3 | Confident | 87.2 | Confident | 106 Ų | 106 | 52.3 Ų | 52.3 | 46% | 0.461 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -76.2 | -39.1 | -175.7 | -172.1 | 168.8 | -177 | 167.4 | 0 | 113.3 | L98 E101 Y155 V156 | L98-K159 HydrophobicContact CD1-CD 4.28Å; E101-K159 IonicContact OE2-NZ 2.75Å; E101-K159 PolarHBondContact OE2-NZ 3.01Å; Y155-K159 HydrophobicContact CE1-CD 4.03Å; Y155-K159 HydrophobicContact CE2-CD 4.5Å; Y155-K159 WeakPolarHBondContact O-CB 3.44Å; Y155-K159 PolarHBondContact O-N 2.57Å; Y155-K159 WeakPolarHBondContact OH-CD 3.11Å; Y155-K159 PolarHBondContact OH-NZ 2.92Å; V156-K159 PolarHBondContact O-N 2.86Å; V156-K159 VanDerWaalsContact O-N 3.09Å |
| 160 | T | 75.9 | Confident | 87.4 | Confident | 35 Ų | 35 | 52.3 Ų | 52.3 | 22% | 0.215 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -92.1 | -13.4 | -177.1 | 59.1 | 0 | 0 | 0 | 0 | 112.9 | L86 L98 V156 T162 | L86-T160 HydrophobicContact CD1-CG2 3.9Å; L98-T160 HydrophobicContact CD1-CG2 4.04Å; L98-T160 HydrophobicContact CD2-CG2 3.53Å; L98-T160 HydrophobicContact CG-CG2 4.44Å; V156-T160 HydrophobicContact CG1-CG2 4.08Å; V156-T160 PolarHBondContact O-N 3.22Å; V156-T160 PolarHBondContact O-OG1 3.42Å; T160-T162 WeakPolarHBondContact CB-OG1 3.44Å; T160-T162 PolarHBondContact O-N 2.82Å; T160-T162 VanDerWaalsContact O-N 3.15Å; T160-T162 PolarHBondContact OG1-N 3.23Å; T160-T162 PolarHBondContact OG1-OG1 3.46Å |
| 161 | Q | 80.1 | Confident | 87.6 | Confident | 167 Ų | 167 | 51.3 Ų | 51.3 | 78% | 0.78 | 25% | 0.254 | S | S | * | . | trans | 55.2 | 26.7 | -172.9 | -60.5 | -70.2 | -46.9 | 0 | 0 | 112.5 | R157 E158 | R157-Q161 WeakPolarHBondContact O-CA 3.25Å; R157-Q161 PolarHBondContact O-N 2.91Å; E158-Q161 PolarHBondContact O-NE2 3.45Å | ||
| 162 | T | 78 | Confident | 87.9 | Confident | 39 Ų | 39 | 46.1 Ų | 46.1 | 24% | 0.239 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -108.5 | 145.1 | 176 | 56.7 | 0 | 0 | 0 | 0 | 109.9 | L86 R157 T160 V164 | L86-T162 HydrophobicContact CD1-CG2 4.27Å; R157-T162 WeakPolarHBondContact CG-O 3.41Å; T160-T162 WeakPolarHBondContact CB-OG1 3.44Å; T160-T162 PolarHBondContact O-N 2.82Å; T160-T162 VanDerWaalsContact O-N 3.15Å; T160-T162 PolarHBondContact OG1-N 3.23Å; T160-T162 PolarHBondContact OG1-OG1 3.46Å; T162-V164 PolarHBondContact O-N 2.74Å |
| 163 | N | 83.6 | Confident | 88.1 | Confident | 144 Ų | 144 | 45.9 Ų | 45.9 | 77% | 0.77 | 23% | 0.225 | S | C | * | . | trans | -79.1 | 60.4 | -179 | -167.8 | 32.8 | 0 | 0 | 0 | 112.1 | ||||
| 164 | V | 88.1 | Confident | 88.2 | Confident | 3 Ų | 3 | 47.1 Ų | 47.1 | 2% | 0.018 | 23% | 0.233 | C | C | . | . | trans | -84.5 | 144.1 | 176.2 | -66.4 | 0 | 0 | 0 | 0 | 111.1 | I80 V81 L86 V156 R157 T162 | I80-V164 HydrophobicContact CG2-CB 4.42Å; V81-V164 WeakPolarHBondContact O-CA 3.42Å; L86-V164 HydrophobicContact CB-CG1 4.44Å; L86-V164 HydrophobicContact CD2-CG1 4.42Å; V156-V164 HydrophobicContact CB-CG2 4.24Å; V156-V164 HydrophobicContact CG1-CG2 3.82Å; R157-V164 HydrophobicContact CB-CG2 4.18Å; R157-V164 VanDerWaalsContact CZ-O 3.24Å; R157-V164 PolarHBondContact NE-O 2.91Å; R157-V164 PolarHBondContact NH2-O 2.97Å; T162-V164 PolarHBondContact O-N 2.74Å | ||
| 165 | D | 90.7 | Very high | 88.7 | Confident | 35 Ų | 35 | 44.8 Ų | 44.8 | 19% | 0.187 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | -179.9 | 177.9 | -145.6 | -39.3 | 0 | 0 | 0 | 110.2 | V81 R157 P206 G207 | V81-D165 HydrophobicContact CB-CB 4.26Å; V81-D165 PolarHBondContact N-O 2.8Å; V81-D165 PolarHBondContact O-N 3.49Å; R157-D165 IonicContact CZ-OD2 3.03Å; R157-D165 IonicContact NH2-OD1 3.28Å; R157-D165 IonicContact NH2-OD2 2.66Å; R157-D165 PolarHBondContact NH2-OD2 3.24Å; D165-P206 HydrophobicContact CB-CB 4.12Å; D165-G207 WeakPolarHBondContact OD1-CA 3.45Å; D165-G207 PolarHBondContact OD1-N 3.46Å |
| 166 | M | 92.1 | Very high | 89.2 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 133.5 | -179.7 | -171.6 | 141.6 | -76.9 | 0 | 0 | 111.1 | A78 D79 I80 F106 M149 V150 I153 V168 G207 | A78-M166 HydrophobicContact CB-CG 4.31Å; A78-M166 HydrophobicContact CB-SD 4Å; D79-M166 WeakPolarHBondContact O-CA 3.48Å; I80-M166 HydrophobicContact CG1-CE 3.66Å; F106-M166 HydrophobicContact CE2-CE 3.82Å; F106-M166 HydrophobicContact CE2-SD 4.1Å; F106-M166 HydrophobicContact CZ-CE 3.62Å; F106-M166 HydrophobicContact CZ-SD 3.63Å; M149-M166 HydrophobicContact CB-SD 3.82Å; V150-M166 HydrophobicContact CG2-CB 4.43Å; I153-M166 HydrophobicContact CB-CB 4.39Å; I153-M166 HydrophobicContact CD1-CE 3.98Å; I153-M166 HydrophobicContact CG1-CE 4.42Å; I153-M166 HydrophobicContact CG2-CB 4.21Å; M166-V168 HydrophobicContact CG-CG2 3.8Å; M166-G207 PolarHBondContact O-N 3.03Å |
| 167 | R | 94.9 | Very high | 89.7 | Confident | 79 Ų | 79 | 42.2 Ų | 42.2 | 30% | 0.298 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 133.5 | 164.3 | -77.5 | 172.2 | -167.7 | -151.3 | 0.3 | 108.4 | A78 D79 V81 E201 A202 P206 | A78-R167 CarbonylContact C-O 3.58Å; A78-R167 VanDerWaalsContact CA-O 3.25Å; A78-R167 WeakPolarHBondContact CA-O 3.17Å; D79-R167 PolarHBondContact N-O 3.23Å; D79-R167 PolarHBondContact O-N 3.43Å; V81-R167 HydrophobicContact CG2-CB 4.34Å; V81-R167 HydrophobicContact CG2-CG 3.57Å; R167-E201 HydrophobicContact CB-CG 4.26Å; R167-E201 WeakPolarHBondContact CB-OE1 3.33Å; R167-E201 WeakPolarHBondContact CD-OE1 3.44Å; R167-A202 PolarHBondContact NH1-O 3.16Å; R167-A202 VanDerWaalsContact NH1-O 3.16Å; R167-P206 HydrophobicContact CG-CG 4.24Å |
| 168 | V | 96.9 | Very high | 90 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 123.9 | 177.7 | -174.6 | 0 | 0 | 0 | 0 | 109.7 | L76 F77 A78 V150 M166 V170 V209 H210 | L76-V168 HydrophobicContact CD1-CG1 4.06Å; L76-V168 HydrophobicContact CD2-CG1 4.19Å; L76-V168 HydrophobicContact CG-CG1 3.94Å; F77-V168 WeakPolarHBondContact O-CA 3.49Å; A78-V168 HydrophobicContact CB-CG2 4.18Å; V150-V168 HydrophobicContact CG2-CG2 3.94Å; M166-V168 HydrophobicContact CG-CG2 3.8Å; V168-V170 HydrophobicContact CG1-CG2 4.3Å; V168-V209 HydrophobicContact CB-CG2 4.29Å; V168-V209 HydrophobicContact CG1-CG1 4.32Å; V168-V209 HydrophobicContact CG1-CG2 4.42Å; V168-H210 PolarHBondContact O-N 3.27Å |
| 169 | G | 97.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 132.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L76 F77 H210 | L76-G169 WeakPolarHBondContact CA-O 3.3Å; F77-G169 PolarHBondContact N-O 3.23Å; F77-G169 PolarHBondContact O-N 3.29Å; G169-H210 CarbonylContact C-O 3.48Å; G169-H210 WeakPolarHBondContact CA-O 3.11Å |
| 170 | V | 97.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 132.7 | 176.1 | -171.3 | 0 | 0 | 0 | 0 | 110.4 | I75 L76 V168 V209 H210 I211 S212 T215 | I75-V170 VanDerWaalsContact O-CA 3.29Å; I75-V170 WeakPolarHBondContact O-CA 3.25Å; L76-V170 HydrophobicContact CB-CG2 4.36Å; L76-V170 HydrophobicContact CD1-CG2 4.05Å; L76-V170 HydrophobicContact CG-CG2 4.11Å; V168-V170 HydrophobicContact CG1-CG2 4.3Å; V170-V209 HydrophobicContact CG2-CG1 3.97Å; V170-H210 PolarHBondContact N-O 2.9Å; V170-I211 HydrophobicContact CB-CG2 4.1Å; V170-I211 WeakPolarHBondContact O-CA 3.13Å; V170-S212 PolarHBondContact O-N 3.13Å; V170-T215 HydrophobicContact CG1-CG2 4.01Å; V170-T215 PolarHBondContact O-OG1 3.45Å |
| 171 | H | 97.6 | Very high | 91.2 | Very high | 6 Ų | 6 | 25.9 Ų | 25.9 | 3% | 0.028 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 149.6 | 173.2 | -178.4 | 63.1 | 0 | 0 | 0 | 109.8 | S74 I75 D193 V196 A197 S212 T215 | S74-H171 CarbonylContact C-O 3.46Å; S74-H171 WeakPolarHBondContact CA-O 3.36Å; I75-H171 WeakPolarHBondContact CB-O 3.28Å; I75-H171 PolarHBondContact N-O 2.87Å; I75-H171 PolarHBondContact O-N 2.88Å; H171-D193 PolarHBondContact CD2-O 3.1Å; H171-D193 VanDerWaalsContact CD2-O 3.23Å; H171-D193 IonicContact NE2-OD1 2.71Å; H171-D193 PolarHBondContact NE2-OD1 3.49Å; H171-V196 HydrophobicContact CB-CG1 4.33Å; H171-A197 HydrophobicContact CB-CB 3.71Å; H171-S212 VanDerWaalsContact ND1-CB 3.26Å; H171-S212 WeakPolarHBondContact ND1-CB 3.35Å; H171-S212 PolarHBondContact ND1-OG 2.92Å; H171-T215 VanDerWaalsContact C-OG1 3.28Å; H171-T215 WeakPolarHBondContact CA-OG1 3.45Å |
| 172 | S | 96.9 | Very high | 91.5 | Very high | 7 Ų | 7 | 21.2 Ų | 21.2 | 5% | 0.049 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 131.9 | 179.4 | -55 | 0 | 0 | 0 | 0 | 109.5 | V73 S74 S214 T215 | V73-S172 CarbonylContact O-C 3.55Å; V73-S172 VanDerWaalsContact O-CA 3.22Å; V73-S172 WeakPolarHBondContact O-CA 3.49Å; S74-S172 PolarHBondContact OG-OG 3.11Å; S172-S214 VanDerWaalsContact O-CB 3.31Å; S172-S214 WeakPolarHBondContact O-CB 3.38Å; S172-T215 PolarHBondContact N-OG1 3.04Å; S172-T215 PolarHBondContact OG-OG1 3.46Å; S172-T215 VanDerWaalsContact OG-OG1 3.13Å |
| 173 | G | 94.8 | Very high | 91.9 | Very high | 14 Ų | 14 | 22 Ų | 22 | 14% | 0.144 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.2 | -149.3 | -170.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | N72 V73 D193 | N72-G173 PolarHBondContact N-O 3.32Å; V73-G173 WeakPolarHBondContact CG2-O 3.46Å; V73-G173 PolarHBondContact N-O 2.87Å; V73-G173 PolarHBondContact O-N 2.81Å; G173-D193 WeakPolarHBondContact CA-OD2 3.39Å |
| 174 | T | 92.8 | Very high | 91.9 | Very high | 28 Ų | 28 | 17 Ų | 17 | 17% | 0.172 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 148.8 | -177.9 | 65.5 | 0 | 0 | 0 | 0 | 110.9 | H70 E71 S191 D193 | H70-T174 CarbonylContact O-C 3.57Å; H70-T174 WeakPolarHBondContact O-CA 3.4Å; E71-T174 HydrophobicContact CB-CG2 4.12Å; E71-T174 HydrophobicContact CG-CG2 3.97Å; T174-S191 WeakPolarHBondContact O-CB 3.47Å; T174-S191 PolarHBondContact O-OG 3.46Å; T174-D193 PolarHBondContact N-OD2 3.22Å; T174-D193 PolarHBondContact OG1-OD2 2.95Å |
| 175 | V | 93.3 | Very high | 91.8 | Very high | 2 Ų | 2 | 17.9 Ų | 17.9 | 1% | 0.012 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 146 | 178.8 | -60.9 | 0 | 0 | 0 | 0 | 111.5 | H70 V73 I75 I128 L131 V194 | H70-V175 HydrophobicContact CB-CG2 4.01Å; H70-V175 PolarHBondContact N-O 2.67Å; H70-V175 PolarHBondContact O-N 3.22Å; V73-V175 HydrophobicContact CG1-CG2 4.43Å; V73-V175 HydrophobicContact CG2-CB 4.29Å; V73-V175 HydrophobicContact CG2-CG1 3.74Å; V73-V175 HydrophobicContact CG2-CG2 3.68Å; I75-V175 HydrophobicContact CD1-CG1 3.59Å; I75-V175 HydrophobicContact CG1-CG1 4.14Å; I128-V175 HydrophobicContact CD1-CG1 4.43Å; L131-V175 HydrophobicContact CD1-CG2 4.01Å; L131-V175 HydrophobicContact CD2-CG2 4.34Å; V175-V194 HydrophobicContact CG1-CG2 3.77Å |
| 176 | L | 92.3 | Very high | 91.4 | Very high | 4 Ų | 4 | 17.5 Ų | 17.5 | 2% | 0.021 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 116.5 | 163.2 | -62.3 | 174.9 | 0 | 0 | 0 | 107.9 | M67 Y68 R69 V189 W190 G678 I680 L683 | M67-L176 HydrophobicContact CG-CB 4.1Å; M67-L176 HydrophobicContact SD-CB 4.1Å; Y68-L176 CarbonylContact O-C 3.56Å; Y68-L176 WeakPolarHBondContact O-CA 3.41Å; R69-L176 HydrophobicContact CB-CD2 3.66Å; R69-L176 HydrophobicContact CG-CD2 3.94Å; L176-V189 CarbonylContact O-C 3.51Å; L176-V189 VanDerWaalsContact O-CA 3.24Å; L176-V189 WeakPolarHBondContact O-CA 3.4Å; L176-W190 WeakPolarHBondContact CB-O 3.21Å; L176-W190 PolarHBondContact N-O 3.15Å; L176-W190 PolarHBondContact O-N 3.3Å; L176-G678 WeakPolarHBondContact CD1-O 3.22Å; L176-I680 HydrophobicContact CD1-CG1 3.98Å; L176-I680 HydrophobicContact CD2-CD1 4.19Å; L176-I680 HydrophobicContact CD2-CG1 3.78Å; L176-L683 HydrophobicContact CB-CD1 4.21Å; L176-L683 HydrophobicContact CD1-CD1 3.54Å |
| 177 | G | 91.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 134.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | M67 Y68 D188 | M67-G177 WeakPolarHBondContact CA-O 3.4Å; Y68-G177 PolarHBondContact N-O 2.86Å; Y68-G177 PolarHBondContact O-N 3.07Å; G177-D188 WeakPolarHBondContact CA-O 3.26Å |
| 178 | G | 90.9 | Very high | 91 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.2 | -168.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y66 Y187 D188 | Y66-G178 CarbonylContact O-C 3.44Å; Y66-G178 WeakPolarHBondContact O-CA 3.48Å; G178-Y187 WeakPolarHBondContact O-CA 3.28Å; G178-D188 PolarHBondContact N-O 3.09Å; G178-D188 PolarHBondContact O-N 2.79Å |
| 179 | V | 90.4 | Very high | 90.8 | Very high | 3 Ų | 3 | 15.4 Ų | 15.4 | 2% | 0.018 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 133.1 | 176.7 | -178.5 | 0 | 0 | 0 | 0 | 109.3 | L38 I42 M46 Y66 W185 | L38-V179 HydrophobicContact CD2-CG2 3.64Å; I42-V179 HydrophobicContact CG2-CG2 4.12Å; M46-V179 HydrophobicContact CE-CG1 4.23Å; Y66-V179 PolarHBondContact O-N 3.26Å; V179-W185 HydrophobicContact CG1-CB 3.71Å; V179-W185 HydrophobicContact CG1-CG 3.76Å |
| 180 | L | 88.2 | Confident | 90.5 | Very high | 8 Ų | 8 | 16.4 Ų | 16.4 | 4% | 0.042 | 8% | 0.081 | C | C | . | . | trans | -117.7 | 148 | 176.5 | -67.1 | -177.9 | 0 | 0 | 0 | 112.2 | M65 M67 W190 L686 N687 | M65-L180 HydrophobicContact CG-CD2 3.98Å; M65-L180 HydrophobicContact SD-CD2 3.75Å; M67-L180 HydrophobicContact CE-CD2 4.16Å; L180-W190 HydrophobicContact CB-CH2 4.33Å; L180-W190 HydrophobicContact CB-CZ2 4.26Å; L180-W190 HydrophobicContact CD1-CD2 4.36Å; L180-W190 HydrophobicContact CD1-CH2 3.8Å; L180-W190 HydrophobicContact CD1-CZ2 3.23Å; L180-W190 HydrophobicContact CG-CH2 3.59Å; L180-W190 HydrophobicContact CG-CZ2 3.57Å; L180-W190 HydrophobicContact CG-CZ3 4.32Å; L180-L686 HydrophobicContact CD1-CD2 4.14Å; L180-N687 WeakPolarHBondContact CA-OD1 3.48Å; L180-N687 HydrophobicContact CD2-CB 3.81Å | ||
| 181 | G | 87.6 | Confident | 90.2 | Very high | 4 Ų | 4 | 16.9 Ų | 16.9 | 4% | 0.041 | 8% | 0.084 | C | C | . | . | S | Bend | trans | 84 | 177.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | W185 N687 | G181-W185 VanDerWaalsContact O-CD1 3.32Å; G181-W185 PolarHBondContact O-NE1 2.97Å; G181-N687 PolarHBondContact N-OD1 3.47Å |
| 182 | Q | 86.1 | Confident | 89.8 | Confident | 69 Ų | 69 | 19 Ų | 19 | 32% | 0.322 | 10% | 0.098 | S | C | . | . | S | Bend | trans | -104.2 | -22.9 | -179.6 | -60.2 | -53.4 | -43.8 | 0 | 0 | 112.7 | W185 N628 D694 | Q182-W185 PolarHBondContact O-NE1 3.42Å; Q182-N628 PolarHBondContact O-ND2 3.28Å; Q182-D694 HydrophobicContact CB-CB 4.43Å; Q182-D694 PolarHBondContact N-OD2 3.24Å |
| 183 | K | 86.4 | Confident | 89.7 | Confident | 54 Ų | 54 | 20.2 Ų | 20.2 | 24% | 0.235 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -115.4 | 146.3 | 178.6 | -67.1 | 176.8 | -175.8 | -84 | 0 | 111.2 | N628 D694 L697 D698 K707 | K183-N628 VanDerWaalsContact CA-OD1 3.3Å; K183-N628 WeakPolarHBondContact CA-OD1 3.37Å; K183-D694 HydrophobicContact CB-CB 4.25Å; K183-D694 HydrophobicContact CD-CB 4.11Å; K183-D694 WeakPolarHBondContact CE-O 3.27Å; K183-D694 HydrophobicContact CG-CB 4.14Å; K183-D694 PolarHBondContact N-OD2 3.21Å; K183-L697 HydrophobicContact CD-CB 4.12Å; K183-L697 HydrophobicContact CD-CD1 4.12Å; K183-D698 VanDerWaalsContact CE-OD1 3.28Å; K183-D698 WeakPolarHBondContact CE-OD1 3.45Å; K183-D698 VanDerWaalsContact CE-OD2 3.31Å; K183-D698 WeakPolarHBondContact CE-OD2 3.44Å; K183-D698 IonicContact NZ-OD1 3.57Å; K183-D698 PolarHBondContact NZ-OD1 3.37Å; K183-D698 IonicContact NZ-OD2 3.26Å; K183-K707 HydrophobicContact CB-CD 4.38Å; K183-K707 WeakPolarHBondContact O-CE 3.43Å; K183-K707 PolarHBondContact O-NZ 3.06Å |
| 184 | R | 85.1 | Confident | 89.6 | Confident | 39 Ų | 39 | 20.4 Ų | 20.4 | 15% | 0.147 | 10% | 0.102 | C | C | . | . | S | Bend | trans | 59.3 | 50.8 | 176.2 | -61.5 | -75.7 | -179 | -119 | -5.3 | 113 | Q186 N628 L630 P631 K707 | R184-Q186 PolarHBondContact O-N 3.49Å; R184-N628 WeakPolarHBondContact CA-O 3.23Å; R184-N628 PolarHBondContact N-O 3Å; R184-N628 PolarHBondContact N-OD1 3.5Å; R184-N628 PolarHBondContact NH1-O 3.44Å; R184-L630 PolarHBondContact NH1-O 2.96Å; R184-P631 VanDerWaalsContact NH1-N 3.2Å; R184-K707 HydrophobicContact CB-CD 3.99Å; R184-K707 HydrophobicContact CB-CG 4.31Å; R184-K707 HydrophobicContact CG-CB 4.03Å; R184-K707 HydrophobicContact CG-CD 4.05Å; R184-K707 HydrophobicContact CG-CG 4.06Å; R184-K707 PolarHBondContact NE-O 3.09Å |
| 185 | W | 84.3 | Confident | 89.5 | Confident | 22 Ų | 22 | 21.9 Ų | 21.9 | 8% | 0.083 | 11% | 0.111 | C | C | . | . | trans | -54.2 | 125 | 177.3 | -68.4 | -24.9 | 0 | 0 | 0 | 112 | M46 M50 V179 G181 Q182 L625 N628 | M46-W185 HydrophobicContact CE-CB 4.41Å; M46-W185 HydrophobicContact CE-CD2 3.26Å; M46-W185 HydrophobicContact CE-CE3 3.13Å; M46-W185 HydrophobicContact CE-CG 3.86Å; M46-W185 HydrophobicContact CE-CH2 3.82Å; M46-W185 HydrophobicContact CE-CZ2 3.95Å; M46-W185 HydrophobicContact CE-CZ3 3.41Å; M46-W185 VanDerWaalsContact CE-CZ3 3.41Å; M46-W185 HydrophobicContact SD-CE3 4.39Å; M50-W185 HydrophobicContact SD-CH2 4.44Å; M50-W185 HydrophobicContact SD-CZ3 4.26Å; V179-W185 HydrophobicContact CG1-CB 3.71Å; V179-W185 HydrophobicContact CG1-CG 3.76Å; G181-W185 VanDerWaalsContact O-CD1 3.32Å; G181-W185 PolarHBondContact O-NE1 2.97Å; Q182-W185 PolarHBondContact O-NE1 3.42Å; W185-L625 HydrophobicContact CE3-CD2 3.94Å; W185-L625 HydrophobicContact CZ3-CD2 3.47Å; W185-L625 VanDerWaalsContact CZ3-CD2 3.47Å; W185-N628 VanDerWaalsContact CD2-ND2 3.29Å | ||
| 186 | Q | 84 | Confident | 89.6 | Confident | 27 Ų | 27 | 22.2 Ų | 22.2 | 13% | 0.126 | 11% | 0.113 | C | C | . | . | trans | -139 | 135.7 | 176.5 | -69 | 174.1 | 21.9 | 0 | 0 | 107.2 | R184 D188 | R184-Q186 PolarHBondContact O-N 3.49Å; Q186-D188 PolarHBondContact O-N 3.04Å | ||
| 187 | Y | 88.1 | Confident | 89.7 | Confident | 15 Ų | 15 | 22 Ų | 22 | 6% | 0.059 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 123.1 | 169.2 | -176.4 | -104.8 | 0 | 0 | 0 | 108.7 | P39 I42 L116 I118 G178 V189 | P39-Y187 HydrophobicContact CG-CD1 4.12Å; P39-Y187 HydrophobicContact CG-CD2 3.79Å; P39-Y187 HydrophobicContact CG-CE1 4.14Å; P39-Y187 HydrophobicContact CG-CE2 3.83Å; P39-Y187 HydrophobicContact CG-CG 3.93Å; I42-Y187 HydrophobicContact CD1-CD2 3.53Å; I42-Y187 HydrophobicContact CD1-CE2 3.42Å; I42-Y187 VanDerWaalsContact CD1-CE2 3.42Å; L116-Y187 HydrophobicContact CD2-CE1 3.97Å; I118-Y187 HydrophobicContact CD1-CD1 4.19Å; I118-Y187 HydrophobicContact CD1-CE1 3.93Å; G178-Y187 WeakPolarHBondContact O-CA 3.28Å; Y187-V189 HydrophobicContact CE1-CG1 4.38Å |
| 188 | D | 90.3 | Very high | 89.9 | Confident | 14 Ų | 14 | 25.3 Ų | 25.3 | 8% | 0.075 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 173.8 | 179.6 | -145.2 | -23.8 | 0 | 0 | 0 | 109.7 | K119 G177 G178 Q186 W190 | K119-D188 IonicContact NZ-OD2 2.99Å; K119-D188 PolarHBondContact NZ-OD2 3.46Å; K119-D188 VanDerWaalsContact NZ-OD2 3.17Å; G177-D188 WeakPolarHBondContact CA-O 3.26Å; G178-D188 PolarHBondContact N-O 3.09Å; G178-D188 PolarHBondContact O-N 2.79Å; Q186-D188 PolarHBondContact O-N 3.04Å; D188-W190 HydrophobicContact CB-CH2 3.57Å; D188-W190 HydrophobicContact CB-CZ2 3.7Å; D188-W190 HydrophobicContact CB-CZ3 4.22Å; D188-W190 WeakPolarHBondContact O-CZ3 3.26Å |
| 189 | V | 91.6 | Very high | 90 | Very high | 7 Ų | 7 | 28.7 Ų | 28.7 | 4% | 0.042 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 141.3 | -174.4 | -62.8 | 0 | 0 | 0 | 0 | 111.8 | I118 Y126 I128 L131 L176 Y187 V194 | I118-V189 HydrophobicContact CD1-CG1 4.09Å; I118-V189 HydrophobicContact CG1-CG1 4.48Å; I118-V189 HydrophobicContact CG1-CG2 4.46Å; I118-V189 HydrophobicContact CG2-CG2 4.16Å; Y126-V189 HydrophobicContact CE1-CG2 3.55Å; Y126-V189 WeakPolarHBondContact OH-CG2 3.44Å; I128-V189 HydrophobicContact CD1-CB 4.13Å; I128-V189 HydrophobicContact CD1-CG1 3.78Å; I128-V189 HydrophobicContact CD1-CG2 3.74Å; L131-V189 HydrophobicContact CD1-CG1 4.18Å; L176-V189 CarbonylContact O-C 3.51Å; L176-V189 VanDerWaalsContact O-CA 3.24Å; L176-V189 WeakPolarHBondContact O-CA 3.4Å; Y187-V189 HydrophobicContact CE1-CG1 4.38Å; V189-V194 HydrophobicContact CG2-CG2 4.07Å |
| 190 | W | 91.4 | Very high | 90.3 | Very high | 21 Ų | 21 | 28.5 Ų | 28.5 | 8% | 0.08 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 130.4 | -177.7 | -59.3 | -93.9 | 0 | 0 | 0 | 110.3 | M67 L176 L180 D188 L683 | M67-W190 HydrophobicContact SD-CE3 3.64Å; M67-W190 HydrophobicContact SD-CZ3 3.77Å; L176-W190 WeakPolarHBondContact CB-O 3.21Å; L176-W190 PolarHBondContact N-O 3.15Å; L176-W190 PolarHBondContact O-N 3.3Å; L180-W190 HydrophobicContact CB-CH2 4.33Å; L180-W190 HydrophobicContact CB-CZ2 4.26Å; L180-W190 HydrophobicContact CD1-CD2 4.36Å; L180-W190 HydrophobicContact CD1-CH2 3.8Å; L180-W190 HydrophobicContact CD1-CZ2 3.23Å; L180-W190 HydrophobicContact CG-CH2 3.59Å; L180-W190 HydrophobicContact CG-CZ2 3.57Å; L180-W190 HydrophobicContact CG-CZ3 4.32Å; D188-W190 HydrophobicContact CB-CH2 3.57Å; D188-W190 HydrophobicContact CB-CZ2 3.7Å; D188-W190 HydrophobicContact CB-CZ3 4.22Å; D188-W190 WeakPolarHBondContact O-CZ3 3.26Å; W190-L683 HydrophobicContact CB-CD1 3.72Å; W190-L683 HydrophobicContact CB-CD2 4.14Å; W190-L683 HydrophobicContact CD2-CD1 4.31Å; W190-L683 HydrophobicContact CE3-CD1 4.43Å; W190-L683 HydrophobicContact CG-CD1 4.02Å; W190-L683 HydrophobicContact CG-CD2 3.94Å |
| 191 | S | 90.6 | Very high | 90.6 | Very high | 10 Ų | 10 | 28.8 Ų | 28.8 | 7% | 0.07 | 15% | 0.145 | C | C | . | . | trans | -175.9 | 160.1 | 167 | 166.5 | 0 | 0 | 0 | 0 | 109.3 | T174 D193 V194 T195 E672 | T174-S191 WeakPolarHBondContact O-CB 3.47Å; T174-S191 PolarHBondContact O-OG 3.46Å; S191-D193 PolarHBondContact O-N 3.4Å; S191-D193 WeakPolarHBondContact OG-CB 3.37Å; S191-D193 PolarHBondContact OG-N 3.07Å; S191-V194 WeakPolarHBondContact O-CB 3.43Å; S191-V194 PolarHBondContact O-N 3.46Å; S191-T195 PolarHBondContact O-N 3.05Å; S191-E672 PolarHBondContact OG-OE1 2.96Å | ||
| 192 | T | 90.1 | Very high | 90.8 | Very high | 52 Ų | 52 | 30.7 Ų | 30.7 | 32% | 0.319 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -54.3 | -36.7 | 161.9 | 52.6 | 0 | 0 | 0 | 0 | 112.3 | V194 T195 V196 Y670 E672 | T192-V194 VanDerWaalsContact C-N 3.33Å; T192-V194 PolarHBondContact O-N 3.13Å; T192-T195 WeakPolarHBondContact O-CA 3.47Å; T192-T195 VanDerWaalsContact O-CB 3.25Å; T192-T195 WeakPolarHBondContact O-CB 3.24Å; T192-T195 PolarHBondContact O-N 2.83Å; T192-V196 PolarHBondContact O-N 2.69Å; T192-Y670 HydrophobicContact CG2-CE1 4.32Å; T192-E672 WeakPolarHBondContact CB-OE1 3.45Å; T192-E672 WeakPolarHBondContact CG2-OE1 3.21Å; T192-E672 PolarHBondContact N-OE1 3.09Å; T192-E672 PolarHBondContact OG1-OE1 3.38Å |
| 193 | D | 93.8 | Very high | 91 | Very high | 32 Ų | 32 | 27.4 Ų | 27.4 | 17% | 0.171 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.4 | -34.3 | 178.7 | -66.3 | -32.1 | 0 | 0 | 0 | 112.2 | I75 H171 G173 T174 S191 T195 V196 A197 | I75-D193 HydrophobicContact CD1-CB 3.98Å; H171-D193 PolarHBondContact CD2-O 3.1Å; H171-D193 VanDerWaalsContact CD2-O 3.23Å; H171-D193 IonicContact NE2-OD1 2.71Å; H171-D193 PolarHBondContact NE2-OD1 3.49Å; G173-D193 WeakPolarHBondContact CA-OD2 3.39Å; T174-D193 PolarHBondContact N-OD2 3.22Å; T174-D193 PolarHBondContact OG1-OD2 2.95Å; S191-D193 PolarHBondContact O-N 3.4Å; S191-D193 WeakPolarHBondContact OG-CB 3.37Å; S191-D193 PolarHBondContact OG-N 3.07Å; D193-T195 VanDerWaalsContact C-N 3.29Å; D193-T195 PolarHBondContact O-N 3.18Å; D193-V196 PolarHBondContact O-N 3.21Å; D193-A197 PolarHBondContact O-N 3.14Å |
| 194 | V | 93.3 | Very high | 91.3 | Very high | 18 Ų | 18 | 25 Ų | 25 | 11% | 0.109 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.7 | -39.5 | 171.7 | 178.8 | 0 | 0 | 0 | 0 | 110.5 | I75 F77 V175 V189 S191 T192 A197 N198 | I75-V194 HydrophobicContact CD1-CG2 3.97Å; F77-V194 HydrophobicContact CE2-CG1 4.09Å; F77-V194 HydrophobicContact CZ-CG1 4.03Å; V175-V194 HydrophobicContact CG1-CG2 3.77Å; V189-V194 HydrophobicContact CG2-CG2 4.07Å; S191-V194 WeakPolarHBondContact O-CB 3.43Å; S191-V194 PolarHBondContact O-N 3.46Å; T192-V194 VanDerWaalsContact C-N 3.33Å; T192-V194 PolarHBondContact O-N 3.13Å; V194-A197 PolarHBondContact O-N 3.13Å; V194-N198 PolarHBondContact O-N 3.46Å; V194-N198 VanDerWaalsContact O-N 3.08Å |
| 195 | T | 91.4 | Very high | 91.7 | Very high | 58 Ų | 58 | 26 Ų | 26 | 36% | 0.356 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -66.1 | -42.6 | 176.6 | -55.6 | 0 | 0 | 0 | 0 | 110.7 | S191 T192 D193 A197 N198 K199 Y236 | S191-T195 PolarHBondContact O-N 3.05Å; T192-T195 WeakPolarHBondContact O-CA 3.47Å; T192-T195 VanDerWaalsContact O-CB 3.25Å; T192-T195 WeakPolarHBondContact O-CB 3.24Å; T192-T195 PolarHBondContact O-N 2.83Å; D193-T195 VanDerWaalsContact C-N 3.29Å; D193-T195 PolarHBondContact O-N 3.18Å; T195-A197 PolarHBondContact O-N 3.12Å; T195-N198 PolarHBondContact O-N 2.82Å; T195-K199 WeakPolarHBondContact O-CG 3.39Å; T195-K199 PolarHBondContact O-N 3.29Å; T195-Y236 HydrophobicContact CG2-CE2 4.48Å |
| 196 | V | 94.3 | Very high | 92.1 | Very high | 10 Ų | 10 | 27.3 Ų | 27.3 | 6% | 0.061 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.2 | -48.5 | 174.4 | 175.4 | 0 | 0 | 0 | 0 | 110.4 | H171 T192 D193 N198 K199 M200 Y236 I242 | H171-V196 HydrophobicContact CB-CG1 4.33Å; T192-V196 PolarHBondContact O-N 2.69Å; D193-V196 PolarHBondContact O-N 3.21Å; V196-N198 VanDerWaalsContact C-N 3.33Å; V196-N198 PolarHBondContact O-N 3.42Å; V196-K199 CarbonylContact O-C 3.54Å; V196-K199 WeakPolarHBondContact O-CA 3.37Å; V196-K199 PolarHBondContact O-N 2.79Å; V196-M200 HydrophobicContact CG1-CG 4.14Å; V196-M200 VanDerWaalsContact O-CG 3.27Å; V196-M200 WeakPolarHBondContact O-CG 3.44Å; V196-M200 PolarHBondContact O-N 2.94Å; V196-Y236 HydrophobicContact CG2-CE1 4.23Å; V196-I242 HydrophobicContact CB-CD1 4.46Å; V196-I242 HydrophobicContact CG1-CD1 3.75Å; V196-I242 HydrophobicContact CG2-CD1 3.81Å |
| 197 | A | 95.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -57.7 | -42.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | I75 F77 H171 D193 V194 T195 K199 M200 E201 | I75-A197 HydrophobicContact CB-CB 3.79Å; I75-A197 HydrophobicContact CG2-CB 3.28Å; F77-A197 HydrophobicContact CD2-CB 3.67Å; F77-A197 HydrophobicContact CE2-CB 3.87Å; H171-A197 HydrophobicContact CB-CB 3.71Å; D193-A197 PolarHBondContact O-N 3.14Å; V194-A197 PolarHBondContact O-N 3.13Å; T195-A197 PolarHBondContact O-N 3.12Å; A197-K199 VanDerWaalsContact C-N 3.35Å; A197-M200 WeakPolarHBondContact O-CB 3.49Å; A197-M200 PolarHBondContact O-N 2.8Å; A197-E201 PolarHBondContact O-N 2.9Å; A197-E201 VanDerWaalsContact O-N 3.07Å |
| 198 | N | 93.8 | Very high | 92.7 | Very high | 69 Ų | 69 | 29.8 Ų | 29.8 | 37% | 0.369 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -61.6 | -42.8 | 174.2 | -178.3 | 6.5 | 0 | 0 | 0 | 111.2 | F77 V194 T195 V196 M200 E201 A202 | F77-N198 HydrophobicContact CD1-CB 4.5Å; F77-N198 HydrophobicContact CD2-CB 4.32Å; F77-N198 HydrophobicContact CE1-CB 4.3Å; F77-N198 HydrophobicContact CE2-CB 4.08Å; F77-N198 HydrophobicContact CZ-CB 4.09Å; V194-N198 PolarHBondContact O-N 3.46Å; V194-N198 VanDerWaalsContact O-N 3.08Å; T195-N198 PolarHBondContact O-N 2.82Å; V196-N198 VanDerWaalsContact C-N 3.33Å; V196-N198 PolarHBondContact O-N 3.42Å; N198-M200 VanDerWaalsContact C-N 3.33Å; N198-M200 PolarHBondContact O-N 3.28Å; N198-E201 PolarHBondContact O-N 3.1Å; N198-A202 PolarHBondContact O-N 3.17Å |
| 199 | K | 94.1 | Very high | 93 | Very high | 70 Ų | 70 | 29.1 Ų | 29.1 | 30% | 0.304 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -68.9 | -30.3 | 175.4 | -62 | -55.1 | -178.7 | -175.9 | 0 | 113.3 | T195 V196 A197 A202 G203 Y236 L237 | T195-K199 WeakPolarHBondContact O-CG 3.39Å; T195-K199 PolarHBondContact O-N 3.29Å; V196-K199 CarbonylContact O-C 3.54Å; V196-K199 WeakPolarHBondContact O-CA 3.37Å; V196-K199 PolarHBondContact O-N 2.79Å; A197-K199 VanDerWaalsContact C-N 3.35Å; K199-A202 PolarHBondContact O-N 3.21Å; K199-G203 PolarHBondContact O-N 3.5Å; K199-Y236 HydrophobicContact CB-CD1 4.1Å; K199-Y236 HydrophobicContact CD-CG 4.46Å; K199-Y236 HydrophobicContact CG-CD1 3.63Å; K199-Y236 HydrophobicContact CG-CE1 4.25Å; K199-Y236 HydrophobicContact CG-CG 3.88Å; K199-L237 HydrophobicContact CB-CD2 3.93Å; K199-L237 HydrophobicContact CB-CG 4.22Å |
| 200 | M | 95.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.5 | -40.4 | 172.3 | -71.3 | -60.9 | -58.6 | 0 | 0 | 111.5 | V196 A197 N198 G204 H210 I211 L237 T244 | V196-M200 HydrophobicContact CG1-CG 4.14Å; V196-M200 VanDerWaalsContact O-CG 3.27Å; V196-M200 WeakPolarHBondContact O-CG 3.44Å; V196-M200 PolarHBondContact O-N 2.94Å; A197-M200 WeakPolarHBondContact O-CB 3.49Å; A197-M200 PolarHBondContact O-N 2.8Å; N198-M200 VanDerWaalsContact C-N 3.33Å; N198-M200 PolarHBondContact O-N 3.28Å; M200-G204 PolarHBondContact O-N 3.39Å; M200-G204 VanDerWaalsContact O-N 3.09Å; M200-H210 HydrophobicContact CE-CB 4.44Å; M200-H210 PolarHBondContact O-ND1 3.26Å; M200-I211 VanDerWaalsContact CE-O 3.24Å; M200-I211 WeakPolarHBondContact CE-O 3.31Å; M200-L237 HydrophobicContact CG-CD2 4.44Å; M200-L237 HydrophobicContact SD-CD1 3.87Å; M200-L237 HydrophobicContact SD-CD2 3.89Å; M200-T244 HydrophobicContact CE-CG2 3.81Å; M200-T244 HydrophobicContact SD-CG2 3.56Å; M200-T244 VanDerWaalsContact SD-CG2 3.56Å |
| 201 | E | 95.1 | Very high | 93.5 | Very high | 14 Ų | 14 | 27.8 Ų | 27.8 | 7% | 0.065 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.7 | -50.7 | 172.7 | 179.4 | -71.5 | 124.1 | 0 | 0 | 110.7 | F77 D79 R167 A197 N198 G203 G204 | F77-E201 HydrophobicContact CB-CB 3.68Å; F77-E201 HydrophobicContact CB-CG 4.04Å; D79-E201 HydrophobicContact CB-CG 4.11Å; D79-E201 VanDerWaalsContact CB-OE1 3.31Å; D79-E201 WeakPolarHBondContact CB-OE1 3.34Å; R167-E201 HydrophobicContact CB-CG 4.26Å; R167-E201 WeakPolarHBondContact CB-OE1 3.33Å; R167-E201 WeakPolarHBondContact CD-OE1 3.44Å; A197-E201 PolarHBondContact O-N 2.9Å; A197-E201 VanDerWaalsContact O-N 3.07Å; N198-E201 PolarHBondContact O-N 3.1Å; E201-G203 VanDerWaalsContact C-N 3.27Å; E201-G203 PolarHBondContact O-N 2.97Å; E201-G204 WeakPolarHBondContact O-CA 3.17Å; E201-G204 PolarHBondContact O-N 2.96Å |
| 202 | A | 90.9 | Very high | 93.8 | Very high | 43 Ų | 43 | 27.3 Ų | 27.3 | 36% | 0.355 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -59.4 | -38.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | R167 N198 K199 G204 | R167-A202 PolarHBondContact NH1-O 3.16Å; R167-A202 VanDerWaalsContact NH1-O 3.16Å; N198-A202 PolarHBondContact O-N 3.17Å; K199-A202 PolarHBondContact O-N 3.21Å; A202-G204 VanDerWaalsContact C-N 3.3Å |
| 203 | G | 91.2 | Very high | 94 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 2.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | K199 E201 R233 | K199-G203 PolarHBondContact O-N 3.5Å; E201-G203 VanDerWaalsContact C-N 3.27Å; E201-G203 PolarHBondContact O-N 2.97Å; G203-R233 VanDerWaalsContact O-CZ 3.29Å; G203-R233 PolarHBondContact O-NE 3.43Å; G203-R233 PolarHBondContact O-NH2 3.18Å |
| 204 | G | 92.1 | Very high | 94.1 | Very high | 3 Ų | 3 | 28.9 Ų | 28.9 | 3% | 0.031 | 17% | 0.165 | C | C | . | . | P | Polyproline II helix | trans | -74.3 | 160.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | M200 E201 A202 | M200-G204 PolarHBondContact O-N 3.39Å; M200-G204 VanDerWaalsContact O-N 3.09Å; E201-G204 WeakPolarHBondContact O-CA 3.17Å; E201-G204 PolarHBondContact O-N 2.96Å; A202-G204 VanDerWaalsContact C-N 3.3Å |
| 205 | I | 93.1 | Very high | 94.2 | Very high | 60 Ų | 60 | 28 Ų | 28 | 31% | 0.308 | 16% | 0.16 | S | C | . | . | P | Polyproline II helix | trans | -100 | 131.1 | 176.5 | -57.5 | -175 | 0 | 0 | 0 | 108.2 | G207 R208 L246 | I205-G207 PolarHBondContact O-N 2.81Å; I205-R208 HydrophobicContact CB-CB 4.29Å; I205-R208 HydrophobicContact CB-CG 4.28Å; I205-R208 HydrophobicContact CG2-CG 4.21Å; I205-R208 PolarHBondContact O-N 3.39Å; I205-R208 VanDerWaalsContact O-N 3.1Å; I205-L246 HydrophobicContact CD1-CD1 3.59Å; I205-L246 HydrophobicContact CG1-CD1 4.34Å; I205-L246 HydrophobicContact CG1-CD2 4.46Å |
| 206 | P | 93 | Very high | 94.3 | Very high | 50 Ų | 50 | 27.8 Ų | 27.8 | 33% | 0.325 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52 | 136 | 175.9 | -24.3 | 32.6 | 0 | 0 | 0 | 112.1 | V81 D165 R167 R208 | V81-P206 HydrophobicContact CG1-CG 4.41Å; V81-P206 HydrophobicContact CG2-CB 4.14Å; V81-P206 HydrophobicContact CG2-CG 4.07Å; D165-P206 HydrophobicContact CB-CB 4.12Å; R167-P206 HydrophobicContact CG-CG 4.24Å; P206-R208 VanDerWaalsContact C-N 3.26Å; P206-R208 PolarHBondContact O-N 2.89Å |
| 207 | G | 91.8 | Very high | 94.2 | Very high | 25 Ų | 25 | 33.1 Ų | 33.1 | 26% | 0.258 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.8 | 6.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | D165 M166 I205 | D165-G207 WeakPolarHBondContact OD1-CA 3.45Å; D165-G207 PolarHBondContact OD1-N 3.46Å; M166-G207 PolarHBondContact O-N 3.03Å; I205-G207 PolarHBondContact O-N 2.81Å |
| 208 | R | 93.6 | Very high | 94 | Very high | 68 Ų | 68 | 35 Ų | 35 | 26% | 0.257 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -126.4 | 150.1 | 180 | -57.2 | -65.5 | -61.4 | -77.2 | -2.1 | 110.7 | I205 P206 E226 L246 V247 | I205-R208 HydrophobicContact CB-CB 4.29Å; I205-R208 HydrophobicContact CB-CG 4.28Å; I205-R208 HydrophobicContact CG2-CG 4.21Å; I205-R208 PolarHBondContact O-N 3.39Å; I205-R208 VanDerWaalsContact O-N 3.1Å; P206-R208 VanDerWaalsContact C-N 3.26Å; P206-R208 PolarHBondContact O-N 2.89Å; R208-E226 IonicContact CZ-OE1 3.6Å; R208-E226 IonicContact NH1-OE1 3.8Å; R208-E226 PolarHBondContact NH1-OE1 2.48Å; R208-E226 IonicContact NH2-OE1 3.29Å; R208-E226 PolarHBondContact NH2-OE1 2.9Å; R208-L246 HydrophobicContact CB-CD2 4.02Å; R208-V247 PolarHBondContact NE-O 3.28Å; R208-V247 PolarHBondContact NH2-O 3.15Å |
| 209 | V | 96.3 | Very high | 93.7 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 117.1 | 172.4 | -179.3 | 0 | 0 | 0 | 0 | 108.8 | L147 V168 V170 I211 V247 | L147-V209 HydrophobicContact CD2-CG2 3.82Å; L147-V209 HydrophobicContact CG-CG2 4.08Å; V168-V209 HydrophobicContact CB-CG2 4.29Å; V168-V209 HydrophobicContact CG1-CG1 4.32Å; V168-V209 HydrophobicContact CG1-CG2 4.42Å; V170-V209 HydrophobicContact CG2-CG1 3.97Å; V209-I211 HydrophobicContact CG1-CG2 3.96Å; V209-V247 HydrophobicContact CB-CB 4.23Å; V209-V247 HydrophobicContact CB-CG2 4.14Å; V209-V247 HydrophobicContact CG1-CG2 4.13Å; V209-V247 PolarHBondContact O-N 2.99Å |
| 210 | H | 97 | Very high | 93.3 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 124.1 | -178.6 | -171.7 | -151.4 | 0 | 0 | 0 | 109.8 | V168 G169 V170 M200 T244 Y245 L246 | V168-H210 PolarHBondContact O-N 3.27Å; G169-H210 CarbonylContact C-O 3.48Å; G169-H210 WeakPolarHBondContact CA-O 3.11Å; V170-H210 PolarHBondContact N-O 2.9Å; M200-H210 HydrophobicContact CE-CB 4.44Å; M200-H210 PolarHBondContact O-ND1 3.26Å; H210-T244 WeakPolarHBondContact NE2-CB 3.5Å; H210-T244 PolarHBondContact NE2-OG1 3.26Å; H210-Y245 PolarHBondContact CD2-O 3.48Å; H210-Y245 VanDerWaalsContact CD2-O 3.32Å; H210-L246 HydrophobicContact CB-CD2 3.89Å |
| 211 | I | 96.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 148.6 | -173 | 72.3 | 172.2 | 0 | 0 | 0 | 111.7 | I143 V170 M200 V209 T215 M216 L219 V225 T244 Y245 V247 | I143-I211 HydrophobicContact CD1-CD1 4.21Å; I143-I211 HydrophobicContact CD1-CG2 4Å; I143-I211 HydrophobicContact CG1-CG2 4.16Å; V170-I211 HydrophobicContact CB-CG2 4.1Å; V170-I211 WeakPolarHBondContact O-CA 3.13Å; M200-I211 VanDerWaalsContact CE-O 3.24Å; M200-I211 WeakPolarHBondContact CE-O 3.31Å; V209-I211 HydrophobicContact CG1-CG2 3.96Å; I211-T215 HydrophobicContact CB-CG2 4.12Å; I211-T215 HydrophobicContact CG2-CG2 4.38Å; I211-M216 HydrophobicContact CD1-CB 4.28Å; I211-M216 HydrophobicContact CD1-SD 4.43Å; I211-L219 HydrophobicContact CD1-CD1 3.72Å; I211-V225 HydrophobicContact CD1-CG1 3.89Å; I211-T244 WeakPolarHBondContact O-CA 3.49Å; I211-Y245 PolarHBondContact N-O 3.4Å; I211-Y245 PolarHBondContact O-N 3.44Å; I211-V247 HydrophobicContact CD1-CG2 4.19Å; I211-V247 HydrophobicContact CG2-CG2 3.82Å |
| 212 | S | 96.5 | Very high | 92 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 164.7 | 175 | 70.8 | 0 | 0 | 0 | 0 | 112.1 | V170 H171 S214 T215 M216 | V170-S212 PolarHBondContact O-N 3.13Å; H171-S212 VanDerWaalsContact ND1-CB 3.26Å; H171-S212 WeakPolarHBondContact ND1-CB 3.35Å; H171-S212 PolarHBondContact ND1-OG 2.92Å; S212-S214 VanDerWaalsContact C-N 3.32Å; S212-S214 PolarHBondContact O-N 3.01Å; S212-S214 PolarHBondContact OG-N 2.82Å; S212-T215 WeakPolarHBondContact O-CB 3.3Å; S212-T215 PolarHBondContact O-N 3.42Å; S212-T215 PolarHBondContact OG-N 3.47Å; S212-T215 PolarHBondContact OG-OG1 3.37Å; S212-T215 VanDerWaalsContact OG-OG1 3.1Å; S212-M216 PolarHBondContact O-N 3.12Å |
| 213 | Q | 94.6 | Very high | 92 | Very high | 71 Ų | 71 | 44.2 Ų | 44.2 | 33% | 0.332 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -50.7 | -49.2 | 168.3 | -174.8 | -175.9 | -15.1 | 0 | 0 | 112.6 | T215 M216 E217 E243 Y245 | Q213-T215 PolarHBondContact O-N 3.17Å; Q213-T215 VanDerWaalsContact O-N 3.16Å; Q213-M216 WeakPolarHBondContact O-CA 3.49Å; Q213-M216 WeakPolarHBondContact O-CB 3.38Å; Q213-M216 PolarHBondContact O-N 2.68Å; Q213-E217 WeakPolarHBondContact CG-OE1 2.97Å; Q213-E217 PolarHBondContact NE2-OE1 2.86Å; Q213-E217 PolarHBondContact O-N 2.87Å; Q213-E243 HydrophobicContact CB-CB 4.16Å; Q213-E243 PolarHBondContact N-O 2.71Å; Q213-Y245 HydrophobicContact CB-CE2 4.2Å |
| 214 | S | 95.1 | Very high | 92 | Very high | 46 Ų | 46 | 48.8 Ų | 48.8 | 32% | 0.322 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -57.1 | -34.6 | 178.5 | -33.2 | 0 | 0 | 0 | 0 | 112.7 | S172 S212 C218 | S172-S214 VanDerWaalsContact O-CB 3.31Å; S172-S214 WeakPolarHBondContact O-CB 3.38Å; S212-S214 VanDerWaalsContact C-N 3.32Å; S212-S214 PolarHBondContact O-N 3.01Å; S212-S214 PolarHBondContact OG-N 2.82Å; S214-C218 PolarHBondContact O-N 2.99Å; S214-C218 PolarHBondContact O-SG 2.96Å |
| 215 | T | 95.6 | Very high | 92 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -71.3 | -42.8 | 175.8 | -54.9 | 0 | 0 | 0 | 0 | 110.6 | A139 I143 V170 H171 S172 I211 S212 Q213 E217 C218 L219 | A139-T215 HydrophobicContact CB-CG2 4.15Å; I143-T215 HydrophobicContact CD1-CG2 4.43Å; V170-T215 HydrophobicContact CG1-CG2 4.01Å; V170-T215 PolarHBondContact O-OG1 3.45Å; H171-T215 VanDerWaalsContact C-OG1 3.28Å; H171-T215 WeakPolarHBondContact CA-OG1 3.45Å; S172-T215 PolarHBondContact N-OG1 3.04Å; S172-T215 PolarHBondContact OG-OG1 3.46Å; S172-T215 VanDerWaalsContact OG-OG1 3.13Å; I211-T215 HydrophobicContact CB-CG2 4.12Å; I211-T215 HydrophobicContact CG2-CG2 4.38Å; S212-T215 WeakPolarHBondContact O-CB 3.3Å; S212-T215 PolarHBondContact O-N 3.42Å; S212-T215 PolarHBondContact OG-N 3.47Å; S212-T215 PolarHBondContact OG-OG1 3.37Å; S212-T215 VanDerWaalsContact OG-OG1 3.1Å; Q213-T215 PolarHBondContact O-N 3.17Å; Q213-T215 VanDerWaalsContact O-N 3.16Å; T215-E217 VanDerWaalsContact C-N 3.29Å; T215-E217 PolarHBondContact O-N 3.15Å; T215-C218 WeakPolarHBondContact O-CB 3.38Å; T215-C218 PolarHBondContact O-N 2.77Å; T215-C218 VanDerWaalsContact O-N 3.07Å; T215-L219 WeakPolarHBondContact O-CG 3.18Å; T215-L219 PolarHBondContact O-N 3.11Å |
| 216 | M | 93.9 | Very high | 92 | Very high | 52 Ų | 52 | 51.2 Ų | 51.2 | 26% | 0.256 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -58.6 | -40.9 | 178.5 | -179 | 56.8 | -170.6 | 0 | 0 | 112.1 | I211 S212 Q213 C218 L219 V225 Y245 | I211-M216 HydrophobicContact CD1-CB 4.28Å; I211-M216 HydrophobicContact CD1-SD 4.43Å; S212-M216 PolarHBondContact O-N 3.12Å; Q213-M216 WeakPolarHBondContact O-CA 3.49Å; Q213-M216 WeakPolarHBondContact O-CB 3.38Å; Q213-M216 PolarHBondContact O-N 2.68Å; M216-C218 VanDerWaalsContact C-N 3.25Å; M216-C218 PolarHBondContact O-N 3.2Å; M216-L219 PolarHBondContact O-N 2.96Å; M216-L219 VanDerWaalsContact O-N 3.11Å; M216-L219 HydrophobicContact SD-CD1 4.05Å; M216-V225 HydrophobicContact CE-CG2 3.61Å; M216-V225 HydrophobicContact CG-CG2 4.5Å; M216-V225 HydrophobicContact SD-CB 4.34Å; M216-V225 HydrophobicContact SD-CG1 3.78Å; M216-V225 HydrophobicContact SD-CG2 3.62Å; M216-Y245 HydrophobicContact CB-CD2 4.26Å |
| 217 | E | 92.8 | Very high | 92.1 | Very high | 122 Ų | 122 | 53.3 Ų | 53.3 | 57% | 0.57 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -61.6 | -33.1 | 176.2 | -69.1 | 171.4 | -172.1 | 0 | 0 | 112.2 | Q213 T215 L219 | Q213-E217 WeakPolarHBondContact CG-OE1 2.97Å; Q213-E217 PolarHBondContact NE2-OE1 2.86Å; Q213-E217 PolarHBondContact O-N 2.87Å; T215-E217 VanDerWaalsContact C-N 3.29Å; T215-E217 PolarHBondContact O-N 3.15Å; E217-L219 VanDerWaalsContact C-N 3.34Å; E217-L219 PolarHBondContact O-N 3.49Å |
| 218 | C | 92.3 | Very high | 91.9 | Very high | 39 Ų | 39 | 52.2 Ų | 52.2 | 26% | 0.264 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -7 | 175.8 | -61 | 0 | 0 | 0 | 0 | 114.8 | A139 S214 T215 M216 | A139-C218 HydrophobicContact CB-CB 3.67Å; S214-C218 PolarHBondContact O-N 2.99Å; S214-C218 PolarHBondContact O-SG 2.96Å; T215-C218 WeakPolarHBondContact O-CB 3.38Å; T215-C218 PolarHBondContact O-N 2.77Å; T215-C218 VanDerWaalsContact O-N 3.07Å; M216-C218 VanDerWaalsContact C-N 3.25Å; M216-C218 PolarHBondContact O-N 3.2Å |
| 219 | L | 87.4 | Confident | 91.8 | Very high | 3 Ų | 3 | 53.7 Ų | 53.7 | 2% | 0.016 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -10.2 | -176 | -65.7 | 172.4 | 0 | 0 | 0 | 114.3 | A139 A140 I143 I211 T215 M216 E217 G221 E222 F223 | A139-L219 HydrophobicContact CB-CD2 3.74Å; A139-L219 HydrophobicContact CB-CG 4.48Å; A140-L219 HydrophobicContact CB-CD2 4.48Å; I143-L219 HydrophobicContact CD1-CD1 3.3Å; I143-L219 HydrophobicContact CD1-CD2 3.44Å; I143-L219 VanDerWaalsContact CD1-CD2 3.44Å; I143-L219 HydrophobicContact CD1-CG 3.95Å; I143-L219 HydrophobicContact CG1-CD2 4.41Å; I211-L219 HydrophobicContact CD1-CD1 3.72Å; T215-L219 WeakPolarHBondContact O-CG 3.18Å; T215-L219 PolarHBondContact O-N 3.11Å; M216-L219 PolarHBondContact O-N 2.96Å; M216-L219 VanDerWaalsContact O-N 3.11Å; M216-L219 HydrophobicContact SD-CD1 4.05Å; E217-L219 VanDerWaalsContact C-N 3.34Å; E217-L219 PolarHBondContact O-N 3.49Å; L219-G221 PolarHBondContact O-N 2.75Å; L219-E222 WeakPolarHBondContact O-CB 3.47Å; L219-E222 WeakPolarHBondContact O-CG 3.25Å; L219-E222 PolarHBondContact O-N 3.17Å; L219-F223 HydrophobicContact CD1-CB 4.45Å; L219-F223 HydrophobicContact CD1-CD2 4.36Å; L219-F223 HydrophobicContact CD2-CD2 3.96Å; L219-F223 HydrophobicContact CD2-CE2 4.28Å |
| 220 | H | 84.4 | Confident | 91.2 | Very high | 166 Ų | 166 | 53.7 Ų | 53.7 | 77% | 0.769 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.7 | 28.7 | 179.9 | -55.3 | -57.1 | 0 | 0 | 0 | 114.8 | ||
| 221 | G | 79.3 | Confident | 90.8 | Very high | 60 Ų | 60 | 54.4 Ų | 54.4 | 62% | 0.619 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.8 | 11.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | L219 F223 | L219-G221 PolarHBondContact O-N 2.75Å; G221-F223 VanDerWaalsContact C-N 3.27Å; G221-F223 PolarHBondContact O-N 2.89Å |
| 222 | E | 85.3 | Confident | 90.4 | Very high | 123 Ų | 123 | 60.5 Ų | 60.5 | 58% | 0.575 | 33% | 0.334 | S | S | * | . | trans | -67.1 | -23 | -179.9 | -73 | -175 | -179.4 | 0 | 0 | 114.4 | A140 L219 | A140-E222 VanDerWaalsContact CB-OE2 3.29Å; A140-E222 WeakPolarHBondContact CB-OE2 3.46Å; L219-E222 WeakPolarHBondContact O-CB 3.47Å; L219-E222 WeakPolarHBondContact O-CG 3.25Å; L219-E222 PolarHBondContact O-N 3.17Å | ||
| 223 | F | 89.7 | Confident | 90.2 | Very high | 39 Ų | 39 | 65.5 Ų | 65.5 | 17% | 0.171 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -125.8 | 139.9 | -175.9 | -65.4 | -90.6 | 0 | 0 | 0 | 111.5 | A140 I143 R144 L219 G221 V247 | A140-F223 HydrophobicContact CB-CE2 4.02Å; I143-F223 HydrophobicContact CB-CZ 4.49Å; I143-F223 HydrophobicContact CD1-CD2 4.45Å; I143-F223 HydrophobicContact CG2-CD1 3.99Å; I143-F223 HydrophobicContact CG2-CE1 3.88Å; I143-F223 HydrophobicContact CG2-CG 4.36Å; I143-F223 HydrophobicContact CG2-CZ 4.18Å; R144-F223 HydrophobicContact CG-CE1 4.47Å; R144-F223 HydrophobicContact CG-CZ 3.97Å; L219-F223 HydrophobicContact CD1-CB 4.45Å; L219-F223 HydrophobicContact CD1-CD2 4.36Å; L219-F223 HydrophobicContact CD2-CD2 3.96Å; L219-F223 HydrophobicContact CD2-CE2 4.28Å; G221-F223 VanDerWaalsContact C-N 3.27Å; G221-F223 PolarHBondContact O-N 2.89Å; F223-V247 HydrophobicContact CB-CG1 4.43Å; F223-V247 HydrophobicContact CD1-CG1 4.21Å |
| 224 | N | 90.7 | Very high | 90 | Very high | 97 Ų | 97 | 62.9 Ų | 62.9 | 52% | 0.519 | 34% | 0.342 | S | S | . | . | trans | -77.4 | 131.5 | 170.1 | -69.1 | -36.6 | 0 | 0 | 0 | 109.6 | T248 S250 | N224-T248 WeakPolarHBondContact CB-OG1 3.4Å; N224-T248 PolarHBondContact O-N 3.43Å; N224-T248 PolarHBondContact O-OG1 2.93Å; N224-S250 PolarHBondContact ND2-OG 2.88Å; N224-S250 VanDerWaalsContact ND2-OG 3.15Å | ||
| 225 | V | 92.6 | Very high | 89.8 | Confident | 40 Ų | 40 | 65 Ų | 65 | 24% | 0.242 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 149.9 | -178.7 | -58.4 | 0 | 0 | 0 | 0 | 111.3 | I211 M216 Y245 L246 | I211-V225 HydrophobicContact CD1-CG1 3.89Å; M216-V225 HydrophobicContact CE-CG2 3.61Å; M216-V225 HydrophobicContact CG-CG2 4.5Å; M216-V225 HydrophobicContact SD-CB 4.34Å; M216-V225 HydrophobicContact SD-CG1 3.78Å; M216-V225 HydrophobicContact SD-CG2 3.62Å; V225-Y245 HydrophobicContact CG2-CD1 3.93Å; V225-Y245 HydrophobicContact CG2-CG 4.33Å; V225-L246 WeakPolarHBondContact CA-O 3.3Å |
| 226 | E | 94.3 | Very high | 89.4 | Confident | 74 Ų | 74 | 67.6 Ų | 67.6 | 35% | 0.346 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 157.8 | 171.7 | 68.3 | -175.1 | 170 | 0 | 0 | 110.5 | R208 G228 Y245 L246 T248 | R208-E226 IonicContact CZ-OE1 3.6Å; R208-E226 IonicContact NH1-OE1 3.8Å; R208-E226 PolarHBondContact NH1-OE1 2.48Å; R208-E226 IonicContact NH2-OE1 3.29Å; R208-E226 PolarHBondContact NH2-OE1 2.9Å; E226-G228 PolarHBondContact O-N 2.9Å; E226-Y245 CarbonylContact O-C 3.5Å; E226-Y245 VanDerWaalsContact O-CA 3.24Å; E226-Y245 WeakPolarHBondContact O-CA 3.28Å; E226-L246 HydrophobicContact CG-CB 3.85Å; E226-L246 PolarHBondContact N-O 3.25Å; E226-L246 PolarHBondContact O-N 3.01Å; E226-T248 HydrophobicContact CB-CG2 4.02Å; E226-T248 HydrophobicContact CG-CG2 3.87Å |
| 227 | P | 93.6 | Very high | 89.3 | Confident | 94 Ų | 94 | 65.1 Ų | 65.1 | 61% | 0.61 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56.4 | 126.7 | 175.2 | -25.2 | 34.9 | 0 | 0 | 0 | 111.9 | ||
| 228 | G | 88.6 | Confident | 89.2 | Confident | 2 Ų | 2 | 65.8 Ų | 65.8 | 2% | 0.021 | 35% | 0.345 | C | S | . | . | trans | -88.7 | -23.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | E226 G230 R233 T244 | E226-G228 PolarHBondContact O-N 2.9Å; G228-G230 PolarHBondContact O-N 3.31Å; G228-R233 VanDerWaalsContact O-CZ 3.31Å; G228-R233 PolarHBondContact O-NH1 3.35Å; G228-R233 PolarHBondContact O-NH2 3.37Å; G228-T244 PolarHBondContact N-O 3.47Å | ||
| 229 | N | 90.4 | Very high | 89.1 | Confident | 99 Ų | 99 | 71.2 Ų | 71.2 | 53% | 0.529 | 37% | 0.367 | S | S | . | . | trans | 46.9 | 44.8 | -175.8 | -60.4 | -23.4 | 0 | 0 | 0 | 112.7 | G231 D232 R233 | N229-G231 PolarHBondContact O-N 2.94Å; N229-D232 PolarHBondContact O-N 2.83Å; N229-R233 PolarHBondContact O-NH1 2.92Å | ||
| 230 | G | 85.3 | Confident | 89.2 | Confident | 1 Ų | 1 | 78.9 Ų | 78.9 | 1% | 0.01 | 40% | 0.395 | C | S | . | . | G | 310 helix | trans | -61.9 | -30.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | G228 D232 R233 C234 T244 | G228-G230 PolarHBondContact O-N 3.31Å; G230-D232 PolarHBondContact O-N 3.3Å; G230-R233 PolarHBondContact O-N 3.45Å; G230-C234 PolarHBondContact O-N 3.17Å; G230-T244 WeakPolarHBondContact CA-OG1 3.36Å; G230-T244 PolarHBondContact N-OG1 3.41Å |
| 231 | G | 87 | Confident | 89.5 | Confident | 15 Ų | 15 | 73.9 Ų | 73.9 | 16% | 0.155 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -62.7 | -22 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | N229 R233 | N229-G231 PolarHBondContact O-N 2.94Å; G231-R233 VanDerWaalsContact C-N 3.29Å |
| 232 | D | 89.9 | Confident | 90.1 | Very high | 128 Ų | 128 | 72.9 Ų | 72.9 | 68% | 0.684 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -74.2 | -25.1 | 175.1 | -63.8 | -20.4 | 0 | 0 | 0 | 112 | N229 G230 | N229-D232 PolarHBondContact O-N 2.83Å; G230-D232 PolarHBondContact O-N 3.3Å |
| 233 | R | 91.4 | Very high | 90.5 | Very high | 104 Ų | 104 | 72 Ų | 72 | 39% | 0.392 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | -14.7 | -174.4 | -61.1 | -175.4 | -60.8 | -79.9 | -0.3 | 113.2 | G203 G228 N229 G230 G231 | G203-R233 VanDerWaalsContact O-CZ 3.29Å; G203-R233 PolarHBondContact O-NE 3.43Å; G203-R233 PolarHBondContact O-NH2 3.18Å; G228-R233 VanDerWaalsContact O-CZ 3.31Å; G228-R233 PolarHBondContact O-NH1 3.35Å; G228-R233 PolarHBondContact O-NH2 3.37Å; N229-R233 PolarHBondContact O-NH1 2.92Å; G230-R233 PolarHBondContact O-N 3.45Å; G231-R233 VanDerWaalsContact C-N 3.29Å |
| 234 | C | 90.8 | Very high | 90.7 | Very high | 16 Ų | 16 | 70.6 Ų | 70.6 | 11% | 0.108 | 36% | 0.359 | C | S | . | . | trans | -140.9 | 113.9 | 179.6 | -170.4 | 0 | 0 | 0 | 0 | 111.2 | G230 Y236 L237 R238 | G230-C234 PolarHBondContact O-N 3.17Å; C234-Y236 VanDerWaalsContact C-N 3.25Å; C234-Y236 PolarHBondContact O-N 2.75Å; C234-L237 HydrophobicContact CB-CB 4.28Å; C234-L237 HydrophobicContact CB-CD1 3.84Å; C234-L237 HydrophobicContact CB-CG 3.89Å; C234-L237 PolarHBondContact O-N 3.13Å; C234-L237 VanDerWaalsContact O-N 3.17Å; C234-R238 PolarHBondContact O-N 3.11Å | ||
| 235 | D | 89.9 | Confident | 91 | Very high | 92 Ų | 92 | 68.7 Ų | 68.7 | 49% | 0.492 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -58.4 | -37.8 | -179 | -60.7 | -42.5 | 0 | 0 | 0 | 112.2 | L237 R238 E239 | D235-L237 PolarHBondContact O-N 3.29Å; D235-R238 WeakPolarHBondContact O-CB 3.11Å; D235-R238 PolarHBondContact O-N 3.16Å; D235-R238 VanDerWaalsContact O-N 3.16Å; D235-R238 IonicContact OD1-CZ 3.2Å; D235-R238 IonicContact OD1-NH1 3.36Å; D235-R238 PolarHBondContact OD1-NH1 2.7Å; D235-R238 IonicContact OD1-NH2 2.78Å; D235-R238 PolarHBondContact OD1-NH2 2.78Å; D235-E239 WeakPolarHBondContact O-CB 3.33Å; D235-E239 WeakPolarHBondContact O-CG 3.42Å; D235-E239 PolarHBondContact O-N 2.79Å |
| 236 | Y | 89.1 | Confident | 91.1 | Very high | 53 Ų | 53 | 67 Ų | 67 | 21% | 0.208 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61 | -41.8 | 178.9 | -174.5 | -87.3 | 0 | 0 | 0 | 112.8 | T195 V196 K199 C234 R238 R240 | T195-Y236 HydrophobicContact CG2-CE2 4.48Å; V196-Y236 HydrophobicContact CG2-CE1 4.23Å; K199-Y236 HydrophobicContact CB-CD1 4.1Å; K199-Y236 HydrophobicContact CD-CG 4.46Å; K199-Y236 HydrophobicContact CG-CD1 3.63Å; K199-Y236 HydrophobicContact CG-CE1 4.25Å; K199-Y236 HydrophobicContact CG-CG 3.88Å; C234-Y236 VanDerWaalsContact C-N 3.25Å; C234-Y236 PolarHBondContact O-N 2.75Å; Y236-R238 VanDerWaalsContact C-N 3.3Å; Y236-R238 PolarHBondContact O-N 3.3Å; Y236-R240 HydrophobicContact CD1-CG 4.35Å; Y236-R240 HydrophobicContact CE1-CG 4.02Å; Y236-R240 WeakPolarHBondContact O-CB 3.43Å; Y236-R240 WeakPolarHBondContact O-CG 3.35Å; Y236-R240 PolarHBondContact O-N 3.14Å; Y236-R240 VanDerWaalsContact O-N 3.12Å |
| 237 | L | 91.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67 | -36 | 178.3 | -61.7 | 179.2 | 0 | 0 | 0 | 110.9 | K199 M200 C234 D235 G241 I242 T244 | K199-L237 HydrophobicContact CB-CD2 3.93Å; K199-L237 HydrophobicContact CB-CG 4.22Å; M200-L237 HydrophobicContact CG-CD2 4.44Å; M200-L237 HydrophobicContact SD-CD1 3.87Å; M200-L237 HydrophobicContact SD-CD2 3.89Å; C234-L237 HydrophobicContact CB-CB 4.28Å; C234-L237 HydrophobicContact CB-CD1 3.84Å; C234-L237 HydrophobicContact CB-CG 3.89Å; C234-L237 PolarHBondContact O-N 3.13Å; C234-L237 VanDerWaalsContact O-N 3.17Å; D235-L237 PolarHBondContact O-N 3.29Å; L237-G241 PolarHBondContact O-N 2.84Å; L237-I242 HydrophobicContact CD2-CD1 4.19Å; L237-I242 PolarHBondContact O-N 3.43Å; L237-T244 HydrophobicContact CD1-CG2 4.27Å |
| 238 | R | 90.4 | Very high | 90.8 | Very high | 137 Ų | 137 | 61.1 Ų | 61.1 | 52% | 0.517 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -68.6 | -47.8 | 176.3 | -173 | 174.4 | 65.8 | -138.4 | -4.3 | 112.1 | C234 D235 Y236 R240 G241 | C234-R238 PolarHBondContact O-N 3.11Å; D235-R238 WeakPolarHBondContact O-CB 3.11Å; D235-R238 PolarHBondContact O-N 3.16Å; D235-R238 VanDerWaalsContact O-N 3.16Å; D235-R238 IonicContact OD1-CZ 3.2Å; D235-R238 IonicContact OD1-NH1 3.36Å; D235-R238 PolarHBondContact OD1-NH1 2.7Å; D235-R238 IonicContact OD1-NH2 2.78Å; D235-R238 PolarHBondContact OD1-NH2 2.78Å; Y236-R238 VanDerWaalsContact C-N 3.3Å; Y236-R238 PolarHBondContact O-N 3.3Å; R238-R240 VanDerWaalsContact C-N 3.27Å; R238-R240 PolarHBondContact O-N 2.69Å; R238-G241 PolarHBondContact O-N 3.49Å; R238-G241 VanDerWaalsContact O-N 3.11Å |
| 239 | E | 90.5 | Very high | 90.2 | Very high | 153 Ų | 153 | 66 Ų | 66 | 72% | 0.715 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -61.4 | -35.4 | 179.5 | -74.6 | 171.5 | -173 | 0 | 0 | 112.4 | D235 | D235-E239 WeakPolarHBondContact O-CB 3.33Å; D235-E239 WeakPolarHBondContact O-CG 3.42Å; D235-E239 PolarHBondContact O-N 2.79Å |
| 240 | R | 88.6 | Confident | 88.6 | Confident | 164 Ų | 164 | 64.8 Ų | 64.8 | 62% | 0.619 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -5.5 | 177.3 | -69.2 | -73.4 | -177.1 | 161.6 | -1.5 | 113.9 | Y236 R238 I242 | Y236-R240 HydrophobicContact CD1-CG 4.35Å; Y236-R240 HydrophobicContact CE1-CG 4.02Å; Y236-R240 WeakPolarHBondContact O-CB 3.43Å; Y236-R240 WeakPolarHBondContact O-CG 3.35Å; Y236-R240 PolarHBondContact O-N 3.14Å; Y236-R240 VanDerWaalsContact O-N 3.12Å; R238-R240 VanDerWaalsContact C-N 3.27Å; R238-R240 PolarHBondContact O-N 2.69Å; R240-I242 VanDerWaalsContact C-N 3.29Å; R240-I242 HydrophobicContact CB-CD1 3.87Å; R240-I242 HydrophobicContact CB-CG1 3.81Å; R240-I242 PolarHBondContact O-N 2.88Å |
| 241 | G | 90.9 | Very high | 86.5 | Confident | 60 Ų | 60 | 74.1 Ų | 74.1 | 62% | 0.619 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.9 | 32.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L237 R238 E243 | L237-G241 PolarHBondContact O-N 2.84Å; R238-G241 PolarHBondContact O-N 3.49Å; R238-G241 VanDerWaalsContact O-N 3.11Å; G241-E243 PolarHBondContact O-N 2.89Å |
| 242 | I | 91.3 | Very high | 84 | Confident | 39 Ų | 39 | 80.3 Ų | 80.3 | 20% | 0.2 | 40% | 0.4 | C | S | . | . | trans | -82.4 | 117 | -176.8 | -59.8 | 174.8 | 0 | 0 | 0 | 109.2 | V196 L237 R240 T244 | V196-I242 HydrophobicContact CB-CD1 4.46Å; V196-I242 HydrophobicContact CG1-CD1 3.75Å; V196-I242 HydrophobicContact CG2-CD1 3.81Å; L237-I242 HydrophobicContact CD2-CD1 4.19Å; L237-I242 PolarHBondContact O-N 3.43Å; R240-I242 VanDerWaalsContact C-N 3.29Å; R240-I242 HydrophobicContact CB-CD1 3.87Å; R240-I242 HydrophobicContact CB-CG1 3.81Å; R240-I242 PolarHBondContact O-N 2.88Å; I242-T244 HydrophobicContact CG2-CG2 4.32Å | ||
| 243 | E | 93.4 | Very high | 81.5 | Confident | 104 Ų | 104 | 79.7 Ų | 79.7 | 49% | 0.486 | 40% | 0.403 | S | S | . | . | trans | -71.2 | 138.8 | 170.7 | -66.4 | -172.6 | 177.2 | 0 | 0 | 111.1 | Q213 G241 Y245 | Q213-E243 HydrophobicContact CB-CB 4.16Å; Q213-E243 PolarHBondContact N-O 2.71Å; G241-E243 PolarHBondContact O-N 2.89Å; E243-Y245 HydrophobicContact CB-CE2 4.25Å; E243-Y245 PolarHBondContact OE2-OH 3.34Å; E243-Y245 VanDerWaalsContact OE2-OH 3.04Å | ||
| 244 | T | 95.4 | Very high | 78.9 | Confident | 11 Ų | 11 | 83.4 Ų | 83.4 | 7% | 0.067 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 152.8 | -174.9 | 79.4 | 0 | 0 | 0 | 0 | 112.9 | M200 H210 I211 G228 G230 L237 I242 | M200-T244 HydrophobicContact CE-CG2 3.81Å; M200-T244 HydrophobicContact SD-CG2 3.56Å; M200-T244 VanDerWaalsContact SD-CG2 3.56Å; H210-T244 WeakPolarHBondContact NE2-CB 3.5Å; H210-T244 PolarHBondContact NE2-OG1 3.26Å; I211-T244 WeakPolarHBondContact O-CA 3.49Å; G228-T244 PolarHBondContact N-O 3.47Å; G230-T244 WeakPolarHBondContact CA-OG1 3.36Å; G230-T244 PolarHBondContact N-OG1 3.41Å; L237-T244 HydrophobicContact CD1-CG2 4.27Å; I242-T244 HydrophobicContact CG2-CG2 4.32Å |
| 245 | Y | 95.8 | Very high | 76.1 | Confident | 56 Ų | 56 | 86 Ų | 86 | 22% | 0.22 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 150.6 | -173 | -57.5 | -92.3 | 0 | 0 | 0 | 110.8 | H210 I211 Q213 M216 V225 E226 E243 | H210-Y245 PolarHBondContact CD2-O 3.48Å; H210-Y245 VanDerWaalsContact CD2-O 3.32Å; I211-Y245 PolarHBondContact N-O 3.4Å; I211-Y245 PolarHBondContact O-N 3.44Å; Q213-Y245 HydrophobicContact CB-CE2 4.2Å; M216-Y245 HydrophobicContact CB-CD2 4.26Å; V225-Y245 HydrophobicContact CG2-CD1 3.93Å; V225-Y245 HydrophobicContact CG2-CG 4.33Å; E226-Y245 CarbonylContact O-C 3.5Å; E226-Y245 VanDerWaalsContact O-CA 3.24Å; E226-Y245 WeakPolarHBondContact O-CA 3.28Å; E243-Y245 HydrophobicContact CB-CE2 4.25Å; E243-Y245 PolarHBondContact OE2-OH 3.34Å; E243-Y245 VanDerWaalsContact OE2-OH 3.04Å |
| 246 | L | 95.8 | Very high | 73.2 | Confident | 6 Ų | 6 | 93 Ų | 93 | 3% | 0.031 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 132 | 171.9 | -68.5 | 163 | 0 | 0 | 0 | 109.3 | I205 R208 H210 V225 E226 T248 | I205-L246 HydrophobicContact CD1-CD1 3.59Å; I205-L246 HydrophobicContact CG1-CD1 4.34Å; I205-L246 HydrophobicContact CG1-CD2 4.46Å; R208-L246 HydrophobicContact CB-CD2 4.02Å; H210-L246 HydrophobicContact CB-CD2 3.89Å; V225-L246 WeakPolarHBondContact CA-O 3.3Å; E226-L246 HydrophobicContact CG-CB 3.85Å; E226-L246 PolarHBondContact N-O 3.25Å; E226-L246 PolarHBondContact O-N 3.01Å; L246-T248 PolarHBondContact O-N 2.94Å |
| 247 | V | 94.1 | Very high | 70.4 | Confident | 2 Ų | 2 | 98 Ų | 98 | 1% | 0.012 | 51% | 0.509 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 129.9 | 176.2 | -177.7 | 0 | 0 | 0 | 0 | 108.9 | I143 R208 V209 I211 F223 | I143-V247 HydrophobicContact CD1-CG2 4.04Å; I143-V247 HydrophobicContact CG2-CG1 4.05Å; I143-V247 HydrophobicContact CG2-CG2 3.94Å; R208-V247 PolarHBondContact NE-O 3.28Å; R208-V247 PolarHBondContact NH2-O 3.15Å; V209-V247 HydrophobicContact CB-CB 4.23Å; V209-V247 HydrophobicContact CB-CG2 4.14Å; V209-V247 HydrophobicContact CG1-CG2 4.13Å; V209-V247 PolarHBondContact O-N 2.99Å; I211-V247 HydrophobicContact CD1-CG2 4.19Å; I211-V247 HydrophobicContact CG2-CG2 3.82Å; F223-V247 HydrophobicContact CB-CG1 4.43Å; F223-V247 HydrophobicContact CD1-CG1 4.21Å |
| 248 | T | 87.4 | Confident | 68 | Low | 41 Ų | 41 | 101.7 Ų | 101.7 | 25% | 0.252 | 55% | 0.547 | S | S | . | . | trans | -98.4 | 126.5 | 173.7 | 58.1 | 0 | 0 | 0 | 0 | 109 | N224 E226 L246 S250 | N224-T248 WeakPolarHBondContact CB-OG1 3.4Å; N224-T248 PolarHBondContact O-N 3.43Å; N224-T248 PolarHBondContact O-OG1 2.93Å; E226-T248 HydrophobicContact CB-CG2 4.02Å; E226-T248 HydrophobicContact CG-CG2 3.87Å; L246-T248 PolarHBondContact O-N 2.94Å; T248-S250 PolarHBondContact O-N 2.59Å | ||
| 249 | V | 75.8 | Confident | 65.3 | Low | 105 Ų | 105 | 103.2 Ų | 103.2 | 64% | 0.636 | 56% | 0.564 | S | S | * | * | trans | -79.9 | 114.7 | 170.7 | -175.9 | 0 | 0 | 0 | 0 | 106.1 | L147 K251 | L147-V249 HydrophobicContact CD2-CG2 3.81Å; V249-K251 PolarHBondContact O-N 2.74Å | ||
| 250 | S | 55.6 | Low | 62.2 | Low | 73 Ų | 73 | 100.7 Ų | 100.7 | 51% | 0.51 | 56% | 0.563 | S | S | . | * | trans | -56.5 | 105.8 | 174.2 | -60.9 | 0 | 0 | 0 | 0 | 108.8 | N224 T248 D252 | N224-S250 PolarHBondContact ND2-OG 2.88Å; N224-S250 VanDerWaalsContact ND2-OG 3.15Å; T248-S250 PolarHBondContact O-N 2.59Å; S250-D252 VanDerWaalsContact C-N 3.34Å; S250-D252 PolarHBondContact O-N 3.45Å; S250-D252 VanDerWaalsContact O-N 3.15Å | ||
| 251 | K | 42.8 | Very low | 59.3 | Low | 198 Ų | 198 | 98.8 Ų | 98.8 | 86% | 0.861 | 57% | 0.572 | S | S | * | * | trans | -73 | 97.2 | 159.1 | -80.4 | -177.1 | 177 | 176.3 | 0 | 105.3 | V249 P253 | V249-K251 PolarHBondContact O-N 2.74Å; K251-P253 VanDerWaalsContact O-CD 3.26Å; K251-P253 WeakPolarHBondContact O-CD 3.32Å; K251-P253 VanDerWaalsContact O-N 3.1Å | ||
| 252 | D | 33 | Very low | 56.2 | Low | 145 Ų | 145 | 102.6 Ų | 102.6 | 78% | 0.775 | 58% | 0.583 | S | S | * | * | trans | -51.6 | 121 | 173 | -89.3 | -26.6 | 0 | 0 | 0 | 109.4 | S250 | S250-D252 VanDerWaalsContact C-N 3.34Å; S250-D252 PolarHBondContact O-N 3.45Å; S250-D252 VanDerWaalsContact O-N 3.15Å | ||
| 253 | P | 37.3 | Very low | 53 | Low | 115 Ų | 115 | 109.3 Ų | 109.3 | 75% | 0.747 | 61% | 0.61 | S | S | * | * | trans | -72.2 | 132.5 | 167.4 | -0.1 | 15.6 | 0 | 0 | 0 | 108.2 | K251 G255 | K251-P253 VanDerWaalsContact O-CD 3.26Å; K251-P253 WeakPolarHBondContact O-CD 3.32Å; K251-P253 VanDerWaalsContact O-N 3.1Å; P253-G255 PolarHBondContact O-N 3.5Å | ||
| 254 | L | 37.4 | Very low | 50.2 | Low | 182 Ų | 182 | 112.4 Ų | 112.4 | 95% | 0.953 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -45.6 | 121.4 | 168.7 | -104.4 | 78.8 | 0 | 0 | 0 | 111.7 | ||
| 255 | G | 31.8 | Very low | 46.7 | Very low | 70 Ų | 70 | 116.2 Ų | 116.2 | 72% | 0.722 | 66% | 0.657 | S | S | * | * | trans | 108.2 | 97.4 | 141.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | P253 | P253-G255 PolarHBondContact O-N 3.5Š| ||
| 256 | R | 30.5 | Very low | 43.7 | Very low | 239 Ų | 239 | 119.9 Ų | 119.9 | 90% | 0.902 | 69% | 0.685 | S | S | * | * | S | Bend | 172.3 | 99.5 | 113.6 | -100 | 178.2 | 168.7 | 172.1 | -3 | 110.9 | |||
| 257 | N | 29.8 | Very low | 40.3 | Very low | 159 Ų | 159 | 125.4 Ų | 125.4 | 85% | 0.85 | 72% | 0.718 | S | S | * | * | 166.3 | 121.5 | 124.9 | -80.4 | -15 | 0 | 0 | 0 | 107.6 | I259 | N257-I259 PolarHBondContact O-N 2.9Š| |||
| 258 | G | 40 | Very low | 37.2 | Very low | 77 Ų | 77 | 130.8 Ų | 130.8 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | trans | -65.2 | 122.6 | -167 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 259 | I | 33.8 | Very low | 34.3 | Very low | 169 Ų | 169 | 134.2 Ų | 134.2 | 87% | 0.867 | 78% | 0.782 | S | S | * | * | S | Bend | -152.4 | 140.8 | 127.9 | -81.4 | 134.2 | 0 | 0 | 0 | 105.3 | N257 | N257-I259 PolarHBondContact O-N 2.9Š| |
| 260 | S | 26.5 | Very low | 32.1 | Very low | 100 Ų | 100 | 137.3 Ų | 137.3 | 70% | 0.699 | 80% | 0.795 | S | S | * | * | trans | -35.3 | 145.1 | -167.8 | -44.4 | 0 | 0 | 0 | 0 | 117.7 | V262 | S260-V262 PolarHBondContact O-N 3.3Š| ||
| 261 | P | 26.3 | Very low | 31 | Very low | 123 Ų | 123 | 136.9 Ų | 136.9 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | trans | -77 | 118.4 | -178.5 | 32 | -31 | 0 | 0 | 0 | 110.2 | K263 | P261-K263 PolarHBondContact O-N 2.93Š| ||
| 262 | V | 27 | Very low | 30.2 | Very low | 141 Ų | 141 | 135.1 Ų | 135.1 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | trans | -75.3 | 87 | 161.5 | -179.9 | 0 | 0 | 0 | 0 | 107 | S260 L264 | S260-V262 PolarHBondContact O-N 3.3Å; V262-L264 PolarHBondContact O-N 3.28Å | ||
| 263 | K | 24.4 | Very low | 30.3 | Very low | 179 Ų | 179 | 134.1 Ų | 134.1 | 78% | 0.778 | 81% | 0.807 | S | S | * | * | trans | -56.8 | 120.5 | 164.5 | -150.2 | 176.2 | -172.5 | -179.1 | 0 | 106.7 | P261 S265 | P261-K263 PolarHBondContact O-N 2.93Å; K263-S265 PolarHBondContact O-N 3.44Å | ||
| 264 | L | 33.1 | Very low | 30 | Very low | 170 Ų | 170 | 134 Ų | 134 | 89% | 0.89 | 81% | 0.805 | S | S | * | * | trans | -63.7 | 84.3 | 161.8 | -106.1 | 105.2 | 0 | 0 | 0 | 107.3 | V262 V266 | V262-L264 PolarHBondContact O-N 3.28Å; L264-V266 PolarHBondContact O-N 3.02Å | ||
| 265 | S | 23.6 | Very low | 29.5 | Very low | 91 Ų | 91 | 132.5 Ų | 132.5 | 64% | 0.636 | 80% | 0.798 | S | S | * | * | trans | -81.5 | 91.6 | 170.7 | 57.9 | 0 | 0 | 0 | 0 | 108 | K263 T267 | K263-S265 PolarHBondContact O-N 3.44Å; S265-T267 PolarHBondContact O-N 3.5Å | ||
| 266 | V | 31.5 | Very low | 29.8 | Very low | 133 Ų | 133 | 137.3 Ų | 137.3 | 81% | 0.806 | 81% | 0.806 | S | S | * | * | trans | -69.4 | 107.7 | 144.7 | 180 | 0 | 0 | 0 | 0 | 104.7 | L264 S268 | L264-V266 PolarHBondContact O-N 3.02Å; V266-S268 PolarHBondContact O-N 2.82Å | ||
| 267 | T | 25 | Very low | 29.6 | Very low | 121 Ų | 121 | 133.5 Ų | 133.5 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | trans | -59.7 | 107.1 | 172.3 | 41.8 | 0 | 0 | 0 | 0 | 108.8 | S265 | S265-T267 PolarHBondContact O-N 3.5Š| ||
| 268 | S | 28.1 | Very low | 29.3 | Very low | 116 Ų | 116 | 132.9 Ų | 132.9 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | trans | -71.9 | 118.7 | 155.3 | 65.1 | 0 | 0 | 0 | 0 | 108 | V266 | V266-S268 PolarHBondContact O-N 2.82Š| ||
| 269 | S | 27.6 | Very low | 28.5 | Very low | 113 Ų | 113 | 136 Ų | 136 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | trans | -120 | 105.6 | 159.2 | 56.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 270 | N | 28.6 | Very low | 28.2 | Very low | 169 Ų | 169 | 134 Ų | 134 | 90% | 0.904 | 80% | 0.798 | S | S | * | * | trans | -62.4 | 139.8 | 164.6 | -98.9 | -11.2 | 0 | 0 | 0 | 110.2 | ||||
| 271 | G | 32.1 | Very low | 28.1 | Very low | 64 Ų | 64 | 136.8 Ų | 136.8 | 66% | 0.66 | 80% | 0.8 | S | S | * | * | trans | 73.1 | 81.4 | 140.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 272 | N | 26.2 | Very low | 28 | Very low | 161 Ų | 161 | 137.5 Ų | 137.5 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | -179 | 124.4 | 120.6 | -90.7 | -14.5 | 0 | 0 | 0 | 108.6 | P274 | N272-P274 WeakPolarHBondContact O-CD 3.37Š| |||
| 273 | S | 36.4 | Very low | 28 | Very low | 125 Ų | 125 | 138.6 Ų | 138.6 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | trans | -55.3 | 139.3 | 170.2 | -46.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 274 | P | 31.4 | Very low | 28.1 | Very low | 111 Ų | 111 | 133.6 Ų | 133.6 | 72% | 0.721 | 81% | 0.807 | S | S | * | * | -144.4 | 143.9 | 118.4 | 29.5 | -10.6 | 0 | 0 | 0 | 115.4 | N272 | N272-P274 WeakPolarHBondContact O-CD 3.37Š| |||
| 275 | L | 26.4 | Very low | 27.8 | Very low | 151 Ų | 151 | 131.1 Ų | 131.1 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | trans | 39.8 | 125.5 | 140.9 | -75.5 | 140 | 0 | 0 | 0 | 121.8 | I277 | L275-I277 PolarHBondContact O-N 2.88Š| ||
| 276 | L | 37.2 | Very low | 27.9 | Very low | 171 Ų | 171 | 133.5 Ų | 133.5 | 90% | 0.895 | 81% | 0.814 | S | S | * | * | trans | -34.1 | 122.6 | 153.2 | -84.6 | 121 | 0 | 0 | 0 | 112.3 | ||||
| 277 | I | 25.8 | Very low | 27.7 | Very low | 159 Ų | 159 | 136.5 Ų | 136.5 | 82% | 0.815 | 82% | 0.819 | S | S | * | * | trans | -136 | 126.5 | 163.5 | -62.1 | -178.4 | 0 | 0 | 0 | 109.5 | L275 | L275-I277 PolarHBondContact O-N 2.88Š| ||
| 278 | N | 24.5 | Very low | 27.6 | Very low | 147 Ų | 147 | 135.3 Ų | 135.3 | 79% | 0.786 | 82% | 0.822 | S | S | * | * | trans | -51.6 | 144.7 | 176.6 | -68.6 | -21.6 | 0 | 0 | 0 | 113.4 | ||||
| 279 | T | 23.7 | Very low | 27.5 | Very low | 143 Ų | 143 | 134.4 Ų | 134.4 | 88% | 0.877 | 82% | 0.822 | S | S | * | * | trans | -80 | 113.2 | 165.8 | 47.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 280 | T | 26.1 | Very low | 27.2 | Very low | 125 Ų | 125 | 135 Ų | 135 | 77% | 0.767 | 82% | 0.824 | S | S | * | * | trans | -118.5 | 124.8 | 156.6 | 38.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 281 | E | 25.8 | Very low | 27 | Very low | 159 Ų | 159 | 134.2 Ų | 134.2 | 74% | 0.743 | 82% | 0.82 | S | S | * | * | trans | 34.2 | 123.4 | 154.1 | -60.9 | -177.7 | 176.2 | 0 | 0 | 120.6 | ||||
| 282 | C | 23.9 | Very low | 26.6 | Very low | 139 Ų | 139 | 137.5 Ų | 137.5 | 94% | 0.939 | 83% | 0.828 | S | S | * | * | trans | -102.8 | 104 | 161.1 | -79.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 283 | N | 26.8 | Very low | 26.6 | Very low | 164 Ų | 164 | 135.9 Ų | 135.9 | 88% | 0.877 | 83% | 0.826 | S | S | * | * | trans | -81.4 | 132.7 | 155.5 | -98 | -30.2 | 0 | 0 | 0 | 109.1 | ||||
| 284 | G | 26.2 | Very low | 26.1 | Very low | 73 Ų | 73 | 139.2 Ų | 139.2 | 75% | 0.753 | 83% | 0.827 | S | S | * | * | trans | -173.2 | 85.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 285 | S | 26.7 | Very low | 25.7 | Very low | 119 Ų | 119 | 142.7 Ų | 142.7 | 83% | 0.832 | 83% | 0.834 | S | S | * | * | trans | -66.3 | 130.3 | 160.9 | 49 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 286 | V | 26.4 | Very low | 25.7 | Very low | 141 Ų | 141 | 141.4 Ų | 141.4 | 86% | 0.855 | 84% | 0.835 | S | S | * | * | trans | -145.3 | 114.4 | 153.8 | -178.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 287 | E | 26 | Very low | 25.1 | Very low | 195 Ų | 195 | 142.7 Ų | 142.7 | 91% | 0.911 | 84% | 0.836 | S | S | * | * | trans | -67 | 134.1 | 164.4 | -68.2 | 175.1 | 143.4 | 0 | 0 | 110 | ||||
| 288 | A | 24.6 | Very low | 25 | Very low | 97 Ų | 97 | 144.1 Ų | 144.1 | 80% | 0.802 | 84% | 0.839 | S | S | * | * | trans | -143.1 | 105.8 | 159.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 289 | A | 24.4 | Very low | 25.1 | Very low | 97 Ų | 97 | 145.1 Ų | 145.1 | 80% | 0.802 | 84% | 0.844 | S | S | * | * | trans | -67.8 | 134 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 290 | C | 22.6 | Very low | 25.1 | Very low | 124 Ų | 124 | 144.8 Ų | 144.8 | 84% | 0.838 | 84% | 0.837 | S | S | * | * | trans | -140.4 | 114.8 | 158.1 | -156.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 291 | N | 23.2 | Very low | 25.2 | Very low | 153 Ų | 153 | 144.8 Ų | 144.8 | 82% | 0.818 | 84% | 0.837 | S | S | * | * | trans | -81.3 | 131.7 | 178 | -63.9 | -35.1 | 0 | 0 | 0 | 109.7 | ||||
| 292 | T | 24.1 | Very low | 25.2 | Very low | 134 Ų | 134 | 147.1 Ų | 147.1 | 82% | 0.822 | 84% | 0.839 | S | S | * | * | trans | -146.2 | 147.8 | 154.7 | 35.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 293 | P | 25.4 | Very low | 25.5 | Very low | 127 Ų | 127 | 147.4 Ų | 147.4 | 83% | 0.825 | 84% | 0.836 | S | S | * | * | trans | -84.6 | 153.9 | -158 | 0.3 | 19.4 | 0 | 0 | 0 | 113.4 | ||||
| 294 | E | 26 | Very low | 25.4 | Very low | 194 Ų | 194 | 145.4 Ų | 145.4 | 91% | 0.907 | 83% | 0.829 | S | S | * | * | trans | -60 | 131 | 175.9 | -64.8 | 173.2 | 142.8 | 0 | 0 | 112.8 | ||||
| 295 | E | 24 | Very low | 25.5 | Very low | 185 Ų | 185 | 147.5 Ų | 147.5 | 86% | 0.864 | 82% | 0.823 | S | S | * | * | trans | -131.1 | 149.9 | 150 | -83.9 | -164.9 | 165.5 | 0 | 0 | 109.2 | ||||
| 296 | P | 25.7 | Very low | 25.7 | Very low | 123 Ų | 123 | 147.7 Ų | 147.7 | 80% | 0.799 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 140.7 | -153.8 | 29 | -24.3 | 0 | 0 | 0 | 113.5 | E298 | P296-E298 PolarHBondContact O-N 3.45Š|
| 297 | E | 26.2 | Very low | 26.2 | Very low | 199 Ų | 199 | 144.9 Ų | 144.9 | 93% | 0.93 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 121.4 | 175.9 | -70.8 | -179.4 | 149.8 | 0 | 0 | 112.1 | ||
| 298 | E | 23.4 | Very low | 26.5 | Very low | 189 Ų | 189 | 142.5 Ų | 142.5 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 135.1 | 157 | -83.5 | -173.3 | 154.3 | 0 | 0 | 110.3 | P296 D300 | P296-E298 PolarHBondContact O-N 3.45Å; E298-D300 PolarHBondContact O-N 3.34Å |
| 299 | L | 25.4 | Very low | 27 | Very low | 168 Ų | 168 | 142.5 Ų | 142.5 | 88% | 0.88 | 79% | 0.787 | S | S | * | * | trans | -75.4 | 95.9 | -170.5 | -167.2 | 87.2 | 0 | 0 | 0 | 111.4 | ||||
| 300 | D | 23.9 | Very low | 27.4 | Very low | 135 Ų | 135 | 143.6 Ų | 143.6 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | trans | -92.7 | 106.3 | 175 | -142.7 | 13.4 | 0 | 0 | 0 | 110.8 | E298 R302 | E298-D300 PolarHBondContact O-N 3.34Å; D300-R302 PolarHBondContact O-N 2.93Å | ||
| 301 | T | 28.9 | Very low | 28.1 | Very low | 126 Ų | 126 | 142.8 Ų | 142.8 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | trans | -66 | 89.8 | 178.3 | 39.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 302 | R | 26.1 | Very low | 28.7 | Very low | 208 Ų | 208 | 145.9 Ų | 145.9 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | trans | -96.7 | 123.8 | 164 | -72.6 | -173 | -178.1 | -171.5 | 0.5 | 110.8 | D300 V304 | D300-R302 PolarHBondContact O-N 2.93Å; R302-V304 PolarHBondContact O-N 3.28Å | ||
| 303 | V | 29.8 | Very low | 29.5 | Very low | 145 Ų | 145 | 144.3 Ų | 144.3 | 88% | 0.879 | 75% | 0.752 | S | S | * | * | trans | -49.9 | 109.8 | 174 | 177.2 | 0 | 0 | 0 | 0 | 109.9 | N305 | V303-N305 PolarHBondContact O-N 3.17Š| ||
| 304 | V | 24.3 | Very low | 30.2 | Very low | 121 Ų | 121 | 146.1 Ų | 146.1 | 73% | 0.733 | 74% | 0.742 | S | S | * | * | trans | -71 | 110.4 | 173.3 | 176.4 | 0 | 0 | 0 | 0 | 107.8 | R302 | R302-V304 PolarHBondContact O-N 3.28Š| ||
| 305 | N | 29.2 | Very low | 30.9 | Very low | 118 Ų | 118 | 142.4 Ų | 142.4 | 63% | 0.631 | 73% | 0.728 | S | S | * | * | trans | -58.3 | 123 | 170.4 | -153.9 | -7.4 | 0 | 0 | 0 | 108.6 | V303 S307 | V303-N305 PolarHBondContact O-N 3.17Å; N305-S307 PolarHBondContact O-N 3.27Å | ||
| 306 | P | 30.1 | Very low | 32 | Very low | 123 Ų | 123 | 143 Ų | 143 | 80% | 0.799 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | 1.5 | -168.1 | 25.2 | -32.5 | 0 | 0 | 0 | 115 | ||
| 307 | S | 36.3 | Very low | 32.7 | Very low | 81 Ų | 81 | 139.8 Ų | 139.8 | 57% | 0.566 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | -24.7 | -172 | -56.3 | 0 | 0 | 0 | 0 | 115 | N305 | N305-S307 PolarHBondContact O-N 3.27Š|
| 308 | F | 33.5 | Very low | 33.6 | Very low | 145 Ų | 145 | 136 Ų | 136 | 64% | 0.636 | 68% | 0.675 | S | S | * | * | trans | -158.3 | 127.6 | 177.4 | -68.2 | -80.1 | 0 | 0 | 0 | 112.7 | ||||
| 309 | P | 33.8 | Very low | 35 | Very low | 98 Ų | 98 | 130.5 Ų | 130.5 | 64% | 0.636 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -82.4 | 132.9 | 172.4 | 31.3 | -28.8 | 0 | 0 | 0 | 111 | ||
| 310 | N | 34 | Very low | 36.1 | Very low | 120 Ų | 120 | 124.4 Ų | 124.4 | 64% | 0.642 | 62% | 0.62 | S | S | * | * | trans | 81 | 114.5 | 169.3 | -93 | -38.2 | 0 | 0 | 0 | 119.8 | R312 R313 | N310-R312 PolarHBondContact O-N 3.24Å; N310-R313 HydrophobicContact CB-CB 4.31Å; N310-R313 WeakPolarHBondContact O-CB 3.19Å; N310-R313 PolarHBondContact O-N 3.49Å | ||
| 311 | P | 36 | Very low | 37.3 | Very low | 107 Ų | 107 | 118.3 Ų | 118.3 | 70% | 0.695 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -67.6 | -28.2 | 173.5 | 25.3 | -31.4 | 0 | 0 | 0 | 113.8 | R313 R314 L315 | P311-R313 PolarHBondContact O-N 2.8Å; P311-R314 WeakPolarHBondContact O-CB 3.46Å; P311-R314 PolarHBondContact O-N 3.27Å; P311-L315 PolarHBondContact O-N 3.15Å |
| 312 | R | 37.6 | Very low | 38.3 | Very low | 217 Ų | 217 | 116 Ų | 116 | 82% | 0.819 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -63.5 | -26.8 | 174.4 | -73.7 | -178.5 | 177.2 | 165.9 | 0.6 | 113.2 | N310 R316 | N310-R312 PolarHBondContact O-N 3.24Å; R312-R316 PolarHBondContact O-N 3.41Å |
| 313 | R | 40.8 | Very low | 39.5 | Very low | 102 Ų | 102 | 113.3 Ų | 113.3 | 39% | 0.385 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -76.6 | -33.7 | 178.9 | -139.6 | 178.3 | -161.6 | 173.7 | 6.9 | 112 | N310 P311 L315 R316 L317 E344 | N310-R313 HydrophobicContact CB-CB 4.31Å; N310-R313 WeakPolarHBondContact O-CB 3.19Å; N310-R313 PolarHBondContact O-N 3.49Å; P311-R313 PolarHBondContact O-N 2.8Å; R313-L315 VanDerWaalsContact C-N 3.35Å; R313-R316 PolarHBondContact O-N 3.3Å; R313-L317 HydrophobicContact CG-CD1 4.31Å; R313-L317 WeakPolarHBondContact O-CD1 3.41Å; R313-L317 PolarHBondContact O-N 2.8Å; R313-E344 IonicContact NE-OE1 3.81Å; R313-E344 IonicContact NH2-OE1 3.6Å; R313-E344 PolarHBondContact NH2-OE1 2.8Å |
| 314 | R | 39.5 | Very low | 40.4 | Very low | 164 Ų | 164 | 106.8 Ų | 106.8 | 62% | 0.619 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.4 | -38.1 | 175.3 | -163.8 | 178.7 | -174.9 | -177.4 | 1.4 | 111.8 | E31 P311 R318 | E31-R314 IonicContact OE1-NH2 3.11Å; P311-R314 WeakPolarHBondContact O-CB 3.46Å; P311-R314 PolarHBondContact O-N 3.27Å; R314-R318 VanDerWaalsContact O-CB 3.26Å; R314-R318 WeakPolarHBondContact O-CB 3.47Å; R314-R318 PolarHBondContact O-N 3.3Å; R314-R318 VanDerWaalsContact O-N 3.17Å |
| 315 | L | 40.4 | Very low | 41.6 | Very low | 116 Ų | 116 | 103.3 Ų | 103.3 | 61% | 0.607 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -68.3 | -43.3 | 177.5 | -140.1 | 87.2 | 0 | 0 | 0 | 111.9 | P311 R313 R318 D319 | P311-L315 PolarHBondContact O-N 3.15Å; R313-L315 VanDerWaalsContact C-N 3.35Å; L315-R318 WeakPolarHBondContact O-CB 3.5Å; L315-R318 PolarHBondContact O-N 3.28Å; L315-D319 PolarHBondContact O-N 2.68Å |
| 316 | R | 47.8 | Very low | 42.6 | Very low | 197 Ų | 197 | 103 Ų | 103 | 74% | 0.743 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -70.3 | -38.1 | 179.3 | -74.7 | -169 | 177.2 | -175.7 | -1.1 | 114.2 | R312 R313 R318 D319 L320 | R312-R316 PolarHBondContact O-N 3.41Å; R313-R316 PolarHBondContact O-N 3.3Å; R316-R318 VanDerWaalsContact C-N 3.29Å; R316-D319 PolarHBondContact O-N 3.26Å; R316-L320 WeakPolarHBondContact O-CB 3.4Å; R316-L320 PolarHBondContact O-N 2.81Å |
| 317 | L | 40.6 | Very low | 43.5 | Very low | 56 Ų | 56 | 97.1 Ų | 97.1 | 29% | 0.293 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -68.2 | -31.9 | 173.6 | -98.8 | 112.7 | 0 | 0 | 0 | 112.1 | R313 L320 A321 | R313-L317 HydrophobicContact CG-CD1 4.31Å; R313-L317 WeakPolarHBondContact O-CD1 3.41Å; R313-L317 PolarHBondContact O-N 2.8Å; L317-L320 PolarHBondContact O-N 3.24Å; L317-A321 VanDerWaalsContact O-CB 3.27Å; L317-A321 WeakPolarHBondContact O-CB 3.4Å; L317-A321 PolarHBondContact O-N 3.42Å |
| 318 | R | 44.3 | Very low | 43.9 | Very low | 120 Ų | 120 | 98.4 Ų | 98.4 | 45% | 0.453 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -66.1 | -46.5 | 174.1 | -174.9 | 179.8 | 178.3 | 170 | 1.2 | 111.5 | R314 L315 R316 L320 A321 E322 | R314-R318 VanDerWaalsContact O-CB 3.26Å; R314-R318 WeakPolarHBondContact O-CB 3.47Å; R314-R318 PolarHBondContact O-N 3.3Å; R314-R318 VanDerWaalsContact O-N 3.17Å; L315-R318 WeakPolarHBondContact O-CB 3.5Å; L315-R318 PolarHBondContact O-N 3.28Å; R316-R318 VanDerWaalsContact C-N 3.29Å; R318-L320 VanDerWaalsContact C-N 3.28Å; R318-L320 PolarHBondContact O-N 3.46Å; R318-A321 PolarHBondContact O-N 3.41Å; R318-E322 PolarHBondContact O-N 3.26Å |
| 319 | D | 52 | Low | 44.9 | Very low | 73 Ų | 73 | 100.1 Ų | 100.1 | 39% | 0.39 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.2 | -37.7 | 172.9 | -73.2 | -13.4 | 0 | 0 | 0 | 111.8 | L315 R316 R323 | L315-D319 PolarHBondContact O-N 2.68Å; R316-D319 PolarHBondContact O-N 3.26Å; D319-R323 WeakPolarHBondContact O-CB 3.46Å; D319-R323 WeakPolarHBondContact O-CD 3.46Å; D319-R323 WeakPolarHBondContact O-CG 3.3Å; D319-R323 PolarHBondContact O-N 2.94Å |
| 320 | L | 48.8 | Very low | 46 | Very low | 41 Ų | 41 | 100 Ų | 100 | 22% | 0.215 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -69 | -41.6 | 177.5 | -156.2 | 97.2 | 0 | 0 | 0 | 111.8 | R316 L317 R318 R323 V324 L337 A341 | R316-L320 WeakPolarHBondContact O-CB 3.4Å; R316-L320 PolarHBondContact O-N 2.81Å; L317-L320 PolarHBondContact O-N 3.24Å; R318-L320 VanDerWaalsContact C-N 3.28Å; R318-L320 PolarHBondContact O-N 3.46Å; L320-R323 PolarHBondContact O-N 3.21Å; L320-V324 WeakPolarHBondContact O-CB 3.28Å; L320-V324 WeakPolarHBondContact O-CG2 3.44Å; L320-V324 PolarHBondContact O-N 3.25Å; L320-L337 HydrophobicContact CD1-CD2 3.74Å; L320-L337 HydrophobicContact CG-CD2 4.35Å; L320-A341 HydrophobicContact CD2-CB 4.43Å |
| 321 | A | 49 | Very low | 47 | Very low | 6 Ų | 6 | 100.3 Ų | 100.3 | 5% | 0.05 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -68.9 | -41 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | L317 R318 V324 I325 | L317-A321 VanDerWaalsContact O-CB 3.27Å; L317-A321 WeakPolarHBondContact O-CB 3.4Å; L317-A321 PolarHBondContact O-N 3.42Å; R318-A321 PolarHBondContact O-N 3.41Å; A321-V324 PolarHBondContact O-N 3.2Å; A321-I325 VanDerWaalsContact O-CD1 3.25Å; A321-I325 WeakPolarHBondContact O-CD1 3.25Å; A321-I325 WeakPolarHBondContact O-CG1 3.39Å |
| 322 | E | 50.2 | Low | 48 | Very low | 79 Ų | 79 | 103.5 Ų | 103.5 | 37% | 0.369 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.5 | -41.3 | 173.4 | -79.7 | 176.1 | 174.3 | 0 | 0 | 111.2 | R32 R318 V324 I325 D326 | R32-E322 IonicContact CZ-OE1 2.99Å; R32-E322 IonicContact NH2-OE1 3.52Å; R32-E322 PolarHBondContact NH2-OE1 3.32Å; R318-E322 PolarHBondContact O-N 3.26Å; E322-V324 PolarHBondContact O-N 3.42Å; E322-I325 PolarHBondContact O-N 2.6Å; E322-D326 PolarHBondContact O-N 2.72Å |
| 323 | R | 51.8 | Low | 49.1 | Very low | 150 Ų | 150 | 97.4 Ų | 97.4 | 57% | 0.566 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -68.8 | -30 | 175.4 | -73.3 | 174.5 | -174.5 | 179.5 | 2.8 | 114.8 | D319 L320 I325 A327 L337 | D319-R323 WeakPolarHBondContact O-CB 3.46Å; D319-R323 WeakPolarHBondContact O-CD 3.46Å; D319-R323 WeakPolarHBondContact O-CG 3.3Å; D319-R323 PolarHBondContact O-N 2.94Å; L320-R323 PolarHBondContact O-N 3.21Å; R323-I325 PolarHBondContact O-N 3.14Å; R323-A327 WeakPolarHBondContact O-CB 3.26Å; R323-A327 PolarHBondContact O-N 3.04Å; R323-L337 HydrophobicContact CB-CD1 3.99Å |
| 324 | V | 49.1 | Very low | 50 | Low | 9 Ų | 9 | 94 Ų | 94 | 6% | 0.055 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -64.5 | -29 | 176 | 157.1 | 0 | 0 | 0 | 0 | 111.8 | L21 L320 A321 E322 A327 Q328 L334 L337 | L21-V324 HydrophobicContact CB-CG1 4.48Å; L21-V324 HydrophobicContact CD1-CG1 4.18Å; L21-V324 HydrophobicContact CD1-CG2 4.08Å; L320-V324 WeakPolarHBondContact O-CB 3.28Å; L320-V324 WeakPolarHBondContact O-CG2 3.44Å; L320-V324 PolarHBondContact O-N 3.25Å; A321-V324 PolarHBondContact O-N 3.2Å; E322-V324 PolarHBondContact O-N 3.42Å; V324-A327 CarbonylContact O-C 3.52Å; V324-Q328 PolarHBondContact O-N 3.23Å; V324-L334 HydrophobicContact CB-CD1 4.39Å; V324-L334 HydrophobicContact CG1-CD1 3.71Å; V324-L334 HydrophobicContact CG2-CD1 4.16Å; V324-L337 HydrophobicContact CG2-CB 4.31Å; V324-L337 HydrophobicContact CG2-CD1 3.84Å |
| 325 | I | 48.5 | Very low | 51.2 | Low | 48 Ų | 48 | 88.2 Ų | 88.2 | 25% | 0.246 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -79.1 | -44.9 | -178.8 | -62.9 | 153.8 | 0 | 0 | 0 | 110.8 | E25 A321 E322 R323 A327 Q328 | E25-I325 HydrophobicContact CB-CD1 4.47Å; E25-I325 HydrophobicContact CG-CD1 3.66Å; E25-I325 WeakPolarHBondContact OE1-CD1 3.24Å; A321-I325 VanDerWaalsContact O-CD1 3.25Å; A321-I325 WeakPolarHBondContact O-CD1 3.25Å; A321-I325 WeakPolarHBondContact O-CG1 3.39Å; E322-I325 PolarHBondContact O-N 2.6Å; R323-I325 PolarHBondContact O-N 3.14Å; I325-A327 PolarHBondContact O-N 2.65Å; I325-Q328 VanDerWaalsContact O-CB 3.25Å; I325-Q328 WeakPolarHBondContact O-CB 3.46Å; I325-Q328 PolarHBondContact O-N 2.89Å; I325-Q328 VanDerWaalsContact O-N 3.09Å |
| 326 | D | 49.7 | Very low | 52.5 | Low | 111 Ų | 111 | 89.9 Ų | 89.9 | 59% | 0.594 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -63.2 | -35 | 171.5 | -73.5 | -13.2 | 0 | 0 | 0 | 110.7 | E322 Q328 | E322-D326 PolarHBondContact O-N 2.72Å; D326-Q328 PolarHBondContact O-N 3Å |
| 327 | A | 48.7 | Very low | 53.1 | Low | 0 Ų | 0 | 81.2 Ų | 81.2 | 0% | 0 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | -74.6 | -3.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | R323 V324 I325 E329 N330 E333 L337 | R323-A327 WeakPolarHBondContact O-CB 3.26Å; R323-A327 PolarHBondContact O-N 3.04Å; V324-A327 CarbonylContact O-C 3.52Å; I325-A327 PolarHBondContact O-N 2.65Å; A327-E329 PolarHBondContact O-N 2.95Å; A327-N330 CarbonylContact O-C 3.54Å; A327-N330 WeakPolarHBondContact O-CA 3.21Å; A327-N330 PolarHBondContact O-N 3.28Å; A327-E333 HydrophobicContact CB-CB 3.76Å; A327-E333 HydrophobicContact CB-CG 3.73Å; A327-L337 HydrophobicContact CB-CD1 4.5Å |
| 328 | Q | 46.2 | Very low | 54.2 | Low | 107 Ų | 107 | 79 Ų | 79 | 50% | 0.5 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -70.4 | -17.2 | 179.2 | -155.3 | 158.7 | -5.5 | 0 | 0 | 111.9 | V324 I325 D326 | V324-Q328 PolarHBondContact O-N 3.23Å; I325-Q328 VanDerWaalsContact O-CB 3.25Å; I325-Q328 WeakPolarHBondContact O-CB 3.46Å; I325-Q328 PolarHBondContact O-N 2.89Å; I325-Q328 VanDerWaalsContact O-N 3.09Å; D326-Q328 PolarHBondContact O-N 3Å |
| 329 | E | 53.8 | Low | 55.3 | Low | 182 Ų | 182 | 76.8 Ų | 76.8 | 85% | 0.85 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -81.5 | -19 | 166.8 | -64.7 | -169.7 | 159.2 | 0 | 0 | 112.8 | A327 | A327-E329 PolarHBondContact O-N 2.95Š|
| 330 | N | 56.3 | Low | 56 | Low | 95 Ų | 95 | 78.8 Ų | 78.8 | 51% | 0.508 | 38% | 0.375 | S | S | . | . | trans | -122.8 | 88.2 | -177.6 | -75.9 | -30.4 | 0 | 0 | 0 | 111.9 | A327 Q332 E333 L334 | A327-N330 CarbonylContact O-C 3.54Å; A327-N330 WeakPolarHBondContact O-CA 3.21Å; A327-N330 PolarHBondContact O-N 3.28Å; N330-Q332 PolarHBondContact O-N 3.02Å; N330-E333 HydrophobicContact CB-CB 4.16Å; N330-E333 PolarHBondContact O-N 3.46Å; N330-L334 PolarHBondContact O-N 2.94Å | ||
| 331 | E | 55.9 | Low | 56.8 | Low | 127 Ų | 127 | 78.1 Ų | 78.1 | 59% | 0.593 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -50.7 | -28.6 | -180 | -159.2 | -177.2 | 175.3 | 0 | 0 | 113.4 | R14 N335 | R14-E331 IonicContact NH2-OE1 3Å; E331-N335 WeakPolarHBondContact O-CB 3.44Å; E331-N335 PolarHBondContact O-N 3.48Å; E331-N335 VanDerWaalsContact O-N 3.08Å; E331-N335 PolarHBondContact O-ND2 3.38Å |
| 332 | Q | 56.5 | Low | 57.5 | Low | 173 Ų | 173 | 79.3 Ų | 79.3 | 81% | 0.808 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -69.4 | -37.2 | 177.3 | -66 | -174.9 | -13.1 | 0 | 0 | 113.8 | N330 N335 K336 | N330-Q332 PolarHBondContact O-N 3.02Å; Q332-N335 PolarHBondContact O-N 3.33Å; Q332-K336 PolarHBondContact O-N 2.94Å; Q332-K336 VanDerWaalsContact O-N 3.08Å |
| 333 | E | 60.4 | Low | 58.2 | Low | 89 Ų | 89 | 80.6 Ų | 80.6 | 42% | 0.416 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -77 | -39 | -179.4 | -172.3 | 166.7 | -160.1 | 0 | 0 | 110.9 | A327 N330 N335 K336 L337 | A327-E333 HydrophobicContact CB-CB 3.76Å; A327-E333 HydrophobicContact CB-CG 3.73Å; N330-E333 HydrophobicContact CB-CB 4.16Å; N330-E333 PolarHBondContact O-N 3.46Å; E333-N335 VanDerWaalsContact C-N 3.32Å; E333-N335 PolarHBondContact O-N 2.94Å; E333-K336 WeakPolarHBondContact O-CB 3.25Å; E333-K336 PolarHBondContact O-N 3.47Å; E333-K336 VanDerWaalsContact O-N 3.13Å; E333-L337 WeakPolarHBondContact O-CG 3.4Å; E333-L337 PolarHBondContact O-N 3.07Å |
| 334 | L | 60.8 | Low | 58.7 | Low | 30 Ų | 30 | 78.2 Ų | 78.2 | 16% | 0.157 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -56.3 | -46.5 | 168.5 | -179 | 65 | 0 | 0 | 0 | 111.5 | V324 N330 K336 L337 L338 | V324-L334 HydrophobicContact CB-CD1 4.39Å; V324-L334 HydrophobicContact CG1-CD1 3.71Å; V324-L334 HydrophobicContact CG2-CD1 4.16Å; N330-L334 PolarHBondContact O-N 2.94Å; L334-K336 VanDerWaalsContact C-N 3.3Å; L334-K336 PolarHBondContact O-N 3.07Å; L334-L337 PolarHBondContact O-N 3Å; L334-L338 WeakPolarHBondContact O-CB 3.48Å; L334-L338 PolarHBondContact O-N 3.12Å |
| 335 | N | 64.9 | Low | 59.3 | Low | 44 Ų | 44 | 81 Ų | 81 | 24% | 0.235 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -63.5 | -34.5 | 177.6 | -76.9 | -44.2 | 0 | 0 | 0 | 112.3 | R14 E331 Q332 E333 N339 | R14-N335 PolarHBondContact NH1-OD1 3.25Å; E331-N335 WeakPolarHBondContact O-CB 3.44Å; E331-N335 PolarHBondContact O-N 3.48Å; E331-N335 VanDerWaalsContact O-N 3.08Å; E331-N335 PolarHBondContact O-ND2 3.38Å; Q332-N335 PolarHBondContact O-N 3.33Å; E333-N335 VanDerWaalsContact C-N 3.32Å; E333-N335 PolarHBondContact O-N 2.94Å; N335-N339 WeakPolarHBondContact O-CB 3.44Å; N335-N339 PolarHBondContact O-N 3.45Å; N335-N339 PolarHBondContact O-ND2 3.37Å |
| 336 | K | 66.3 | Low | 59.8 | Low | 151 Ų | 151 | 83.7 Ų | 83.7 | 66% | 0.657 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -68 | -47.3 | 176.8 | -170.9 | -178.7 | 177.2 | -173.6 | 0 | 111.6 | Q332 E333 L334 N339 E340 | Q332-K336 PolarHBondContact O-N 2.94Å; Q332-K336 VanDerWaalsContact O-N 3.08Å; E333-K336 WeakPolarHBondContact O-CB 3.25Å; E333-K336 PolarHBondContact O-N 3.47Å; E333-K336 VanDerWaalsContact O-N 3.13Å; L334-K336 VanDerWaalsContact C-N 3.3Å; L334-K336 PolarHBondContact O-N 3.07Å; K336-N339 PolarHBondContact O-N 3.46Å; K336-E340 PolarHBondContact O-N 3.29Å |
| 337 | L | 60.7 | Low | 60.1 | Low | 15 Ų | 15 | 82.4 Ų | 82.4 | 8% | 0.079 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -65.7 | -39.6 | 177.8 | -66.6 | 170.8 | 0 | 0 | 0 | 111.8 | L320 R323 V324 A327 E333 L334 E340 A341 | L320-L337 HydrophobicContact CD1-CD2 3.74Å; L320-L337 HydrophobicContact CG-CD2 4.35Å; R323-L337 HydrophobicContact CB-CD1 3.99Å; V324-L337 HydrophobicContact CG2-CB 4.31Å; V324-L337 HydrophobicContact CG2-CD1 3.84Å; A327-L337 HydrophobicContact CB-CD1 4.5Å; E333-L337 WeakPolarHBondContact O-CG 3.4Å; E333-L337 PolarHBondContact O-N 3.07Å; L334-L337 PolarHBondContact O-N 3Å; L337-E340 PolarHBondContact O-N 3.23Å; L337-A341 WeakPolarHBondContact O-CB 3.42Å; L337-A341 PolarHBondContact O-N 2.96Å |
| 338 | L | 64.9 | Low | 60.5 | Low | 8 Ų | 8 | 84.4 Ų | 84.4 | 4% | 0.042 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -61.2 | -44.4 | 174.3 | -167.1 | 89.9 | 0 | 0 | 0 | 111.3 | R14 L17 L334 A341 L342 | R14-L338 HydrophobicContact CB-CD2 3.79Å; R14-L338 HydrophobicContact CG-CD1 4.48Å; R14-L338 HydrophobicContact CG-CD2 3.48Å; R14-L338 VanDerWaalsContact CG-CD2 3.48Å; L17-L338 HydrophobicContact CB-CD1 3.9Å; L17-L338 HydrophobicContact CD2-CD1 3.35Å; L17-L338 HydrophobicContact CD2-CG 3.98Å; L17-L338 HydrophobicContact CG-CD1 3.65Å; L334-L338 WeakPolarHBondContact O-CB 3.48Å; L334-L338 PolarHBondContact O-N 3.12Å; L338-A341 PolarHBondContact O-N 2.74Å; L338-L342 HydrophobicContact CG-CD1 4.47Å; L338-L342 VanDerWaalsContact O-CG 3.27Å; L338-L342 WeakPolarHBondContact O-CG 3.44Å; L338-L342 PolarHBondContact O-N 3.1Å |
| 339 | N | 66.8 | Low | 60.8 | Low | 74 Ų | 74 | 81.8 Ų | 81.8 | 40% | 0.396 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64.8 | -40.3 | 177.3 | -77.3 | -22.4 | 0 | 0 | 0 | 112 | N335 K336 L342 L343 | N335-N339 WeakPolarHBondContact O-CB 3.44Å; N335-N339 PolarHBondContact O-N 3.45Å; N335-N339 PolarHBondContact O-ND2 3.37Å; K336-N339 PolarHBondContact O-N 3.46Å; N339-L342 PolarHBondContact O-N 3.47Å; N339-L343 VanDerWaalsContact O-CG 3.28Å; N339-L343 WeakPolarHBondContact O-CG 3.45Å; N339-L343 PolarHBondContact O-N 2.99Å |
| 340 | E | 67.7 | Low | 60.8 | Low | 115 Ų | 115 | 77.2 Ų | 77.2 | 54% | 0.537 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.5 | -43 | 176.2 | -167.8 | 170.1 | -178.4 | 0 | 0 | 111.7 | K336 L337 L342 L343 E344 | K336-E340 PolarHBondContact O-N 3.29Å; L337-E340 PolarHBondContact O-N 3.23Å; E340-L342 VanDerWaalsContact C-N 3.35Å; E340-L342 PolarHBondContact O-N 2.89Å; E340-L343 PolarHBondContact O-N 3.47Å; E340-E344 PolarHBondContact O-N 2.81Å |
| 341 | A | 64.1 | Low | 60.4 | Low | 27 Ų | 27 | 79.9 Ų | 79.9 | 22% | 0.223 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -64.8 | -35.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L17 L320 L337 L338 R345 | L17-A341 HydrophobicContact CD2-CB 4.05Å; L320-A341 HydrophobicContact CD2-CB 4.43Å; L337-A341 WeakPolarHBondContact O-CB 3.42Å; L337-A341 PolarHBondContact O-N 2.96Å; L338-A341 PolarHBondContact O-N 2.74Å; A341-R345 PolarHBondContact O-N 2.94Å |
| 342 | L | 63.8 | Low | 60.3 | Low | 31 Ų | 31 | 79.2 Ų | 79.2 | 16% | 0.162 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -67.3 | -43.2 | 174.1 | -72.7 | 171.8 | 0 | 0 | 0 | 111.5 | F10 L338 N339 E340 R345 E346 | F10-L342 HydrophobicContact CD2-CD1 4.21Å; F10-L342 HydrophobicContact CE2-CD1 3.53Å; F10-L342 HydrophobicContact CZ-CD1 4.18Å; L338-L342 HydrophobicContact CG-CD1 4.47Å; L338-L342 VanDerWaalsContact O-CG 3.27Å; L338-L342 WeakPolarHBondContact O-CG 3.44Å; L338-L342 PolarHBondContact O-N 3.1Å; N339-L342 PolarHBondContact O-N 3.47Å; E340-L342 VanDerWaalsContact C-N 3.35Å; E340-L342 PolarHBondContact O-N 2.89Å; L342-R345 WeakPolarHBondContact O-CB 3.25Å; L342-R345 PolarHBondContact O-N 2.94Å; L342-E346 PolarHBondContact O-N 2.81Å; L342-E346 VanDerWaalsContact O-N 3.12Å |
| 343 | L | 64.4 | Low | 60 | Low | 107 Ų | 107 | 73.6 Ų | 73.6 | 56% | 0.56 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -63.5 | -43.9 | 177.8 | -73.5 | 167.7 | 0 | 0 | 0 | 112 | N339 E340 R345 E346 T347 | N339-L343 VanDerWaalsContact O-CG 3.28Å; N339-L343 WeakPolarHBondContact O-CG 3.45Å; N339-L343 PolarHBondContact O-N 2.99Å; E340-L343 PolarHBondContact O-N 3.47Å; L343-R345 VanDerWaalsContact C-N 3.27Å; L343-R345 PolarHBondContact O-N 2.91Å; L343-E346 PolarHBondContact O-N 2.91Å; L343-T347 WeakPolarHBondContact O-CG2 3.44Å; L343-T347 PolarHBondContact O-N 2.66Å |
| 344 | E | 62.8 | Low | 59.8 | Low | 99 Ų | 99 | 78.3 Ų | 78.3 | 46% | 0.463 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.9 | -38.4 | 176.9 | -159.4 | -168.4 | 150.7 | 0 | 0 | 111 | R313 E340 E346 T347 V348 | R313-E344 IonicContact NE-OE1 3.81Å; R313-E344 IonicContact NH2-OE1 3.6Å; R313-E344 PolarHBondContact NH2-OE1 2.8Å; E340-E344 PolarHBondContact O-N 2.81Å; E344-E346 VanDerWaalsContact C-N 3.35Å; E344-E346 PolarHBondContact O-N 2.96Å; E344-T347 PolarHBondContact O-N 2.88Å; E344-T347 PolarHBondContact O-OG1 3.27Å; E344-V348 VanDerWaalsContact O-CG2 3.28Å; E344-V348 WeakPolarHBondContact O-CG2 3.45Å; E344-V348 PolarHBondContact O-N 2.85Å |
| 345 | R | 61.2 | Low | 59.9 | Low | 67 Ų | 67 | 82 Ų | 82 | 25% | 0.253 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64.2 | -38 | 177.2 | -162.7 | 175.6 | -176.7 | -178.2 | -1.5 | 112.5 | A341 L342 L343 V348 Q349 W604 E607 | A341-R345 PolarHBondContact O-N 2.94Å; L342-R345 WeakPolarHBondContact O-CB 3.25Å; L342-R345 PolarHBondContact O-N 2.94Å; L343-R345 VanDerWaalsContact C-N 3.27Å; L343-R345 PolarHBondContact O-N 2.91Å; R345-V348 PolarHBondContact O-N 2.83Å; R345-Q349 WeakPolarHBondContact O-CB 3.44Å; R345-Q349 PolarHBondContact O-N 3.12Å; R345-Q349 VanDerWaalsContact O-N 3.08Å; R345-W604 PolarHBondContact NH2-O 2.97Å; R345-E607 VanDerWaalsContact NH2-CG 3.32Å |
| 346 | E | 60.7 | Low | 60.3 | Low | 105 Ų | 105 | 81.9 Ų | 81.9 | 49% | 0.491 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62 | -41.8 | 173.9 | -72 | -172.3 | 160.7 | 0 | 0 | 111.8 | L342 L343 E344 Q349 A350 W604 | L342-E346 PolarHBondContact O-N 2.81Å; L342-E346 VanDerWaalsContact O-N 3.12Å; L343-E346 PolarHBondContact O-N 2.91Å; E344-E346 VanDerWaalsContact C-N 3.35Å; E344-E346 PolarHBondContact O-N 2.96Å; E346-Q349 PolarHBondContact O-N 3.34Å; E346-A350 PolarHBondContact O-N 2.84Å; E346-W604 HydrophobicContact CG-CH2 4.47Å; E346-W604 HydrophobicContact CG-CZ2 4.15Å |
| 347 | T | 56 | Low | 60.8 | Low | 85 Ų | 85 | 78.3 Ų | 78.3 | 52% | 0.521 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -66.7 | -41.6 | 177.8 | 67.1 | 0 | 0 | 0 | 0 | 113 | L343 E344 Q349 A350 L351 | L343-T347 WeakPolarHBondContact O-CG2 3.44Å; L343-T347 PolarHBondContact O-N 2.66Å; E344-T347 PolarHBondContact O-N 2.88Å; E344-T347 PolarHBondContact O-OG1 3.27Å; T347-Q349 VanDerWaalsContact C-N 3.26Å; T347-Q349 PolarHBondContact O-N 3.01Å; T347-A350 WeakPolarHBondContact O-CB 3.2Å; T347-A350 PolarHBondContact O-N 3.3Å; T347-L351 PolarHBondContact O-N 2.84Å |
| 348 | V | 56.4 | Low | 61.5 | Low | 42 Ų | 42 | 88.4 Ų | 88.4 | 26% | 0.255 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -67.7 | -29.6 | 178.3 | 174.9 | 0 | 0 | 0 | 0 | 111.4 | E344 R345 L351 K352 | E344-V348 VanDerWaalsContact O-CG2 3.28Å; E344-V348 WeakPolarHBondContact O-CG2 3.45Å; E344-V348 PolarHBondContact O-N 2.85Å; R345-V348 PolarHBondContact O-N 2.83Å; V348-L351 VanDerWaalsContact O-CB 3.28Å; V348-L351 WeakPolarHBondContact O-CB 3.16Å; V348-L351 PolarHBondContact O-N 3.32Å; V348-K352 PolarHBondContact O-N 2.85Å; V348-K352 VanDerWaalsContact O-N 3.15Å |
| 349 | Q | 52.7 | Low | 62 | Low | 51 Ų | 51 | 94.6 Ų | 94.6 | 24% | 0.238 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -85.4 | -25.5 | -179.9 | -157.6 | 155.3 | -8.2 | 0 | 0 | 113 | R345 E346 T347 L351 K352 G353 | R345-Q349 WeakPolarHBondContact O-CB 3.44Å; R345-Q349 PolarHBondContact O-N 3.12Å; R345-Q349 VanDerWaalsContact O-N 3.08Å; E346-Q349 PolarHBondContact O-N 3.34Å; T347-Q349 VanDerWaalsContact C-N 3.26Å; T347-Q349 PolarHBondContact O-N 3.01Å; Q349-L351 PolarHBondContact O-N 3.34Å; Q349-K352 CarbonylContact O-C 3.56Å; Q349-K352 PolarHBondContact O-N 2.87Å; Q349-K352 VanDerWaalsContact O-N 3.12Å; Q349-G353 PolarHBondContact O-N 3.42Å |
| 350 | A | 53 | Low | 62.6 | Low | 87 Ų | 87 | 93 Ų | 93 | 72% | 0.719 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -56.7 | -34.9 | 162.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | E346 T347 | E346-A350 PolarHBondContact O-N 2.84Å; T347-A350 WeakPolarHBondContact O-CB 3.2Å; T347-A350 PolarHBondContact O-N 3.3Å |
| 351 | L | 48.4 | Very low | 63.3 | Low | 150 Ų | 150 | 88.2 Ų | 88.2 | 79% | 0.785 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -73 | -33.8 | 172.4 | -88.3 | 147 | 0 | 0 | 0 | 113.9 | T347 V348 Q349 G353 | T347-L351 PolarHBondContact O-N 2.84Å; V348-L351 VanDerWaalsContact O-CB 3.28Å; V348-L351 WeakPolarHBondContact O-CB 3.16Å; V348-L351 PolarHBondContact O-N 3.32Å; Q349-L351 PolarHBondContact O-N 3.34Å; L351-G353 VanDerWaalsContact C-N 3.35Å; L351-G353 PolarHBondContact O-N 3.45Å |
| 352 | K | 52.9 | Low | 64.1 | Low | 114 Ų | 114 | 92.9 Ų | 92.9 | 50% | 0.496 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 12.9 | 178.4 | -78 | -171.3 | 177.3 | -175.8 | 0 | 115.2 | V348 Q349 K354 H355 | V348-K352 PolarHBondContact O-N 2.85Å; V348-K352 VanDerWaalsContact O-N 3.15Å; Q349-K352 CarbonylContact O-C 3.56Å; Q349-K352 PolarHBondContact O-N 2.87Å; Q349-K352 VanDerWaalsContact O-N 3.12Å; K352-K354 PolarHBondContact O-N 2.81Å; K352-H355 PolarHBondContact O-CD2 2.78Å |
| 353 | G | 52.3 | Low | 65.1 | Low | 54 Ų | 54 | 91.7 Ų | 91.7 | 56% | 0.557 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | 15.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | Q349 L351 | Q349-G353 PolarHBondContact O-N 3.42Å; L351-G353 VanDerWaalsContact C-N 3.35Å; L351-G353 PolarHBondContact O-N 3.45Å |
| 354 | K | 55.2 | Low | 65.9 | Low | 189 Ų | 189 | 90.9 Ų | 90.9 | 82% | 0.822 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -5.7 | 177.6 | -66.3 | -177.5 | 179.6 | 178.7 | 0 | 114.4 | K352 | K352-K354 PolarHBondContact O-N 2.81Š|
| 355 | H | 62.1 | Low | 66.7 | Low | 106 Ų | 106 | 89.2 Ų | 89.2 | 49% | 0.491 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -84.9 | -6.9 | -177.4 | -69.9 | -70.3 | 0 | 0 | 0 | 115.5 | K352 F363 V364 | K352-H355 PolarHBondContact O-CD2 2.78Å; H355-F363 WeakPolarHBondContact O-CA 3.29Å; H355-V364 PolarHBondContact O-N 3.05Å |
| 356 | T | 73.4 | Confident | 67.7 | Low | 43 Ų | 43 | 90.3 Ų | 90.3 | 26% | 0.264 | 47% | 0.474 | S | S | . | . | B | Isolated β-bridge | trans | -125.1 | 141.7 | 176.5 | 52.7 | 0 | 0 | 0 | 0 | 111.5 | R358 R362 F363 | T356-R358 PolarHBondContact O-N 3.48Å; T356-R362 WeakPolarHBondContact CA-O 3.23Å; T356-F363 HydrophobicContact CG2-CD1 3.45Å; T356-F363 VanDerWaalsContact CG2-CD1 3.45Å; T356-F363 HydrophobicContact CG2-CE1 3.61Å; T356-F363 HydrophobicContact CG2-CG 4.41Å |
| 357 | N | 77.9 | Confident | 68.8 | Low | 75 Ų | 75 | 90.5 Ų | 90.5 | 40% | 0.401 | 48% | 0.478 | S | S | . | . | trans | -67.1 | 130 | 175.1 | -76.5 | -43.9 | 0 | 0 | 0 | 110.4 | L359 S360 L361 R362 | N357-L359 VanDerWaalsContact C-N 3.27Å; N357-L359 PolarHBondContact O-N 3.26Å; N357-S360 VanDerWaalsContact CB-OG 3.25Å; N357-S360 WeakPolarHBondContact CB-OG 3.36Å; N357-L361 WeakPolarHBondContact O-CA 3.17Å; N357-L361 PolarHBondContact O-N 2.88Å; N357-R362 PolarHBondContact N-O 3.45Å | ||
| 358 | R | 74.7 | Confident | 70.1 | Confident | 228 Ų | 228 | 87.5 Ų | 87.5 | 86% | 0.86 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -35.4 | -174.9 | -71.6 | -173.9 | 173.8 | -169.9 | -1.4 | 114 | T356 R592 | T356-R358 PolarHBondContact O-N 3.48Å; R358-R592 PolarHBondContact O-NH2 3.27Å |
| 359 | L | 76.1 | Confident | 71.4 | Confident | 137 Ų | 137 | 85.8 Ų | 85.8 | 72% | 0.717 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -54.5 | -175.4 | -149.5 | 95.7 | 0 | 0 | 0 | 112.1 | N357 H528 | N357-L359 VanDerWaalsContact C-N 3.27Å; N357-L359 PolarHBondContact O-N 3.26Å; L359-H528 PolarHBondContact O-NE2 2.94Å |
| 360 | S | 79.5 | Confident | 72.8 | Confident | 42 Ų | 42 | 87.2 Ų | 87.2 | 29% | 0.294 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -9.7 | -175.3 | 63.7 | 0 | 0 | 0 | 0 | 113.9 | N357 R362 H528 | N357-S360 VanDerWaalsContact CB-OG 3.25Å; N357-S360 WeakPolarHBondContact CB-OG 3.36Å; S360-R362 PolarHBondContact O-N 3.2Å; S360-H528 PolarHBondContact O-CE1 3.27Å; S360-H528 VanDerWaalsContact O-CE1 3.32Å |
| 361 | L | 81.4 | Confident | 74.2 | Confident | 13 Ų | 13 | 88.8 Ų | 88.8 | 7% | 0.068 | 45% | 0.447 | C | S | . | . | trans | 54.6 | 4 | -172.2 | -64.9 | 175.8 | 0 | 0 | 0 | 114.8 | N357 R592 E595 K596 R599 | N357-L361 WeakPolarHBondContact O-CA 3.17Å; N357-L361 PolarHBondContact O-N 2.88Å; L361-R592 HydrophobicContact CD1-CG 3.84Å; L361-E595 HydrophobicContact CD1-CB 4.49Å; L361-E595 HydrophobicContact CD1-CG 4.42Å; L361-K596 HydrophobicContact CD1-CB 4.38Å; L361-R599 WeakPolarHBondContact O-CD 3.34Å; L361-R599 PolarHBondContact O-NE 3.39Å; L361-R599 VanDerWaalsContact O-NE 3.11Å; L361-R599 PolarHBondContact O-NH1 2.92Å; L361-R599 VanDerWaalsContact O-NH1 3.11Å | ||
| 362 | R | 82.2 | Confident | 75.7 | Confident | 126 Ų | 126 | 83 Ų | 83 | 48% | 0.475 | 42% | 0.415 | S | S | . | . | trans | -64.9 | 142 | 179.4 | -154.3 | 177.1 | 177.9 | 163.2 | -0.8 | 109.8 | T356 N357 S360 E369 | T356-R362 WeakPolarHBondContact CA-O 3.23Å; N357-R362 PolarHBondContact N-O 3.45Å; S360-R362 PolarHBondContact O-N 3.2Å; R362-E369 HydrophobicContact CG-CG 3.79Å; R362-E369 VanDerWaalsContact CG-OE2 3.3Å; R362-E369 WeakPolarHBondContact CG-OE2 3.46Å | ||
| 363 | F | 83.6 | Confident | 76.8 | Confident | 6 Ų | 6 | 79.5 Ų | 79.5 | 3% | 0.026 | 41% | 0.405 | C | S | . | . | B | Isolated β-bridge | trans | -62.5 | 141 | 171.5 | -63.7 | -65.2 | 0 | 0 | 0 | 109.5 | H355 T356 D365 L368 E369 Y372 R599 F602 L603 | H355-F363 WeakPolarHBondContact O-CA 3.29Å; T356-F363 HydrophobicContact CG2-CD1 3.45Å; T356-F363 VanDerWaalsContact CG2-CD1 3.45Å; T356-F363 HydrophobicContact CG2-CE1 3.61Å; T356-F363 HydrophobicContact CG2-CG 4.41Å; F363-D365 VanDerWaalsContact C-N 3.25Å; F363-L368 HydrophobicContact CB-CB 4.17Å; F363-L368 HydrophobicContact CD2-CB 4.38Å; F363-L368 HydrophobicContact CG-CB 4.26Å; F363-E369 HydrophobicContact CB-CB 4.39Å; F363-E369 HydrophobicContact CD2-CB 4.49Å; F363-E369 VanDerWaalsContact CD2-OE2 3.29Å; F363-E369 WeakPolarHBondContact CD2-OE2 3.44Å; F363-E369 PolarHBondContact N-OE2 2.94Å; F363-Y372 HydrophobicContact CE2-CD1 4.17Å; F363-Y372 HydrophobicContact CE2-CD2 4.25Å; F363-Y372 AromaticContact CE2-CG 3.81Å; F363-Y372 HydrophobicContact CE2-CG 3.81Å; F363-R599 HydrophobicContact CE1-CB 4.37Å; F363-R599 HydrophobicContact CE2-CG 4.31Å; F363-R599 HydrophobicContact CZ-CB 3.79Å; F363-R599 HydrophobicContact CZ-CG 4.04Å; F363-F602 AromaticContact CE2-CD1 3.97Å; F363-F602 HydrophobicContact CE2-CD1 3.97Å; F363-F602 HydrophobicContact CE2-CE1 4.22Å; F363-F602 AromaticContact CZ-CD1 3.99Å; F363-F602 HydrophobicContact CZ-CD1 3.99Å; F363-L603 HydrophobicContact CD1-CD2 4.29Å; F363-L603 HydrophobicContact CE1-CD1 3.78Å; F363-L603 HydrophobicContact CE1-CD2 3.72Å; F363-L603 HydrophobicContact CE1-CG 3.67Å; F363-L603 HydrophobicContact CZ-CD2 4.2Å; F363-L603 HydrophobicContact CZ-CG 4.04Å |
| 364 | V | 80.9 | Confident | 77.7 | Confident | 89 Ų | 89 | 82.7 Ų | 82.7 | 54% | 0.539 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -66.8 | -34.5 | 176.2 | 175.1 | 0 | 0 | 0 | 0 | 110.2 | H355 | H355-V364 PolarHBondContact O-N 3.05Š|
| 365 | D | 81 | Confident | 78.4 | Confident | 65 Ų | 65 | 78.4 Ų | 78.4 | 35% | 0.348 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -79.9 | 120.8 | 173.9 | -178.3 | -14.7 | 0 | 0 | 0 | 110.6 | F363 D367 L368 E369 | F363-D365 VanDerWaalsContact C-N 3.25Å; D365-D367 VanDerWaalsContact C-N 3.32Å; D365-D367 PolarHBondContact O-N 3.22Å; D365-D367 PolarHBondContact OD1-N 3.05Å; D365-L368 HydrophobicContact CB-CB 4.14Å; D365-L368 HydrophobicContact CB-CD1 3.9Å; D365-L368 HydrophobicContact CB-CG 4.17Å; D365-E369 PolarHBondContact O-N 3.36Å |
| 366 | P | 82.3 | Confident | 78.5 | Confident | 89 Ų | 89 | 76.3 Ų | 76.3 | 58% | 0.578 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -64.7 | -33 | -178.8 | 27 | -34.2 | 0 | 0 | 0 | 113.1 | E369 V370 | P366-E369 PolarHBondContact O-N 2.98Å; P366-V370 WeakPolarHBondContact O-CG2 3.46Å; P366-V370 PolarHBondContact O-N 3.44Å |
| 367 | D | 83.8 | Confident | 78 | Confident | 109 Ų | 109 | 78.6 Ų | 78.6 | 58% | 0.583 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -74.1 | -36.4 | -176 | -67 | -26.4 | 0 | 0 | 0 | 111.3 | D365 E369 V370 R371 | D365-D367 VanDerWaalsContact C-N 3.32Å; D365-D367 PolarHBondContact O-N 3.22Å; D365-D367 PolarHBondContact OD1-N 3.05Å; D367-E369 VanDerWaalsContact C-N 3.31Å; D367-E369 PolarHBondContact O-N 3.17Å; D367-V370 PolarHBondContact O-N 2.98Å; D367-R371 WeakPolarHBondContact O-CG 3.47Å; D367-R371 PolarHBondContact O-N 3.47Å |
| 368 | L | 82.2 | Confident | 76.9 | Confident | 23 Ų | 23 | 84.8 Ų | 84.8 | 12% | 0.12 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -63.2 | -37.3 | 170.8 | -76 | 175.5 | 0 | 0 | 0 | 111.8 | F363 D365 Y372 I606 | F363-L368 HydrophobicContact CB-CB 4.17Å; F363-L368 HydrophobicContact CD2-CB 4.38Å; F363-L368 HydrophobicContact CG-CB 4.26Å; D365-L368 HydrophobicContact CB-CB 4.14Å; D365-L368 HydrophobicContact CB-CD1 3.9Å; D365-L368 HydrophobicContact CB-CG 4.17Å; L368-Y372 WeakPolarHBondContact O-CB 3.26Å; L368-Y372 PolarHBondContact O-N 3.16Å; L368-I606 HydrophobicContact CD2-CD1 3.61Å; L368-I606 HydrophobicContact CD2-CG2 4.5Å |
| 369 | E | 84.1 | Confident | 76.4 | Confident | 6 Ų | 6 | 80.7 Ų | 80.7 | 3% | 0.028 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -69.5 | -38.8 | 176 | -172.6 | 72.8 | -168.2 | 0 | 0 | 112.3 | R362 F363 D365 P366 D367 Y372 S373 R599 | R362-E369 HydrophobicContact CG-CG 3.79Å; R362-E369 VanDerWaalsContact CG-OE2 3.3Å; R362-E369 WeakPolarHBondContact CG-OE2 3.46Å; F363-E369 HydrophobicContact CB-CB 4.39Å; F363-E369 HydrophobicContact CD2-CB 4.49Å; F363-E369 VanDerWaalsContact CD2-OE2 3.29Å; F363-E369 WeakPolarHBondContact CD2-OE2 3.44Å; F363-E369 PolarHBondContact N-OE2 2.94Å; D365-E369 PolarHBondContact O-N 3.36Å; P366-E369 PolarHBondContact O-N 2.98Å; D367-E369 VanDerWaalsContact C-N 3.31Å; D367-E369 PolarHBondContact O-N 3.17Å; E369-Y372 PolarHBondContact O-N 3.45Å; E369-S373 WeakPolarHBondContact O-CB 3.39Å; E369-S373 PolarHBondContact O-N 3.44Å; E369-R599 IonicContact OE1-CZ 3.81Å; E369-R599 IonicContact OE1-NH1 3.17Å; E369-R599 IonicContact OE1-NH2 2.94Å; E369-R599 PolarHBondContact OE1-NH2 3.11Å; E369-R599 IonicContact OE2-CZ 3.72Å; E369-R599 IonicContact OE2-NH1 3.94Å; E369-R599 PolarHBondContact OE2-NH1 3.07Å; E369-R599 IonicContact OE2-NH2 2.96Å |
| 370 | V | 82.4 | Confident | 75.7 | Confident | 81 Ų | 81 | 74.4 Ų | 74.4 | 49% | 0.491 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.6 | -49.4 | 174.6 | 172.2 | 0 | 0 | 0 | 0 | 109.9 | P366 D367 Y372 S373 I374 | P366-V370 WeakPolarHBondContact O-CG2 3.46Å; P366-V370 PolarHBondContact O-N 3.44Å; D367-V370 PolarHBondContact O-N 2.98Å; V370-Y372 PolarHBondContact O-N 2.72Å; V370-S373 WeakPolarHBondContact O-CB 3.31Å; V370-S373 PolarHBondContact O-N 2.89Å; V370-S373 PolarHBondContact O-OG 2.99Å; V370-I374 HydrophobicContact CG1-CD1 3.88Å; V370-I374 WeakPolarHBondContact O-CG1 3.49Å; V370-I374 PolarHBondContact O-N 3.07Å |
| 371 | R | 82.4 | Confident | 75.1 | Confident | 119 Ų | 119 | 72.4 Ų | 72.4 | 45% | 0.449 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -58.2 | -46 | 176.6 | -72.6 | -173.5 | -77.2 | 176 | -7.7 | 112.2 | D367 S373 I374 E375 F602 | D367-R371 WeakPolarHBondContact O-CG 3.47Å; D367-R371 PolarHBondContact O-N 3.47Å; R371-S373 VanDerWaalsContact C-N 3.26Å; R371-S373 PolarHBondContact O-N 3.36Å; R371-I374 PolarHBondContact O-N 3.45Å; R371-E375 PolarHBondContact O-N 3.25Å; R371-E375 VanDerWaalsContact O-N 3.15Å; R371-F602 HydrophobicContact CB-CZ 3.87Å |
| 372 | Y | 79.9 | Confident | 74.8 | Confident | 28 Ų | 28 | 74.1 Ų | 74.1 | 11% | 0.11 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60.3 | -36.2 | 175.3 | 178.5 | -112.5 | 0 | 0 | 0 | 112.7 | F363 L368 E369 V370 I374 R599 F602 | F363-Y372 HydrophobicContact CE2-CD1 4.17Å; F363-Y372 HydrophobicContact CE2-CD2 4.25Å; F363-Y372 AromaticContact CE2-CG 3.81Å; F363-Y372 HydrophobicContact CE2-CG 3.81Å; L368-Y372 WeakPolarHBondContact O-CB 3.26Å; L368-Y372 PolarHBondContact O-N 3.16Å; E369-Y372 PolarHBondContact O-N 3.45Å; V370-Y372 PolarHBondContact O-N 2.72Å; Y372-I374 VanDerWaalsContact C-N 3.3Å; Y372-I374 PolarHBondContact O-N 3.19Å; Y372-R599 HydrophobicContact CE1-CG 3.91Å; Y372-R599 HydrophobicContact CE2-CG 4.15Å; Y372-F602 VanDerWaalsContact CA-CZ 3.44Å; Y372-F602 HydrophobicContact CD2-CB 3.76Å; Y372-F602 AromaticContact CD2-CD1 3.73Å; Y372-F602 HydrophobicContact CD2-CD1 3.73Å; Y372-F602 AromaticContact CD2-CD2 3.96Å; Y372-F602 HydrophobicContact CD2-CD2 3.96Å; Y372-F602 HydrophobicContact CD2-CE1 4.25Å; Y372-F602 HydrophobicContact CD2-CE2 4.46Å; Y372-F602 AromaticContact CD2-CG 3.55Å; Y372-F602 HydrophobicContact CD2-CG 3.55Å; Y372-F602 HydrophobicContact CE2-CB 4.04Å; Y372-F602 HydrophobicContact CE2-CG 4.32Å; Y372-F602 HydrophobicContact CG-CD1 4.24Å; Y372-F602 HydrophobicContact CG-CE1 4.39Å; Y372-F602 HydrophobicContact CG-CG 4.44Å; Y372-F602 VanDerWaalsContact N-CZ 3.26Å |
| 373 | S | 74.6 | Confident | 74.5 | Confident | 41 Ų | 41 | 69 Ų | 69 | 29% | 0.287 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -69.7 | -28.4 | -179.2 | 78.2 | 0 | 0 | 0 | 0 | 113.4 | E369 V370 R371 | E369-S373 WeakPolarHBondContact O-CB 3.39Å; E369-S373 PolarHBondContact O-N 3.44Å; V370-S373 WeakPolarHBondContact O-CB 3.31Å; V370-S373 PolarHBondContact O-N 2.89Å; V370-S373 PolarHBondContact O-OG 2.99Å; R371-S373 VanDerWaalsContact C-N 3.26Å; R371-S373 PolarHBondContact O-N 3.36Å |
| 374 | I | 72.8 | Confident | 74.5 | Confident | 122 Ų | 122 | 69.2 Ų | 69.2 | 63% | 0.626 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -83 | -33.4 | 179.4 | -64.3 | 165.5 | 0 | 0 | 0 | 111.2 | V370 R371 Y372 K376 | V370-I374 HydrophobicContact CG1-CD1 3.88Å; V370-I374 WeakPolarHBondContact O-CG1 3.49Å; V370-I374 PolarHBondContact O-N 3.07Å; R371-I374 PolarHBondContact O-N 3.45Å; Y372-I374 VanDerWaalsContact C-N 3.3Å; Y372-I374 PolarHBondContact O-N 3.19Å; I374-K376 PolarHBondContact O-N 3.38Å |
| 375 | E | 68.6 | Low | 74.6 | Confident | 99 Ų | 99 | 67.1 Ų | 67.1 | 46% | 0.463 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -71.4 | 6.5 | -176.1 | -162.5 | 100.6 | -154.9 | 0 | 0 | 114.9 | R371 F602 K605 | R371-E375 PolarHBondContact O-N 3.25Å; R371-E375 VanDerWaalsContact O-N 3.15Å; E375-F602 HydrophobicContact CB-CD2 4.35Å; E375-F602 HydrophobicContact CB-CE2 4.02Å; E375-F602 HydrophobicContact CG-CD2 4.18Å; E375-F602 HydrophobicContact CG-CE2 4.1Å; E375-K605 IonicContact OE1-NZ 2.81Å; E375-K605 PolarHBondContact OE1-NZ 3.48Å |
| 376 | K | 65.3 | Low | 74.8 | Confident | 61 Ų | 61 | 65.9 Ų | 65.9 | 27% | 0.265 | 34% | 0.342 | S | S | . | . | trans | -69.9 | 150.9 | -172.9 | -76.3 | -174.3 | 172.7 | -178.2 | 0 | 113.7 | I374 Q525 | I374-K376 PolarHBondContact O-N 3.38Å; K376-Q525 PolarHBondContact NZ-O 2.93Å | ||
| 377 | E | 61.6 | Low | 75 | Confident | 91 Ų | 91 | 61.7 Ų | 61.7 | 43% | 0.425 | 32% | 0.315 | S | S | . | . | trans | -56.6 | 136.5 | -168.1 | -73.9 | 169.6 | -168.6 | 0 | 0 | 115 | K5 Q379 Q525 | K5-E377 WeakPolarHBondContact CE-OE1 3.44Å; K5-E377 IonicContact NZ-OE1 2.68Å; K5-E377 PolarHBondContact NZ-OE1 2.97Å; E377-Q379 PolarHBondContact O-N 3.33Å; E377-Q525 PolarHBondContact O-NE2 2.97Å | ||
| 378 | K | 56.7 | Low | 75.3 | Confident | 206 Ų | 206 | 57.4 Ų | 57.4 | 90% | 0.896 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | 7.2 | 176.2 | -65.7 | -176.9 | 176 | -177.6 | 0 | 115.5 | ||
| 379 | Q | 63.1 | Low | 75.7 | Confident | 142 Ų | 142 | 61 Ų | 61 | 66% | 0.664 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.9 | 29.9 | -175.6 | -67.6 | -176.8 | -19.9 | 0 | 0 | 112.8 | E377 G381 | E377-Q379 PolarHBondContact O-N 3.33Å; Q379-G381 PolarHBondContact O-N 3.49Å |
| 380 | S | 62 | Low | 76 | Confident | 5 Ų | 5 | 61.7 Ų | 61.7 | 4% | 0.035 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -48.5 | -48.9 | 176 | 47.6 | 0 | 0 | 0 | 0 | 114.6 | A382 A383 D447 Q525 | S380-A382 PolarHBondContact O-N 3.35Å; S380-A383 WeakPolarHBondContact O-CB 3.35Å; S380-A383 PolarHBondContact O-N 3.41Å; S380-A383 VanDerWaalsContact O-N 3.17Å; S380-D447 WeakPolarHBondContact CB-OD1 3.45Å; S380-D447 PolarHBondContact OG-OD1 3.12Å; S380-D447 PolarHBondContact OG-OD2 3.03Å; S380-Q525 VanDerWaalsContact CA-NE2 3.3Å |
| 381 | G | 66.9 | Low | 76.3 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -61.6 | -30.1 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q379 A383 F384 S426 | Q379-G381 PolarHBondContact O-N 3.49Å; G381-A383 PolarHBondContact O-N 3.06Å; G381-F384 PolarHBondContact O-N 3.17Å; G381-S426 WeakPolarHBondContact CA-O 3.34Å |
| 382 | A | 74.6 | Confident | 76.7 | Confident | 49 Ų | 49 | 57 Ų | 57 | 41% | 0.405 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -66.3 | -23.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | S380 F384 C385 I430 | S380-A382 PolarHBondContact O-N 3.35Å; A382-F384 VanDerWaalsContact C-N 3.27Å; A382-F384 PolarHBondContact O-N 3.49Å; A382-C385 WeakPolarHBondContact O-CB 3.47Å; A382-C385 PolarHBondContact O-N 2.85Å; A382-I430 HydrophobicContact CB-CD1 4.5Å |
| 383 | A | 76.8 | Confident | 77.2 | Confident | 19 Ų | 19 | 60.1 Ų | 60.1 | 16% | 0.157 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -68.3 | -26.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S380 G381 C385 C386 | S380-A383 WeakPolarHBondContact O-CB 3.35Å; S380-A383 PolarHBondContact O-N 3.41Å; S380-A383 VanDerWaalsContact O-N 3.17Å; G381-A383 PolarHBondContact O-N 3.06Å; A383-C385 VanDerWaalsContact C-N 3.32Å; A383-C386 WeakPolarHBondContact O-CB 3.48Å; A383-C386 PolarHBondContact O-N 3.46Å |
| 384 | F | 81.7 | Confident | 77.7 | Confident | 10 Ų | 10 | 58.2 Ų | 58.2 | 4% | 0.044 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -74.1 | -24.3 | 178.4 | -64.1 | -81.4 | 0 | 0 | 0 | 112.3 | G381 A382 C386 S387 T423 S426 W456 A457 A460 L523 | G381-F384 PolarHBondContact O-N 3.17Å; A382-F384 VanDerWaalsContact C-N 3.27Å; A382-F384 PolarHBondContact O-N 3.49Å; F384-C386 PolarHBondContact O-N 2.85Å; F384-S387 PolarHBondContact O-N 3.28Å; F384-S387 VanDerWaalsContact O-N 3.13Å; F384-T423 VanDerWaalsContact C-CG2 3.44Å; F384-T423 HydrophobicContact CB-CG2 3.76Å; F384-T423 VanDerWaalsContact O-CG2 3.26Å; F384-T423 WeakPolarHBondContact O-CG2 3.42Å; F384-S426 WeakPolarHBondContact CD2-OG 3.3Å; F384-W456 HydrophobicContact CE1-CB 4.44Å; F384-W456 HydrophobicContact CZ-CB 4.46Å; F384-A457 HydrophobicContact CE1-CB 4.15Å; F384-A460 HydrophobicContact CD1-CB 4.35Å; F384-L523 HydrophobicContact CD1-CD2 4.13Å; F384-L523 HydrophobicContact CE1-CD2 4.07Å |
| 385 | C | 84.8 | Confident | 78.4 | Confident | 44 Ų | 44 | 54 Ų | 54 | 30% | 0.297 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.6 | -27.4 | 174.6 | -60.3 | 0 | 0 | 0 | 0 | 112.2 | A382 A383 S387 C388 V389 | A382-C385 WeakPolarHBondContact O-CB 3.47Å; A382-C385 PolarHBondContact O-N 2.85Å; A383-C385 VanDerWaalsContact C-N 3.32Å; C385-S387 VanDerWaalsContact C-N 3.28Å; C385-S387 PolarHBondContact O-N 2.99Å; C385-C388 PolarHBondContact O-N 3.33Å; C385-V389 WeakPolarHBondContact O-CG2 3.49Å; C385-V389 PolarHBondContact O-N 3.45Å |
| 386 | C | 83.6 | Confident | 79.3 | Confident | 40 Ų | 40 | 52.6 Ų | 52.6 | 27% | 0.27 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.1 | -35.8 | 176.4 | -65.1 | 0 | 0 | 0 | 0 | 112.5 | A383 F384 V389 V390 M522 | A383-C386 WeakPolarHBondContact O-CB 3.48Å; A383-C386 PolarHBondContact O-N 3.46Å; F384-C386 PolarHBondContact O-N 2.85Å; C386-V389 PolarHBondContact O-N 3.07Å; C386-V390 WeakPolarHBondContact O-CG2 3.4Å; C386-V390 PolarHBondContact O-N 3.08Å; C386-M522 HydrophobicContact CB-CB 4.16Å; C386-M522 HydrophobicContact CB-CG 4.42Å |
| 387 | S | 87.6 | Confident | 80.2 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.007 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67 | -39 | 177.8 | -61.6 | 0 | 0 | 0 | 0 | 112 | F384 C385 V390 L391 | F384-S387 PolarHBondContact O-N 3.28Å; F384-S387 VanDerWaalsContact O-N 3.13Å; C385-S387 VanDerWaalsContact C-N 3.28Å; C385-S387 PolarHBondContact O-N 2.99Å; S387-V390 PolarHBondContact O-N 3.1Å; S387-L391 PolarHBondContact O-N 2.89Å; S387-L391 VanDerWaalsContact O-N 3.08Å |
| 388 | C | 89.1 | Confident | 81.1 | Confident | 18 Ų | 18 | 47 Ų | 47 | 12% | 0.122 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.9 | -42.3 | 171.5 | -67.4 | 0 | 0 | 0 | 0 | 111.7 | C385 V390 L391 L392 E416 L419 T423 | C385-C388 PolarHBondContact O-N 3.33Å; C388-V390 VanDerWaalsContact C-N 3.32Å; C388-V390 PolarHBondContact O-N 2.8Å; C388-L391 PolarHBondContact O-N 3.21Å; C388-L392 VanDerWaalsContact O-CB 3.28Å; C388-L392 WeakPolarHBondContact O-CB 3.37Å; C388-L392 PolarHBondContact O-N 3.16Å; C388-E416 VanDerWaalsContact O-OE1 3.11Å; C388-L419 VanDerWaalsContact SG-CB 3.56Å; C388-T423 VanDerWaalsContact SG-CG2 3.55Å |
| 389 | V | 90.2 | Very high | 82.3 | Confident | 98 Ų | 98 | 39.2 Ų | 39.2 | 59% | 0.594 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -64.4 | -39.3 | 179.1 | 173 | 0 | 0 | 0 | 0 | 111.4 | C385 C386 F393 | C385-V389 WeakPolarHBondContact O-CG2 3.49Å; C385-V389 PolarHBondContact O-N 3.45Å; C386-V389 PolarHBondContact O-N 3.07Å; V389-F393 VanDerWaalsContact O-CB 3.32Å; V389-F393 WeakPolarHBondContact O-CB 3.41Å; V389-F393 PolarHBondContact O-N 2.98Å |
| 390 | V | 90.5 | Very high | 83.1 | Confident | 21 Ų | 21 | 38.5 Ų | 38.5 | 13% | 0.127 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.6 | -47.4 | 176.9 | 170.5 | 0 | 0 | 0 | 0 | 110.6 | C386 S387 C388 L392 F393 T394 L464 L515 A519 | C386-V390 WeakPolarHBondContact O-CG2 3.4Å; C386-V390 PolarHBondContact O-N 3.08Å; S387-V390 PolarHBondContact O-N 3.1Å; C388-V390 VanDerWaalsContact C-N 3.32Å; C388-V390 PolarHBondContact O-N 2.8Å; V390-L392 VanDerWaalsContact C-N 3.34Å; V390-L392 PolarHBondContact O-N 2.83Å; V390-F393 PolarHBondContact O-N 2.78Å; V390-T394 HydrophobicContact CG1-CG2 4.46Å; V390-T394 WeakPolarHBondContact O-CG2 3.37Å; V390-T394 PolarHBondContact O-N 3.26Å; V390-T394 PolarHBondContact O-OG1 2.88Å; V390-L464 HydrophobicContact CG1-CD1 4.14Å; V390-L464 HydrophobicContact CG1-CD2 4.3Å; V390-L515 HydrophobicContact CG1-CB 3.9Å; V390-A519 HydrophobicContact CG2-CB 4.21Å |
| 391 | L | 89.8 | Confident | 83.6 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.6 | -33.6 | -179.8 | -173.6 | 64.3 | 0 | 0 | 0 | 112.8 | S387 C388 F393 T394 T395 F412 G415 E416 L419 L464 A467 | S387-L391 PolarHBondContact O-N 2.89Å; S387-L391 VanDerWaalsContact O-N 3.08Å; C388-L391 PolarHBondContact O-N 3.21Å; L391-F393 VanDerWaalsContact C-N 3.34Å; L391-T394 WeakPolarHBondContact CA-OG1 3.5Å; L391-T394 PolarHBondContact O-N 2.92Å; L391-T394 PolarHBondContact O-OG1 3.22Å; L391-T395 WeakPolarHBondContact O-CB 3.47Å; L391-T395 PolarHBondContact O-N 3.24Å; L391-T395 PolarHBondContact O-OG1 3.38Å; L391-F412 HydrophobicContact CD1-CD1 3.47Å; L391-F412 VanDerWaalsContact CD1-CD1 3.47Å; L391-F412 HydrophobicContact CD1-CE1 3.83Å; L391-F412 HydrophobicContact CG-CD1 4.43Å; L391-G415 VanDerWaalsContact CD2-C 3.49Å; L391-E416 WeakPolarHBondContact CB-OE1 3.39Å; L391-E416 HydrophobicContact CD2-CB 4.5Å; L391-E416 HydrophobicContact CD2-CG 3.91Å; L391-E416 HydrophobicContact CG-CG 4.1Å; L391-E416 VanDerWaalsContact CG-OE1 3.29Å; L391-E416 WeakPolarHBondContact CG-OE1 3.37Å; L391-L419 HydrophobicContact CB-CD1 4.11Å; L391-L419 HydrophobicContact CD2-CD1 3.63Å; L391-L464 HydrophobicContact CB-CD1 3.84Å; L391-L464 HydrophobicContact CD1-CD1 4.04Å; L391-L464 HydrophobicContact CG-CD1 4.47Å; L391-A467 HydrophobicContact CD1-CB 3.95Å |
| 392 | L | 90.9 | Very high | 83.8 | Confident | 103 Ų | 103 | 41.6 Ų | 41.6 | 54% | 0.539 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -67.2 | -41.2 | 174.7 | -178 | 147.8 | 0 | 0 | 0 | 110.2 | C388 V390 T395 V396 E416 | C388-L392 VanDerWaalsContact O-CB 3.28Å; C388-L392 WeakPolarHBondContact O-CB 3.37Å; C388-L392 PolarHBondContact O-N 3.16Å; V390-L392 VanDerWaalsContact C-N 3.34Å; V390-L392 PolarHBondContact O-N 2.83Å; L392-T395 PolarHBondContact O-N 2.91Å; L392-V396 HydrophobicContact CD2-CG2 4.34Å; L392-V396 WeakPolarHBondContact O-CG2 3.49Å; L392-V396 PolarHBondContact O-N 3.43Å; L392-E416 WeakPolarHBondContact CA-OE1 3.49Å; L392-E416 PolarHBondContact N-OE1 3.03Å |
| 393 | F | 89.8 | Confident | 83.7 | Confident | 92 Ų | 92 | 43.4 Ų | 43.4 | 40% | 0.404 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65.9 | -40.7 | 175.8 | -178.9 | -94.5 | 0 | 0 | 0 | 112.1 | V389 V390 L391 T395 V396 M397 L515 | V389-F393 VanDerWaalsContact O-CB 3.32Å; V389-F393 WeakPolarHBondContact O-CB 3.41Å; V389-F393 PolarHBondContact O-N 2.98Å; V390-F393 PolarHBondContact O-N 2.78Å; L391-F393 VanDerWaalsContact C-N 3.34Å; F393-T395 VanDerWaalsContact C-N 3.34Å; F393-V396 PolarHBondContact O-N 3.1Å; F393-M397 HydrophobicContact CD1-CG 4.07Å; F393-M397 HydrophobicContact CD2-CE 4.35Å; F393-M397 HydrophobicContact CE1-CE 4.31Å; F393-M397 HydrophobicContact CE1-CG 3.65Å; F393-M397 HydrophobicContact CE2-CE 3.5Å; F393-M397 HydrophobicContact CE2-CG 4.35Å; F393-M397 HydrophobicContact CZ-CE 3.48Å; F393-M397 VanDerWaalsContact CZ-CE 3.48Å; F393-M397 HydrophobicContact CZ-CG 3.82Å; F393-M397 HydrophobicContact CZ-SD 4.17Å; F393-M397 WeakPolarHBondContact O-CG 3.49Å; F393-M397 PolarHBondContact O-N 2.91Å; F393-L515 HydrophobicContact CD1-CD1 3.72Å; F393-L515 HydrophobicContact CE1-CD1 3.79Å |
| 394 | T | 85.9 | Confident | 83.3 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.006 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.7 | -41.1 | 175 | 57.6 | 0 | 0 | 0 | 0 | 111 | V390 L391 V396 M397 E398 I512 L515 | V390-T394 HydrophobicContact CG1-CG2 4.46Å; V390-T394 WeakPolarHBondContact O-CG2 3.37Å; V390-T394 PolarHBondContact O-N 3.26Å; V390-T394 PolarHBondContact O-OG1 2.88Å; L391-T394 WeakPolarHBondContact CA-OG1 3.5Å; L391-T394 PolarHBondContact O-N 2.92Å; L391-T394 PolarHBondContact O-OG1 3.22Å; T394-V396 PolarHBondContact O-N 3.17Å; T394-M397 PolarHBondContact O-N 2.85Å; T394-E398 WeakPolarHBondContact O-CB 3.19Å; T394-E398 PolarHBondContact O-N 3.24Å; T394-I512 HydrophobicContact CG2-CB 4.48Å; T394-I512 HydrophobicContact CG2-CG1 4.32Å; T394-I512 HydrophobicContact CG2-CG2 3.6Å; T394-L515 HydrophobicContact CG2-CD1 4.27Å |
| 395 | T | 87.6 | Confident | 82.8 | Confident | 33 Ų | 33 | 53.2 Ų | 53.2 | 20% | 0.202 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.2 | -42.7 | 174.8 | -52.6 | 0 | 0 | 0 | 0 | 112.4 | L391 L392 F393 A399 Y409 F412 | L391-T395 WeakPolarHBondContact O-CB 3.47Å; L391-T395 PolarHBondContact O-N 3.24Å; L391-T395 PolarHBondContact O-OG1 3.38Å; L392-T395 PolarHBondContact O-N 2.91Å; F393-T395 VanDerWaalsContact C-N 3.34Å; T395-A399 WeakPolarHBondContact O-CB 3.34Å; T395-A399 PolarHBondContact O-N 2.86Å; T395-Y409 HydrophobicContact CG2-CD1 4.47Å; T395-F412 HydrophobicContact CG2-CB 4.2Å; T395-F412 WeakPolarHBondContact OG1-CB 3.47Å |
| 396 | V | 87.5 | Confident | 82.3 | Confident | 71 Ų | 71 | 56.9 Ų | 56.9 | 43% | 0.43 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -66.7 | -41.7 | 176.7 | 170.6 | 0 | 0 | 0 | 0 | 111.1 | L392 F393 T394 A399 L400 | L392-V396 HydrophobicContact CD2-CG2 4.34Å; L392-V396 WeakPolarHBondContact O-CG2 3.49Å; L392-V396 PolarHBondContact O-N 3.43Å; F393-V396 PolarHBondContact O-N 3.1Å; T394-V396 PolarHBondContact O-N 3.17Å; V396-A399 PolarHBondContact O-N 3.04Å; V396-L400 HydrophobicContact CG1-CD1 4.42Å; V396-L400 WeakPolarHBondContact O-CG 3.45Å; V396-L400 PolarHBondContact O-N 3.29Å; V396-L400 VanDerWaalsContact O-N 3.17Å |
| 397 | M | 84.1 | Confident | 82 | Confident | 34 Ų | 34 | 60.2 Ų | 60.2 | 17% | 0.167 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.2 | -41.6 | 177.7 | -73.5 | -63.6 | 141.9 | 0 | 0 | 111.7 | F393 T394 A399 L400 I401 Y508 | F393-M397 HydrophobicContact CD1-CG 4.07Å; F393-M397 HydrophobicContact CD2-CE 4.35Å; F393-M397 HydrophobicContact CE1-CE 4.31Å; F393-M397 HydrophobicContact CE1-CG 3.65Å; F393-M397 HydrophobicContact CE2-CE 3.5Å; F393-M397 HydrophobicContact CE2-CG 4.35Å; F393-M397 HydrophobicContact CZ-CE 3.48Å; F393-M397 VanDerWaalsContact CZ-CE 3.48Å; F393-M397 HydrophobicContact CZ-CG 3.82Å; F393-M397 HydrophobicContact CZ-SD 4.17Å; F393-M397 WeakPolarHBondContact O-CG 3.49Å; F393-M397 PolarHBondContact O-N 2.91Å; T394-M397 PolarHBondContact O-N 2.85Å; M397-A399 VanDerWaalsContact C-N 3.28Å; M397-A399 PolarHBondContact O-N 3.24Å; M397-L400 HydrophobicContact CE-CD1 4.27Å; M397-L400 PolarHBondContact O-N 3.31Å; M397-L400 VanDerWaalsContact O-N 3.12Å; M397-L400 HydrophobicContact SD-CD1 4.36Å; M397-I401 VanDerWaalsContact O-CG1 3.3Å; M397-I401 WeakPolarHBondContact O-CG1 3.3Å; M397-I401 PolarHBondContact O-N 3.11Å; M397-Y508 HydrophobicContact CB-CE1 4.05Å; M397-Y508 HydrophobicContact CG-CE1 4.27Å; M397-Y508 HydrophobicContact SD-CE1 4.37Å; M397-Y508 PolarHBondContact SD-OH 3.19Å |
| 398 | E | 79.7 | Confident | 81.6 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61 | -39.9 | 174.4 | -172 | 65.8 | -174.1 | 0 | 0 | 111 | T394 L400 I401 D402 N408 F412 | T394-E398 WeakPolarHBondContact O-CB 3.19Å; T394-E398 PolarHBondContact O-N 3.24Å; E398-L400 PolarHBondContact O-N 2.96Å; E398-I401 PolarHBondContact O-N 3.37Å; E398-D402 CarbonylContact O-C 3.6Å; E398-D402 PolarHBondContact O-N 3.1Å; E398-N408 HydrophobicContact CG-CB 4.46Å; E398-N408 PolarHBondContact OE1-ND2 2.92Å; E398-F412 HydrophobicContact CB-CE2 4.08Å; E398-F412 HydrophobicContact CG-CE2 4.04Å |
| 399 | A | 81.5 | Confident | 81.4 | Confident | 42 Ų | 42 | 62.7 Ų | 62.7 | 35% | 0.347 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.9 | -26.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115 | T395 V396 M397 Y409 | T395-A399 WeakPolarHBondContact O-CB 3.34Å; T395-A399 PolarHBondContact O-N 2.86Å; V396-A399 PolarHBondContact O-N 3.04Å; M397-A399 VanDerWaalsContact C-N 3.28Å; M397-A399 PolarHBondContact O-N 3.24Å; A399-Y409 WeakPolarHBondContact CA-OH 3.1Å; A399-Y409 HydrophobicContact CB-CE1 3.94Å; A399-Y409 WeakPolarHBondContact CB-OH 3.48Å |
| 400 | L | 79.9 | Confident | 81.2 | Confident | 127 Ų | 127 | 63.2 Ų | 63.2 | 67% | 0.665 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -83.1 | -30.9 | 175.9 | -67.4 | 173.6 | 0 | 0 | 0 | 112.3 | V396 M397 E398 | V396-L400 HydrophobicContact CG1-CD1 4.42Å; V396-L400 WeakPolarHBondContact O-CG 3.45Å; V396-L400 PolarHBondContact O-N 3.29Å; V396-L400 VanDerWaalsContact O-N 3.17Å; M397-L400 HydrophobicContact CE-CD1 4.27Å; M397-L400 PolarHBondContact O-N 3.31Å; M397-L400 VanDerWaalsContact O-N 3.12Å; M397-L400 HydrophobicContact SD-CD1 4.36Å; E398-L400 PolarHBondContact O-N 2.96Å |
| 401 | I | 73.3 | Confident | 80.9 | Confident | 59 Ų | 59 | 63.7 Ų | 63.7 | 30% | 0.303 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -86.9 | -55.6 | -175.5 | -64.8 | 167.2 | 0 | 0 | 0 | 110.1 | M397 E398 Y508 | M397-I401 VanDerWaalsContact O-CG1 3.3Å; M397-I401 WeakPolarHBondContact O-CG1 3.3Å; M397-I401 PolarHBondContact O-N 3.11Å; E398-I401 PolarHBondContact O-N 3.37Å; I401-Y508 HydrophobicContact CD1-CD1 3.26Å; I401-Y508 HydrophobicContact CD1-CD2 4Å; I401-Y508 HydrophobicContact CD1-CE1 3.44Å; I401-Y508 VanDerWaalsContact CD1-CE1 3.44Å; I401-Y508 HydrophobicContact CD1-CE2 4.15Å; I401-Y508 HydrophobicContact CD1-CG 3.55Å |
| 402 | D | 70.9 | Confident | 80.8 | Confident | 11 Ų | 11 | 63.7 Ų | 63.7 | 6% | 0.059 | 33% | 0.327 | C | S | . | . | trans | -134.4 | 79.9 | -172.6 | -75.3 | -29.3 | 0 | 0 | 0 | 112.7 | E398 R404 L405 G501 C502 | E398-D402 CarbonylContact O-C 3.6Å; E398-D402 PolarHBondContact O-N 3.1Å; D402-R404 PolarHBondContact O-N 3.03Å; D402-L405 HydrophobicContact CB-CD1 4.3Å; D402-G501 VanDerWaalsContact OD1-CA 3.24Å; D402-G501 WeakPolarHBondContact OD1-CA 3.37Å; D402-C502 PolarHBondContact OD1-N 2.98Å; D402-C502 WeakPolarHBondContact OD2-CA 3.47Å; D402-C502 WeakPolarHBondContact OD2-CB 3.29Å; D402-C502 PolarHBondContact OD2-N 3.41Å | ||
| 403 | P | 72.7 | Confident | 80.8 | Confident | 87 Ų | 87 | 60.3 Ų | 60.3 | 57% | 0.565 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -1 | -175.2 | 27.5 | -35.5 | 0 | 0 | 0 | 115.4 | Y409 | P403-Y409 WeakPolarHBondContact CA-OH 3.5Š|
| 404 | R | 67.8 | Low | 80.8 | Confident | 190 Ų | 190 | 59.8 Ų | 59.8 | 72% | 0.717 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.1 | -12.6 | -169.4 | -67 | -177.8 | 177 | 167 | -1.3 | 114.2 | D402 I406 | D402-R404 PolarHBondContact O-N 3.03Å; R404-I406 PolarHBondContact O-N 3.03Å |
| 405 | L | 70.8 | Confident | 81.1 | Confident | 45 Ų | 45 | 60 Ų | 60 | 24% | 0.236 | 32% | 0.322 | C | S | . | . | trans | -86.5 | 82.7 | -178.8 | -82 | 156.8 | 0 | 0 | 0 | 111.3 | D402 I407 N408 Y409 | D402-L405 HydrophobicContact CB-CD1 4.3Å; L405-I407 PolarHBondContact O-N 2.99Å; L405-I407 VanDerWaalsContact O-N 3.16Å; L405-N408 HydrophobicContact CB-CB 4.38Å; L405-N408 PolarHBondContact O-N 3.37Å; L405-Y409 VanDerWaalsContact O-CD2 3.29Å; L405-Y409 WeakPolarHBondContact O-CD2 3.21Å | ||
| 406 | I | 75.6 | Confident | 81.3 | Confident | 122 Ų | 122 | 60.2 Ų | 60.2 | 63% | 0.626 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -57.1 | -32 | -178.7 | -62 | 175.5 | 0 | 0 | 0 | 112.4 | R404 N408 Y409 I410 | R404-I406 PolarHBondContact O-N 3.03Å; I406-N408 PolarHBondContact O-N 3.38Å; I406-Y409 PolarHBondContact O-N 3.33Å; I406-I410 HydrophobicContact CG2-CD1 4.21Å; I406-I410 WeakPolarHBondContact O-CG1 3.48Å; I406-I410 PolarHBondContact O-N 2.93Å |
| 407 | I | 77.9 | Confident | 81.6 | Confident | 109 Ų | 109 | 61.9 Ų | 61.9 | 56% | 0.559 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -62.8 | -41.1 | -179.4 | -61.9 | 173.2 | 0 | 0 | 0 | 111.3 | L405 Y409 I410 T411 | L405-I407 PolarHBondContact O-N 2.99Å; L405-I407 VanDerWaalsContact O-N 3.16Å; I407-Y409 VanDerWaalsContact C-N 3.34Å; I407-Y409 PolarHBondContact O-N 3.42Å; I407-I410 PolarHBondContact O-N 3.21Å; I407-I410 VanDerWaalsContact O-N 3.16Å; I407-T411 PolarHBondContact O-N 3.3Å; I407-T411 PolarHBondContact O-OG1 3.32Å |
| 408 | N | 79.1 | Confident | 82 | Confident | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.005 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.8 | -38 | -179.3 | -66.4 | -0.9 | 0 | 0 | 0 | 111.5 | E398 L405 I406 I410 T411 F412 D471 S474 | E398-N408 HydrophobicContact CG-CB 4.46Å; E398-N408 PolarHBondContact OE1-ND2 2.92Å; L405-N408 HydrophobicContact CB-CB 4.38Å; L405-N408 PolarHBondContact O-N 3.37Å; I406-N408 PolarHBondContact O-N 3.38Å; N408-I410 VanDerWaalsContact C-N 3.33Å; N408-I410 PolarHBondContact O-N 3.38Å; N408-T411 WeakPolarHBondContact CA-OG1 3.5Å; N408-T411 PolarHBondContact O-N 3.15Å; N408-T411 PolarHBondContact O-OG1 3.01Å; N408-F412 HydrophobicContact CB-CD2 4.39Å; N408-F412 HydrophobicContact CB-CE2 4.23Å; N408-F412 WeakPolarHBondContact O-CB 3.32Å; N408-F412 WeakPolarHBondContact O-CD2 3.34Å; N408-F412 WeakPolarHBondContact O-CG 3.2Å; N408-F412 PolarHBondContact O-N 2.87Å; N408-D471 VanDerWaalsContact CG-OD1 3.23Å; N408-D471 PolarHBondContact ND2-OD1 3.07Å; N408-S474 WeakPolarHBondContact OD1-CB 3.31Å; N408-S474 PolarHBondContact OD1-OG 2.86Å |
| 409 | Y | 83.5 | Confident | 82.5 | Confident | 71 Ų | 71 | 64.1 Ų | 64.1 | 28% | 0.278 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66 | -34.6 | 175.3 | -64.7 | -68.3 | 0 | 0 | 0 | 113.3 | T395 A399 P403 L405 I406 I407 G413 | T395-Y409 HydrophobicContact CG2-CD1 4.47Å; A399-Y409 WeakPolarHBondContact CA-OH 3.1Å; A399-Y409 HydrophobicContact CB-CE1 3.94Å; A399-Y409 WeakPolarHBondContact CB-OH 3.48Å; P403-Y409 WeakPolarHBondContact CA-OH 3.5Å; L405-Y409 VanDerWaalsContact O-CD2 3.29Å; L405-Y409 WeakPolarHBondContact O-CD2 3.21Å; I406-Y409 PolarHBondContact O-N 3.33Å; I407-Y409 VanDerWaalsContact C-N 3.34Å; I407-Y409 PolarHBondContact O-N 3.42Å; Y409-G413 PolarHBondContact O-N 3.15Å |
| 410 | I | 85.6 | Confident | 83 | Confident | 108 Ų | 108 | 67.9 Ų | 67.9 | 55% | 0.554 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -68.4 | -45.1 | 176.2 | -64 | 169.8 | 0 | 0 | 0 | 109.6 | I406 I407 N408 G413 V414 | I406-I410 HydrophobicContact CG2-CD1 4.21Å; I406-I410 WeakPolarHBondContact O-CG1 3.48Å; I406-I410 PolarHBondContact O-N 2.93Å; I407-I410 PolarHBondContact O-N 3.21Å; I407-I410 VanDerWaalsContact O-N 3.16Å; N408-I410 VanDerWaalsContact C-N 3.33Å; N408-I410 PolarHBondContact O-N 3.38Å; I410-G413 PolarHBondContact O-N 3.34Å; I410-V414 WeakPolarHBondContact O-CG2 3.27Å; I410-V414 PolarHBondContact O-N 3.05Å |
| 411 | T | 85.3 | Confident | 83.6 | Confident | 31 Ų | 31 | 66.1 Ų | 66.1 | 19% | 0.19 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65 | -42.3 | 178.7 | 51 | 0 | 0 | 0 | 0 | 112 | I407 N408 G415 L470 | I407-T411 PolarHBondContact O-N 3.3Å; I407-T411 PolarHBondContact O-OG1 3.32Å; N408-T411 WeakPolarHBondContact CA-OG1 3.5Å; N408-T411 PolarHBondContact O-N 3.15Å; N408-T411 PolarHBondContact O-OG1 3.01Å; T411-G415 PolarHBondContact O-N 3.37Å; T411-L470 HydrophobicContact CG2-CB 4.43Å; T411-L470 HydrophobicContact CG2-CD1 4.23Å |
| 412 | F | 88.4 | Confident | 84.3 | Confident | 1 Ų | 1 | 64.8 Ų | 64.8 | 0% | 0.004 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.8 | -41.4 | 175.2 | -71.2 | -46.8 | 0 | 0 | 0 | 112.6 | L391 T395 E398 N408 V414 G415 E416 A467 D471 | L391-F412 HydrophobicContact CD1-CD1 3.47Å; L391-F412 VanDerWaalsContact CD1-CD1 3.47Å; L391-F412 HydrophobicContact CD1-CE1 3.83Å; L391-F412 HydrophobicContact CG-CD1 4.43Å; T395-F412 HydrophobicContact CG2-CB 4.2Å; T395-F412 WeakPolarHBondContact OG1-CB 3.47Å; E398-F412 HydrophobicContact CB-CE2 4.08Å; E398-F412 HydrophobicContact CG-CE2 4.04Å; N408-F412 HydrophobicContact CB-CD2 4.39Å; N408-F412 HydrophobicContact CB-CE2 4.23Å; N408-F412 WeakPolarHBondContact O-CB 3.32Å; N408-F412 WeakPolarHBondContact O-CD2 3.34Å; N408-F412 WeakPolarHBondContact O-CG 3.2Å; N408-F412 PolarHBondContact O-N 2.87Å; F412-V414 PolarHBondContact O-N 3.11Å; F412-G415 PolarHBondContact O-N 2.86Å; F412-E416 WeakPolarHBondContact O-CB 3.42Å; F412-E416 WeakPolarHBondContact O-CG 3.44Å; F412-E416 PolarHBondContact O-N 2.91Å; F412-A467 HydrophobicContact CD1-CB 4.06Å; F412-A467 HydrophobicContact CE1-CB 4.15Å; F412-D471 HydrophobicContact CE1-CB 4.26Å; F412-D471 HydrophobicContact CE2-CB 4.25Å; F412-D471 HydrophobicContact CZ-CB 3.6Å; F412-D471 VanDerWaalsContact CZ-CG 3.41Å |
| 413 | G | 89.3 | Confident | 85.2 | Confident | 31 Ų | 31 | 64.8 Ų | 64.8 | 32% | 0.32 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.4 | -42 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y409 I410 I417 | Y409-G413 PolarHBondContact O-N 3.15Å; I410-G413 PolarHBondContact O-N 3.34Å; G413-I417 VanDerWaalsContact O-CG1 3.28Å; G413-I417 WeakPolarHBondContact O-CG1 3.17Å; G413-I417 PolarHBondContact O-N 3.35Å; G413-I417 VanDerWaalsContact O-N 3.08Å |
| 414 | V | 91.6 | Very high | 86 | Confident | 82 Ų | 82 | 63 Ų | 63 | 50% | 0.497 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.6 | -44.4 | 174.1 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | I410 F412 E416 I417 L418 | I410-V414 WeakPolarHBondContact O-CG2 3.27Å; I410-V414 PolarHBondContact O-N 3.05Å; F412-V414 PolarHBondContact O-N 3.11Å; V414-E416 PolarHBondContact O-N 3.12Å; V414-I417 PolarHBondContact O-N 2.87Å; V414-L418 HydrophobicContact CG1-CD1 4.04Å; V414-L418 WeakPolarHBondContact O-CG 3.31Å; V414-L418 PolarHBondContact O-N 3.47Å; V414-L418 VanDerWaalsContact O-N 3.07Å |
| 415 | G | 90.4 | Very high | 86.9 | Confident | 4 Ų | 4 | 55.1 Ų | 55.1 | 4% | 0.041 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.3 | -45.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | L391 T411 F412 L418 L419 | L391-G415 VanDerWaalsContact CD2-C 3.49Å; T411-G415 PolarHBondContact O-N 3.37Å; F412-G415 PolarHBondContact O-N 2.86Å; G415-L418 PolarHBondContact O-N 3.5Å; G415-L419 WeakPolarHBondContact O-CG 3.48Å; G415-L419 PolarHBondContact O-N 2.85Å |
| 416 | E | 92 | Very high | 87.6 | Confident | 38 Ų | 38 | 53 Ų | 53 | 18% | 0.178 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.5 | -46.8 | 177.2 | -84.1 | -61.4 | 159.6 | 0 | 0 | 112.3 | C388 L391 L392 F412 V414 L418 L419 F420 | C388-E416 VanDerWaalsContact O-OE1 3.11Å; L391-E416 WeakPolarHBondContact CB-OE1 3.39Å; L391-E416 HydrophobicContact CD2-CB 4.5Å; L391-E416 HydrophobicContact CD2-CG 3.91Å; L391-E416 HydrophobicContact CG-CG 4.1Å; L391-E416 VanDerWaalsContact CG-OE1 3.29Å; L391-E416 WeakPolarHBondContact CG-OE1 3.37Å; L392-E416 WeakPolarHBondContact CA-OE1 3.49Å; L392-E416 PolarHBondContact N-OE1 3.03Å; F412-E416 WeakPolarHBondContact O-CB 3.42Å; F412-E416 WeakPolarHBondContact O-CG 3.44Å; F412-E416 PolarHBondContact O-N 2.91Å; V414-E416 PolarHBondContact O-N 3.12Å; E416-L418 VanDerWaalsContact C-N 3.31Å; E416-L418 PolarHBondContact O-N 2.88Å; E416-L419 PolarHBondContact O-N 3.2Å; E416-F420 WeakPolarHBondContact O-CB 3.45Å; E416-F420 PolarHBondContact O-N 3.19Å |
| 417 | I | 93.6 | Very high | 88.1 | Confident | 106 Ų | 106 | 49 Ų | 49 | 54% | 0.544 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.1 | -44.3 | 177.9 | -69.3 | 166.7 | 0 | 0 | 0 | 110.5 | G413 V414 F420 I421 | G413-I417 VanDerWaalsContact O-CG1 3.28Å; G413-I417 WeakPolarHBondContact O-CG1 3.17Å; G413-I417 PolarHBondContact O-N 3.35Å; G413-I417 VanDerWaalsContact O-N 3.08Å; V414-I417 PolarHBondContact O-N 2.87Å; I417-F420 PolarHBondContact O-N 3.2Å; I417-I421 HydrophobicContact CG2-CD1 3.94Å; I417-I421 VanDerWaalsContact O-CG1 3.26Å; I417-I421 WeakPolarHBondContact O-CG1 3.45Å; I417-I421 PolarHBondContact O-N 2.97Å |
| 418 | L | 93.1 | Very high | 88.5 | Confident | 81 Ų | 81 | 43.9 Ų | 43.9 | 42% | 0.424 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.9 | -42.9 | 179.4 | -68.3 | 173.5 | 0 | 0 | 0 | 112.2 | V414 G415 E416 I421 L422 I463 | V414-L418 HydrophobicContact CG1-CD1 4.04Å; V414-L418 WeakPolarHBondContact O-CG 3.31Å; V414-L418 PolarHBondContact O-N 3.47Å; V414-L418 VanDerWaalsContact O-N 3.07Å; G415-L418 PolarHBondContact O-N 3.5Å; E416-L418 VanDerWaalsContact C-N 3.31Å; E416-L418 PolarHBondContact O-N 2.88Å; L418-I421 PolarHBondContact O-N 3.3Å; L418-L422 WeakPolarHBondContact O-CG 3.32Å; L418-L422 PolarHBondContact O-N 3.4Å; L418-L422 VanDerWaalsContact O-N 3.09Å; L418-I463 HydrophobicContact CB-CD1 3.96Å; L418-I463 HydrophobicContact CB-CG2 4.32Å |
| 419 | L | 91.2 | Very high | 88.7 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.5 | -37.5 | 175.2 | -70.7 | -178.1 | 0 | 0 | 0 | 111.9 | C388 L391 G415 E416 I421 L422 T423 A460 I463 | C388-L419 VanDerWaalsContact SG-CB 3.56Å; L391-L419 HydrophobicContact CB-CD1 4.11Å; L391-L419 HydrophobicContact CD2-CD1 3.63Å; G415-L419 WeakPolarHBondContact O-CG 3.48Å; G415-L419 PolarHBondContact O-N 2.85Å; E416-L419 PolarHBondContact O-N 3.2Å; L419-I421 PolarHBondContact O-N 3.27Å; L419-L422 PolarHBondContact O-N 3.02Å; L419-T423 WeakPolarHBondContact O-CB 3.26Å; L419-T423 VanDerWaalsContact O-CG2 3.3Å; L419-T423 WeakPolarHBondContact O-CG2 3.47Å; L419-T423 PolarHBondContact O-N 3.23Å; L419-T423 PolarHBondContact O-OG1 3.15Å; L419-A460 HydrophobicContact CD2-CB 3.99Å; L419-A460 WeakPolarHBondContact CD2-O 3.4Å; L419-I463 HydrophobicContact CD2-CB 4Å; L419-I463 HydrophobicContact CD2-CD1 4.25Å; L419-I463 HydrophobicContact CD2-CG2 4.04Å; L419-I463 HydrophobicContact CG-CB 4.39Å; L419-I463 HydrophobicContact CG-CG2 3.86Å |
| 420 | F | 91.4 | Very high | 88.6 | Confident | 120 Ų | 120 | 44.1 Ų | 44.1 | 53% | 0.526 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.2 | -39.9 | 176.5 | -168.8 | -111.3 | 0 | 0 | 0 | 111.9 | E416 I417 T423 I424 | E416-F420 WeakPolarHBondContact O-CB 3.45Å; E416-F420 PolarHBondContact O-N 3.19Å; I417-F420 PolarHBondContact O-N 3.2Å; F420-T423 VanDerWaalsContact CA-OG1 3.28Å; F420-T423 WeakPolarHBondContact CA-OG1 3.25Å; F420-T423 PolarHBondContact O-N 3.49Å; F420-T423 PolarHBondContact O-OG1 2.94Å; F420-I424 HydrophobicContact CD1-CD1 3.63Å; F420-I424 HydrophobicContact CD1-CG1 4.5Å; F420-I424 HydrophobicContact CE1-CD1 3.24Å; F420-I424 HydrophobicContact CE1-CG1 4.28Å; F420-I424 HydrophobicContact CE2-CD1 4.32Å; F420-I424 HydrophobicContact CG-CD1 4.33Å; F420-I424 HydrophobicContact CZ-CD1 3.63Å; F420-I424 HydrophobicContact CZ-CG1 4.31Å; F420-I424 WeakPolarHBondContact O-CB 3.5Å; F420-I424 WeakPolarHBondContact O-CG1 3.17Å; F420-I424 PolarHBondContact O-N 3.31Å |
| 421 | I | 91.4 | Very high | 88.5 | Confident | 90 Ų | 90 | 44 Ų | 44 | 46% | 0.462 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.2 | -46 | 173.3 | -68.4 | 164 | 0 | 0 | 0 | 110.9 | I417 L418 L419 T423 C425 | I417-I421 HydrophobicContact CG2-CD1 3.94Å; I417-I421 VanDerWaalsContact O-CG1 3.26Å; I417-I421 WeakPolarHBondContact O-CG1 3.45Å; I417-I421 PolarHBondContact O-N 2.97Å; L418-I421 PolarHBondContact O-N 3.3Å; L419-I421 PolarHBondContact O-N 3.27Å; I421-T423 PolarHBondContact O-N 3.32Å; I421-C425 WeakPolarHBondContact O-CB 3.38Å; I421-C425 PolarHBondContact O-N 2.83Å; I421-C425 VanDerWaalsContact O-N 3.08Å; I421-C425 PolarHBondContact O-SG 3.41Å |
| 422 | L | 89.7 | Confident | 88.2 | Confident | 32 Ų | 32 | 46.7 Ų | 46.7 | 17% | 0.168 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.9 | -41.6 | 177.9 | -72.1 | 178.6 | 0 | 0 | 0 | 112.1 | L418 L419 C425 S426 A459 A460 I463 | L418-L422 WeakPolarHBondContact O-CG 3.32Å; L418-L422 PolarHBondContact O-N 3.4Å; L418-L422 VanDerWaalsContact O-N 3.09Å; L419-L422 PolarHBondContact O-N 3.02Å; L422-C425 PolarHBondContact O-N 3.46Å; L422-S426 PolarHBondContact O-N 3.04Å; L422-S426 PolarHBondContact O-OG 3.3Å; L422-A459 HydrophobicContact CD1-CB 4.21Å; L422-A460 HydrophobicContact CD1-CB 4.32Å; L422-I463 HydrophobicContact CD1-CD1 3.58Å |
| 423 | T | 88.5 | Confident | 87.9 | Confident | 10 Ų | 10 | 50.5 Ų | 50.5 | 6% | 0.061 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66 | -46.3 | 178.6 | 51.3 | 0 | 0 | 0 | 0 | 111.7 | F384 C388 L419 F420 I421 C425 S426 L427 | F384-T423 VanDerWaalsContact C-CG2 3.44Å; F384-T423 HydrophobicContact CB-CG2 3.76Å; F384-T423 VanDerWaalsContact O-CG2 3.26Å; F384-T423 WeakPolarHBondContact O-CG2 3.42Å; C388-T423 VanDerWaalsContact SG-CG2 3.55Å; L419-T423 WeakPolarHBondContact O-CB 3.26Å; L419-T423 VanDerWaalsContact O-CG2 3.3Å; L419-T423 WeakPolarHBondContact O-CG2 3.47Å; L419-T423 PolarHBondContact O-N 3.23Å; L419-T423 PolarHBondContact O-OG1 3.15Å; F420-T423 VanDerWaalsContact CA-OG1 3.28Å; F420-T423 WeakPolarHBondContact CA-OG1 3.25Å; F420-T423 PolarHBondContact O-N 3.49Å; F420-T423 PolarHBondContact O-OG1 2.94Å; I421-T423 PolarHBondContact O-N 3.32Å; T423-C425 VanDerWaalsContact C-N 3.32Å; T423-C425 PolarHBondContact O-N 3.48Å; T423-S426 CarbonylContact O-C 3.6Å; T423-S426 PolarHBondContact O-N 3.08Å; T423-S426 PolarHBondContact O-OG 3.28Å; T423-L427 VanDerWaalsContact O-CB 3.28Å; T423-L427 WeakPolarHBondContact O-CB 3.16Å; T423-L427 PolarHBondContact O-N 3.09Å |
| 424 | I | 89 | Confident | 87.7 | Confident | 50 Ų | 50 | 54.4 Ų | 54.4 | 26% | 0.256 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -57.4 | -45.6 | 175.3 | -73.4 | 173.5 | 0 | 0 | 0 | 111.3 | F420 S426 L427 A428 F435 L439 | F420-I424 HydrophobicContact CD1-CD1 3.63Å; F420-I424 HydrophobicContact CD1-CG1 4.5Å; F420-I424 HydrophobicContact CE1-CD1 3.24Å; F420-I424 HydrophobicContact CE1-CG1 4.28Å; F420-I424 HydrophobicContact CE2-CD1 4.32Å; F420-I424 HydrophobicContact CG-CD1 4.33Å; F420-I424 HydrophobicContact CZ-CD1 3.63Å; F420-I424 HydrophobicContact CZ-CG1 4.31Å; F420-I424 WeakPolarHBondContact O-CB 3.5Å; F420-I424 WeakPolarHBondContact O-CG1 3.17Å; F420-I424 PolarHBondContact O-N 3.31Å; I424-S426 PolarHBondContact O-N 3.39Å; I424-L427 PolarHBondContact O-N 3.19Å; I424-A428 PolarHBondContact O-N 2.94Å; I424-A428 VanDerWaalsContact O-N 3.08Å; I424-F435 HydrophobicContact CG2-CE1 3.9Å; I424-F435 HydrophobicContact CG2-CZ 4.42Å; I424-L439 HydrophobicContact CG2-CD2 4.22Å |
| 425 | C | 88.3 | Confident | 87.5 | Confident | 24 Ų | 24 | 53.2 Ų | 53.2 | 16% | 0.162 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.6 | -27.9 | 177.7 | -74.2 | 0 | 0 | 0 | 0 | 113.3 | I421 L422 T423 S443 | I421-C425 WeakPolarHBondContact O-CB 3.38Å; I421-C425 PolarHBondContact O-N 2.83Å; I421-C425 VanDerWaalsContact O-N 3.08Å; I421-C425 PolarHBondContact O-SG 3.41Å; L422-C425 PolarHBondContact O-N 3.46Å; T423-C425 VanDerWaalsContact C-N 3.32Å; T423-C425 PolarHBondContact O-N 3.48Å; C425-S443 WeakPolarHBondContact O-CA 3.33Å; C425-S443 WeakPolarHBondContact O-CB 3.47Å; C425-S443 PolarHBondContact O-OG 3.38Å; C425-S443 VanDerWaalsContact O-OG 3.13Å |
| 426 | S | 84.9 | Confident | 87.6 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -92.2 | -24.8 | 177.2 | 72.5 | 0 | 0 | 0 | 0 | 114.2 | G381 F384 L422 T423 I424 S443 | G381-S426 WeakPolarHBondContact CA-O 3.34Å; F384-S426 WeakPolarHBondContact CD2-OG 3.3Å; L422-S426 PolarHBondContact O-N 3.04Å; L422-S426 PolarHBondContact O-OG 3.3Å; T423-S426 CarbonylContact O-C 3.6Å; T423-S426 PolarHBondContact O-N 3.08Å; T423-S426 PolarHBondContact O-OG 3.28Å; I424-S426 PolarHBondContact O-N 3.39Å; S426-S443 PolarHBondContact O-OG 3.48Å |
| 427 | L | 86.8 | Confident | 87.4 | Confident | 40 Ų | 40 | 64.1 Ų | 64.1 | 21% | 0.209 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -88.9 | -20.1 | -176.2 | -163 | 74.5 | 0 | 0 | 0 | 112.3 | T423 I424 A429 I430 F431 | T423-L427 VanDerWaalsContact O-CB 3.28Å; T423-L427 WeakPolarHBondContact O-CB 3.16Å; T423-L427 PolarHBondContact O-N 3.09Å; I424-L427 PolarHBondContact O-N 3.19Å; L427-A429 PolarHBondContact O-N 2.85Å; L427-A429 VanDerWaalsContact O-N 3.13Å; L427-I430 HydrophobicContact CD1-CD1 3.68Å; L427-I430 HydrophobicContact CD1-CG1 4.38Å; L427-I430 WeakPolarHBondContact O-CB 3.41Å; L427-I430 PolarHBondContact O-N 2.69Å; L427-F431 HydrophobicContact CD2-CD2 4.46Å; L427-F431 HydrophobicContact CD2-CE2 4.23Å; L427-F431 HydrophobicContact CG-CD2 4.29Å; L427-F431 HydrophobicContact CG-CE2 4.22Å |
| 428 | A | 86 | Confident | 87.2 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -29.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | I424 I430 F431 F435 L439 | I424-A428 PolarHBondContact O-N 2.94Å; I424-A428 VanDerWaalsContact O-N 3.08Å; A428-I430 VanDerWaalsContact C-N 3.27Å; A428-I430 PolarHBondContact O-N 3.44Å; A428-F431 PolarHBondContact O-N 3.04Å; A428-F435 HydrophobicContact CB-CB 4.09Å; A428-F435 HydrophobicContact CB-CD2 4.02Å; A428-F435 HydrophobicContact CB-CG 3.96Å; A428-L439 HydrophobicContact CB-CD2 3.96Å; A428-L439 HydrophobicContact CB-CG 3.84Å |
| 429 | A | 82 | Confident | 87 | Confident | 26 Ų | 26 | 65.9 Ų | 65.9 | 22% | 0.215 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -26 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | L427 S443 I444 | L427-A429 PolarHBondContact O-N 2.85Å; L427-A429 VanDerWaalsContact O-N 3.13Å; A429-S443 VanDerWaalsContact CB-OG 3.22Å; A429-S443 WeakPolarHBondContact CB-OG 3.46Å; A429-S443 PolarHBondContact N-OG 3.07Å; A429-I444 HydrophobicContact CB-CG1 3.97Å |
| 430 | I | 81.9 | Confident | 86.8 | Confident | 52 Ų | 52 | 66.6 Ų | 66.6 | 27% | 0.267 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -32.6 | -178.4 | -55.6 | -171 | 0 | 0 | 0 | 111.4 | A382 L427 A428 P432 | A382-I430 HydrophobicContact CB-CD1 4.5Å; L427-I430 HydrophobicContact CD1-CD1 3.68Å; L427-I430 HydrophobicContact CD1-CG1 4.38Å; L427-I430 WeakPolarHBondContact O-CB 3.41Å; L427-I430 PolarHBondContact O-N 2.69Å; A428-I430 VanDerWaalsContact C-N 3.27Å; A428-I430 PolarHBondContact O-N 3.44Å; I430-P432 VanDerWaalsContact O-CD 3.23Å; I430-P432 WeakPolarHBondContact O-CD 3.46Å |
| 431 | F | 83.8 | Confident | 86.6 | Confident | 106 Ų | 106 | 64.3 Ų | 64.3 | 47% | 0.465 | 36% | 0.361 | S | S | . | . | trans | -120.4 | 66.6 | -176.9 | -58 | -75.7 | 0 | 0 | 0 | 111.5 | L427 A428 G433 V434 F435 | L427-F431 HydrophobicContact CD2-CD2 4.46Å; L427-F431 HydrophobicContact CD2-CE2 4.23Å; L427-F431 HydrophobicContact CG-CD2 4.29Å; L427-F431 HydrophobicContact CG-CE2 4.22Å; A428-F431 PolarHBondContact O-N 3.04Å; F431-G433 PolarHBondContact O-N 3.21Å; F431-V434 HydrophobicContact CB-CB 4.2Å; F431-V434 HydrophobicContact CB-CG2 4.13Å; F431-V434 PolarHBondContact O-N 3.29Å; F431-F435 HydrophobicContact CB-CD2 4.25Å; F431-F435 HydrophobicContact CB-CE2 4.26Å | ||
| 432 | P | 78.5 | Confident | 86.5 | Confident | 87 Ų | 87 | 64 Ų | 64 | 57% | 0.565 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -18.1 | -174.5 | 26.8 | -35.8 | 0 | 0 | 0 | 113.8 | I430 V440 | I430-P432 VanDerWaalsContact O-CD 3.23Å; I430-P432 WeakPolarHBondContact O-CD 3.46Å; P432-V440 HydrophobicContact CB-CG1 4.04Å |
| 433 | G | 81.6 | Confident | 86.4 | Confident | 80 Ų | 80 | 62.5 Ų | 62.5 | 83% | 0.825 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -15 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | F431 | F431-G433 PolarHBondContact O-N 3.21Š|
| 434 | V | 86.2 | Confident | 86.1 | Confident | 114 Ų | 114 | 65.7 Ų | 65.7 | 69% | 0.691 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | -28.1 | -175 | -178.8 | 0 | 0 | 0 | 0 | 111.9 | F431 | F431-V434 HydrophobicContact CB-CB 4.2Å; F431-V434 HydrophobicContact CB-CG2 4.13Å; F431-V434 PolarHBondContact O-N 3.29Å |
| 435 | F | 88.3 | Confident | 86 | Confident | 56 Ų | 56 | 69 Ų | 69 | 25% | 0.246 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -109.1 | 155.2 | -173 | -69.2 | -75.3 | 0 | 0 | 0 | 113.2 | I424 A428 F431 L439 V440 | I424-F435 HydrophobicContact CG2-CE1 3.9Å; I424-F435 HydrophobicContact CG2-CZ 4.42Å; A428-F435 HydrophobicContact CB-CB 4.09Å; A428-F435 HydrophobicContact CB-CD2 4.02Å; A428-F435 HydrophobicContact CB-CG 3.96Å; F431-F435 HydrophobicContact CB-CD2 4.25Å; F431-F435 HydrophobicContact CB-CE2 4.26Å; F435-L439 HydrophobicContact CB-CD2 4.29Å; F435-L439 HydrophobicContact CD1-CD2 3.81Å; F435-L439 HydrophobicContact CG-CD2 4.31Å; F435-V440 HydrophobicContact CB-CG2 3.96Å |
| 436 | P | 91.5 | Very high | 85.8 | Confident | 86 Ų | 86 | 67.9 Ų | 67.9 | 56% | 0.558 | 37% | 0.366 | S | S | * | . | trans | -64.9 | 142.8 | 179.2 | 25.1 | -32.8 | 0 | 0 | 0 | 111.9 | K438 L439 V440 | P436-K438 PolarHBondContact O-N 2.88Å; P436-L439 HydrophobicContact CG-CB 3.86Å; P436-L439 HydrophobicContact CG-CD2 4.46Å; P436-L439 WeakPolarHBondContact O-CB 3.5Å; P436-L439 PolarHBondContact O-N 3.07Å; P436-V440 PolarHBondContact O-N 3.36Å; P436-V440 VanDerWaalsContact O-N 3.09Å | ||
| 437 | K | 88.1 | Confident | 85.5 | Confident | 185 Ų | 185 | 69.5 Ų | 69.5 | 80% | 0.804 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -52.8 | -32.8 | -175.2 | -64.5 | -176.4 | 179.9 | 179.3 | 0 | 114.4 | S441 | K437-S441 WeakPolarHBondContact O-CB 3.18Å; K437-S441 PolarHBondContact O-N 2.9Å; K437-S441 PolarHBondContact O-OG 3.39Å |
| 438 | K | 89.3 | Confident | 84.9 | Confident | 183 Ų | 183 | 74.7 Ų | 74.7 | 80% | 0.796 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -67.2 | -41.7 | 176.8 | -65.6 | -69.7 | -174.8 | 176.4 | 0 | 112.2 | P436 S441 F442 | P436-K438 PolarHBondContact O-N 2.88Å; K438-S441 PolarHBondContact O-N 2.82Å; K438-F442 WeakPolarHBondContact O-CB 3.28Å; K438-F442 PolarHBondContact O-N 3.47Å; K438-F442 VanDerWaalsContact O-N 3.07Å |
| 439 | L | 87.9 | Confident | 84.7 | Confident | 42 Ų | 42 | 76.7 Ų | 76.7 | 22% | 0.22 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -70.8 | -40.1 | 177.8 | -171.7 | 69 | 0 | 0 | 0 | 111.3 | I424 A428 F435 P436 S441 F442 S443 | I424-L439 HydrophobicContact CG2-CD2 4.22Å; A428-L439 HydrophobicContact CB-CD2 3.96Å; A428-L439 HydrophobicContact CB-CG 3.84Å; F435-L439 HydrophobicContact CB-CD2 4.29Å; F435-L439 HydrophobicContact CD1-CD2 3.81Å; F435-L439 HydrophobicContact CG-CD2 4.31Å; P436-L439 HydrophobicContact CG-CB 3.86Å; P436-L439 HydrophobicContact CG-CD2 4.46Å; P436-L439 WeakPolarHBondContact O-CB 3.5Å; P436-L439 PolarHBondContact O-N 3.07Å; L439-S441 PolarHBondContact O-N 3.12Å; L439-F442 PolarHBondContact O-N 3.29Å; L439-S443 WeakPolarHBondContact O-CB 3.35Å; L439-S443 PolarHBondContact O-N 3.35Å |
| 440 | V | 88.2 | Confident | 84.4 | Confident | 15 Ų | 15 | 79.9 Ų | 79.9 | 9% | 0.091 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -61 | -45.1 | 174.3 | 178.4 | 0 | 0 | 0 | 0 | 110.8 | P432 F435 P436 F442 S443 I444 | P432-V440 HydrophobicContact CB-CG1 4.04Å; F435-V440 HydrophobicContact CB-CG2 3.96Å; P436-V440 PolarHBondContact O-N 3.36Å; P436-V440 VanDerWaalsContact O-N 3.09Å; V440-F442 VanDerWaalsContact C-N 3.32Å; V440-F442 PolarHBondContact O-N 2.84Å; V440-S443 PolarHBondContact O-N 3.38Å; V440-I444 HydrophobicContact CG1-CD1 3.88Å; V440-I444 VanDerWaalsContact O-CG1 3.24Å; V440-I444 WeakPolarHBondContact O-CG1 3.11Å; V440-I444 PolarHBondContact O-N 2.93Å |
| 441 | S | 86.8 | Confident | 84.4 | Confident | 73 Ų | 73 | 87.1 Ų | 87.1 | 51% | 0.51 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.6 | -39.4 | 177.4 | -56.7 | 0 | 0 | 0 | 0 | 112.2 | K437 K438 L439 I444 W445 | K437-S441 WeakPolarHBondContact O-CB 3.18Å; K437-S441 PolarHBondContact O-N 2.9Å; K437-S441 PolarHBondContact O-OG 3.39Å; K438-S441 PolarHBondContact O-N 2.82Å; L439-S441 PolarHBondContact O-N 3.12Å; S441-I444 PolarHBondContact O-N 3.37Å; S441-W445 PolarHBondContact O-N 3.38Å |
| 442 | F | 88.4 | Confident | 84.5 | Confident | 84 Ų | 84 | 82.1 Ų | 82.1 | 37% | 0.368 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -67.2 | -43.3 | 176.2 | -176.4 | -111.7 | 0 | 0 | 0 | 112.3 | K438 L439 V440 I444 W445 I446 W456 | K438-F442 WeakPolarHBondContact O-CB 3.28Å; K438-F442 PolarHBondContact O-N 3.47Å; K438-F442 VanDerWaalsContact O-N 3.07Å; L439-F442 PolarHBondContact O-N 3.29Å; V440-F442 VanDerWaalsContact C-N 3.32Å; V440-F442 PolarHBondContact O-N 2.84Å; F442-I444 VanDerWaalsContact C-N 3.35Å; F442-I444 PolarHBondContact O-N 3.41Å; F442-W445 HydrophobicContact CD2-CE3 4.41Å; F442-W445 HydrophobicContact CE2-CE3 4.15Å; F442-W445 HydrophobicContact CE2-CZ3 4.28Å; F442-W445 WeakPolarHBondContact O-CB 3.27Å; F442-W445 PolarHBondContact O-N 3.34Å; F442-I446 HydrophobicContact CD1-CD1 3.8Å; F442-I446 HydrophobicContact CE1-CD1 3.51Å; F442-I446 HydrophobicContact CE1-CG1 4.36Å; F442-I446 HydrophobicContact CZ-CD1 4Å; F442-I446 HydrophobicContact CZ-CG1 4.44Å; F442-I446 WeakPolarHBondContact O-CG1 3.44Å; F442-I446 PolarHBondContact O-N 3.4Å; F442-W456 AromaticContact CE1-CZ2 3.98Å; F442-W456 HydrophobicContact CE1-CZ2 3.98Å; F442-W456 HydrophobicContact CZ-CH2 4.02Å; F442-W456 AromaticContact CZ-CZ2 3.72Å; F442-W456 HydrophobicContact CZ-CZ2 3.72Å |
| 443 | S | 87.8 | Confident | 84.6 | Confident | 0 Ų | 0 | 78.5 Ų | 78.5 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -60.3 | -42.7 | 174.3 | -173 | 0 | 0 | 0 | 0 | 111.9 | C425 S426 A429 L439 V440 W445 I446 D447 | C425-S443 WeakPolarHBondContact O-CA 3.33Å; C425-S443 WeakPolarHBondContact O-CB 3.47Å; C425-S443 PolarHBondContact O-OG 3.38Å; C425-S443 VanDerWaalsContact O-OG 3.13Å; S426-S443 PolarHBondContact O-OG 3.48Å; A429-S443 VanDerWaalsContact CB-OG 3.22Å; A429-S443 WeakPolarHBondContact CB-OG 3.46Å; A429-S443 PolarHBondContact N-OG 3.07Å; L439-S443 WeakPolarHBondContact O-CB 3.35Å; L439-S443 PolarHBondContact O-N 3.35Å; V440-S443 PolarHBondContact O-N 3.38Å; S443-W445 VanDerWaalsContact C-N 3.32Å; S443-W445 PolarHBondContact O-N 3.04Å; S443-I446 PolarHBondContact O-N 2.87Å; S443-D447 PolarHBondContact O-N 3.14Å |
| 444 | I | 83.2 | Confident | 84.7 | Confident | 76 Ų | 76 | 75.9 Ų | 75.9 | 39% | 0.39 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.3 | -40.2 | 175.3 | -69.5 | 167.2 | 0 | 0 | 0 | 110.9 | A429 V440 S441 F442 D447 H448 | A429-I444 HydrophobicContact CB-CG1 3.97Å; V440-I444 HydrophobicContact CG1-CD1 3.88Å; V440-I444 VanDerWaalsContact O-CG1 3.24Å; V440-I444 WeakPolarHBondContact O-CG1 3.11Å; V440-I444 PolarHBondContact O-N 2.93Å; S441-I444 PolarHBondContact O-N 3.37Å; F442-I444 VanDerWaalsContact C-N 3.35Å; F442-I444 PolarHBondContact O-N 3.41Å; I444-D447 PolarHBondContact O-N 3.14Å; I444-H448 PolarHBondContact O-CD2 3.45Å; I444-H448 PolarHBondContact O-N 3.15Å |
| 445 | W | 86.1 | Confident | 84.8 | Confident | 121 Ų | 121 | 73 Ų | 73 | 46% | 0.458 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.2 | -43.1 | 175.5 | 176.3 | 85.5 | 0 | 0 | 0 | 112.2 | S441 F442 S443 D447 H448 T449 A452 | S441-W445 PolarHBondContact O-N 3.38Å; F442-W445 HydrophobicContact CD2-CE3 4.41Å; F442-W445 HydrophobicContact CE2-CE3 4.15Å; F442-W445 HydrophobicContact CE2-CZ3 4.28Å; F442-W445 WeakPolarHBondContact O-CB 3.27Å; F442-W445 PolarHBondContact O-N 3.34Å; S443-W445 VanDerWaalsContact C-N 3.32Å; S443-W445 PolarHBondContact O-N 3.04Å; W445-D447 VanDerWaalsContact C-N 3.3Å; W445-D447 PolarHBondContact O-N 2.96Å; W445-H448 PolarHBondContact O-N 2.91Å; W445-T449 HydrophobicContact CD2-CG2 4.45Å; W445-T449 HydrophobicContact CZ2-CG2 4.36Å; W445-T449 WeakPolarHBondContact O-CB 3.34Å; W445-T449 PolarHBondContact O-N 3.39Å; W445-T449 PolarHBondContact O-OG1 2.79Å; W445-A452 HydrophobicContact CE3-CB 4.26Å; W445-A452 HydrophobicContact CH2-CB 3.69Å; W445-A452 HydrophobicContact CZ2-CB 4.46Å; W445-A452 HydrophobicContact CZ3-CB 3.56Å |
| 446 | I | 84.5 | Confident | 84.8 | Confident | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58.9 | -43.8 | 174.7 | -66.8 | 165.6 | 0 | 0 | 0 | 110.4 | F442 S443 W456 | F442-I446 HydrophobicContact CD1-CD1 3.8Å; F442-I446 HydrophobicContact CE1-CD1 3.51Å; F442-I446 HydrophobicContact CE1-CG1 4.36Å; F442-I446 HydrophobicContact CZ-CD1 4Å; F442-I446 HydrophobicContact CZ-CG1 4.44Å; F442-I446 WeakPolarHBondContact O-CG1 3.44Å; F442-I446 PolarHBondContact O-N 3.4Å; S443-I446 PolarHBondContact O-N 2.87Å; I446-W456 HydrophobicContact CD1-CD2 4.33Å; I446-W456 HydrophobicContact CD1-CZ2 3.72Å; I446-W456 HydrophobicContact CG1-CZ2 4.24Å; I446-W456 HydrophobicContact CG2-CD2 4.47Å; I446-W456 HydrophobicContact CG2-CG 4.32Å |
| 447 | D | 77.9 | Confident | 84.5 | Confident | 34 Ų | 34 | 68.8 Ų | 68.8 | 18% | 0.182 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.7 | -40.8 | -179.4 | -78.7 | -27.3 | 0 | 0 | 0 | 112.8 | S380 S443 I444 W445 R453 | S380-D447 WeakPolarHBondContact CB-OD1 3.45Å; S380-D447 PolarHBondContact OG-OD1 3.12Å; S380-D447 PolarHBondContact OG-OD2 3.03Å; S443-D447 PolarHBondContact O-N 3.14Å; I444-D447 PolarHBondContact O-N 3.14Å; W445-D447 VanDerWaalsContact C-N 3.3Å; W445-D447 PolarHBondContact O-N 2.96Å; D447-R453 PolarHBondContact O-NH1 2.84Å |
| 448 | H | 75.1 | Confident | 84.6 | Confident | 148 Ų | 148 | 63.7 Ų | 63.7 | 69% | 0.685 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -75.2 | -32.1 | 179.9 | -87.5 | -77.2 | 0 | 0 | 0 | 113.5 | I444 W445 | I444-H448 PolarHBondContact O-CD2 3.45Å; I444-H448 PolarHBondContact O-N 3.15Å; W445-H448 PolarHBondContact O-N 2.91Å |
| 449 | T | 81.1 | Confident | 84.7 | Confident | 43 Ų | 43 | 56.7 Ų | 56.7 | 26% | 0.264 | 27% | 0.272 | S | S | . | . | trans | -93.2 | 116.4 | -174 | 53.3 | 0 | 0 | 0 | 0 | 112.6 | W445 W451 A452 R453 | W445-T449 HydrophobicContact CD2-CG2 4.45Å; W445-T449 HydrophobicContact CZ2-CG2 4.36Å; W445-T449 WeakPolarHBondContact O-CB 3.34Å; W445-T449 PolarHBondContact O-N 3.39Å; W445-T449 PolarHBondContact O-OG1 2.79Å; T449-W451 VanDerWaalsContact C-N 3.35Å; T449-W451 PolarHBondContact O-N 2.94Å; T449-A452 PolarHBondContact O-N 3.31Å; T449-A452 WeakPolarHBondContact OG1-CB 3.26Å; T449-R453 PolarHBondContact O-N 3.01Å; T449-R453 VanDerWaalsContact O-N 3.07Å | ||
| 450 | R | 76.2 | Confident | 84.7 | Confident | 92 Ų | 92 | 54.8 Ų | 54.8 | 35% | 0.347 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58.9 | -42.8 | -177 | -177.9 | 178.2 | -178.3 | 163.6 | 2.6 | 113.2 | N454 | R450-N454 WeakPolarHBondContact O-CB 3.32Å; R450-N454 VanDerWaalsContact O-CG 3.28Å; R450-N454 PolarHBondContact O-N 3.02Å; R450-N454 VanDerWaalsContact O-N 3.12Å |
| 451 | W | 82.4 | Confident | 84.8 | Confident | 204 Ų | 204 | 54.2 Ų | 54.2 | 77% | 0.773 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -67.7 | -45.5 | -179.1 | 179.8 | 67.8 | 0 | 0 | 0 | 111.3 | T449 R453 N454 T455 | T449-W451 VanDerWaalsContact C-N 3.35Å; T449-W451 PolarHBondContact O-N 2.94Å; W451-R453 PolarHBondContact O-N 3.32Å; W451-N454 PolarHBondContact O-N 3Å; W451-T455 PolarHBondContact O-N 3.44Å; W451-T455 PolarHBondContact O-OG1 2.77Å |
| 452 | A | 84.8 | Confident | 85 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.008 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.3 | -48.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | W445 T449 N454 T455 W456 | W445-A452 HydrophobicContact CE3-CB 4.26Å; W445-A452 HydrophobicContact CH2-CB 3.69Å; W445-A452 HydrophobicContact CZ2-CB 4.46Å; W445-A452 HydrophobicContact CZ3-CB 3.56Å; T449-A452 PolarHBondContact O-N 3.31Å; T449-A452 WeakPolarHBondContact OG1-CB 3.26Å; A452-N454 VanDerWaalsContact C-N 3.32Å; A452-N454 PolarHBondContact O-N 3.36Å; A452-T455 WeakPolarHBondContact O-CB 3.29Å; A452-T455 PolarHBondContact O-N 3.15Å; A452-T455 VanDerWaalsContact O-N 3.11Å; A452-W456 HydrophobicContact CB-CE3 4.48Å; A452-W456 HydrophobicContact CB-CZ3 4.39Å; A452-W456 PolarHBondContact O-N 3.43Å |
| 453 | R | 80.9 | Confident | 85.2 | Confident | 11 Ų | 11 | 53.2 Ų | 53.2 | 4% | 0.042 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.3 | -42.3 | 176.9 | -175.6 | 178.7 | 58.3 | -113.4 | -7.1 | 113 | D447 T449 W451 T455 W456 A457 | D447-R453 PolarHBondContact O-NH1 2.84Å; T449-R453 PolarHBondContact O-N 3.01Å; T449-R453 VanDerWaalsContact O-N 3.07Å; W451-R453 PolarHBondContact O-N 3.32Å; R453-T455 VanDerWaalsContact C-N 3.34Å; R453-W456 PolarHBondContact O-N 3.48Å; R453-A457 WeakPolarHBondContact O-CB 3.35Å; R453-A457 PolarHBondContact O-N 3.04Å |
| 454 | N | 84.8 | Confident | 85.3 | Confident | 26 Ų | 26 | 53.2 Ų | 53.2 | 14% | 0.139 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.8 | -42 | 176.7 | -77.7 | 1.4 | 0 | 0 | 0 | 111.1 | R450 W451 A452 A457 I458 | R450-N454 WeakPolarHBondContact O-CB 3.32Å; R450-N454 VanDerWaalsContact O-CG 3.28Å; R450-N454 PolarHBondContact O-N 3.02Å; R450-N454 VanDerWaalsContact O-N 3.12Å; W451-N454 PolarHBondContact O-N 3Å; A452-N454 VanDerWaalsContact C-N 3.32Å; A452-N454 PolarHBondContact O-N 3.36Å; N454-A457 PolarHBondContact O-N 2.95Å; N454-I458 WeakPolarHBondContact O-CB 3.39Å; N454-I458 WeakPolarHBondContact O-CD1 3.42Å; N454-I458 WeakPolarHBondContact O-CG1 3.02Å; N454-I458 PolarHBondContact O-N 3.37Å |
| 455 | T | 88.4 | Confident | 85.6 | Confident | 54 Ų | 54 | 50.1 Ų | 50.1 | 33% | 0.331 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.7 | -41.7 | 176.1 | -56.2 | 0 | 0 | 0 | 0 | 111.6 | W451 A452 R453 I458 A459 | W451-T455 PolarHBondContact O-N 3.44Å; W451-T455 PolarHBondContact O-OG1 2.77Å; A452-T455 WeakPolarHBondContact O-CB 3.29Å; A452-T455 PolarHBondContact O-N 3.15Å; A452-T455 VanDerWaalsContact O-N 3.11Å; R453-T455 VanDerWaalsContact C-N 3.34Å; T455-I458 PolarHBondContact O-N 2.82Å; T455-A459 WeakPolarHBondContact O-CB 3.28Å; T455-A459 PolarHBondContact O-N 3.5Å |
| 456 | W | 88 | Confident | 85.8 | Confident | 53 Ų | 53 | 48 Ų | 48 | 20% | 0.201 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.2 | -40.8 | 176.1 | -97.1 | -115.8 | 0 | 0 | 0 | 112.5 | F384 F442 I446 A452 R453 A459 A460 | F384-W456 HydrophobicContact CE1-CB 4.44Å; F384-W456 HydrophobicContact CZ-CB 4.46Å; F442-W456 AromaticContact CE1-CZ2 3.98Å; F442-W456 HydrophobicContact CE1-CZ2 3.98Å; F442-W456 HydrophobicContact CZ-CH2 4.02Å; F442-W456 AromaticContact CZ-CZ2 3.72Å; F442-W456 HydrophobicContact CZ-CZ2 3.72Å; I446-W456 HydrophobicContact CD1-CD2 4.33Å; I446-W456 HydrophobicContact CD1-CZ2 3.72Å; I446-W456 HydrophobicContact CG1-CZ2 4.24Å; I446-W456 HydrophobicContact CG2-CD2 4.47Å; I446-W456 HydrophobicContact CG2-CG 4.32Å; A452-W456 HydrophobicContact CB-CE3 4.48Å; A452-W456 HydrophobicContact CB-CZ3 4.39Å; A452-W456 PolarHBondContact O-N 3.43Å; R453-W456 PolarHBondContact O-N 3.48Å; W456-A459 PolarHBondContact O-N 2.96Å; W456-A460 WeakPolarHBondContact O-CB 3.48Å; W456-A460 PolarHBondContact O-N 3.48Å |
| 457 | A | 85.2 | Confident | 86 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.7 | -43.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | F384 R453 N454 I461 L523 V526 | F384-A457 HydrophobicContact CE1-CB 4.15Å; R453-A457 WeakPolarHBondContact O-CB 3.35Å; R453-A457 PolarHBondContact O-N 3.04Å; N454-A457 PolarHBondContact O-N 2.95Å; A457-I461 WeakPolarHBondContact O-CG1 3.39Å; A457-I461 PolarHBondContact O-N 2.85Å; A457-I461 VanDerWaalsContact O-N 3.14Å; A457-L523 HydrophobicContact CB-CD1 4.08Å; A457-V526 HydrophobicContact CB-CG2 3.59Å |
| 458 | I | 89.1 | Confident | 86.3 | Confident | 77 Ų | 77 | 47 Ų | 47 | 40% | 0.395 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.7 | -43.7 | 175.6 | -67.2 | 163.1 | 0 | 0 | 0 | 110.1 | N454 T455 I461 F462 V530 L534 | N454-I458 WeakPolarHBondContact O-CB 3.39Å; N454-I458 WeakPolarHBondContact O-CD1 3.42Å; N454-I458 WeakPolarHBondContact O-CG1 3.02Å; N454-I458 PolarHBondContact O-N 3.37Å; T455-I458 PolarHBondContact O-N 2.82Å; I458-I461 PolarHBondContact O-N 2.81Å; I458-F462 WeakPolarHBondContact O-CB 3.43Å; I458-F462 PolarHBondContact O-N 3.37Å; I458-V530 HydrophobicContact CG1-CG1 4.43Å; I458-L534 HydrophobicContact CG1-CD1 4.36Å; I458-L534 HydrophobicContact CG1-CD2 4.25Å; I458-L534 HydrophobicContact CG2-CD2 4.39Å |
| 459 | A | 91 | Very high | 86.9 | Confident | 36 Ų | 36 | 40.9 Ų | 40.9 | 30% | 0.298 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -62.1 | -44.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L422 T455 W456 F462 I463 | L422-A459 HydrophobicContact CD1-CB 4.21Å; T455-A459 WeakPolarHBondContact O-CB 3.28Å; T455-A459 PolarHBondContact O-N 3.5Å; W456-A459 PolarHBondContact O-N 2.96Å; A459-F462 PolarHBondContact O-N 3.13Å; A459-I463 WeakPolarHBondContact O-CD1 3.28Å; A459-I463 VanDerWaalsContact O-CG1 3.3Å; A459-I463 WeakPolarHBondContact O-CG1 3.42Å; A459-I463 PolarHBondContact O-N 2.76Å |
| 460 | A | 89.6 | Confident | 87.1 | Confident | 2 Ų | 2 | 42.9 Ų | 42.9 | 2% | 0.017 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63 | -44.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F384 L419 L422 W456 L464 | F384-A460 HydrophobicContact CD1-CB 4.35Å; L419-A460 HydrophobicContact CD2-CB 3.99Å; L419-A460 WeakPolarHBondContact CD2-O 3.4Å; L422-A460 HydrophobicContact CD1-CB 4.32Å; W456-A460 WeakPolarHBondContact O-CB 3.48Å; W456-A460 PolarHBondContact O-N 3.48Å; A460-L464 PolarHBondContact O-N 3.1Å; A460-L464 VanDerWaalsContact O-N 3.16Å |
| 461 | I | 90.4 | Very high | 87.3 | Confident | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.015 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68.5 | -39.6 | 176.5 | -63.5 | -58.1 | 0 | 0 | 0 | 110.9 | A457 I458 I463 L464 T465 A519 T520 L523 L534 I538 | A457-I461 WeakPolarHBondContact O-CG1 3.39Å; A457-I461 PolarHBondContact O-N 2.85Å; A457-I461 VanDerWaalsContact O-N 3.14Å; I458-I461 PolarHBondContact O-N 2.81Å; I461-I463 PolarHBondContact O-N 2.69Å; I461-L464 PolarHBondContact O-N 3.03Å; I461-T465 HydrophobicContact CG2-CG2 3.92Å; I461-T465 WeakPolarHBondContact O-CB 3.49Å; I461-T465 WeakPolarHBondContact O-CG2 3Å; I461-T465 PolarHBondContact O-N 2.93Å; I461-T465 PolarHBondContact O-OG1 3.19Å; I461-T465 VanDerWaalsContact O-OG1 3.07Å; I461-A519 HydrophobicContact CD1-CB 4.28Å; I461-T520 HydrophobicContact CD1-CG2 3.76Å; I461-T520 HydrophobicContact CG1-CG2 4.04Å; I461-T520 HydrophobicContact CG2-CG2 3.87Å; I461-L523 HydrophobicContact CD1-CD1 4.04Å; I461-L523 HydrophobicContact CG1-CD1 3.76Å; I461-L534 HydrophobicContact CB-CD1 4.44Å; I461-L534 HydrophobicContact CG1-CD1 4.3Å; I461-L534 HydrophobicContact CG2-CB 4.49Å; I461-L534 HydrophobicContact CG2-CD2 4.26Å; I461-I538 HydrophobicContact CG2-CD1 3.9Å |
| 462 | F | 90.8 | Very high | 87.3 | Confident | 106 Ų | 106 | 29 Ų | 29 | 47% | 0.465 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -57.9 | -47.9 | 176.7 | 179.8 | -96.9 | 0 | 0 | 0 | 111.9 | I458 A459 L464 T465 M466 | I458-F462 WeakPolarHBondContact O-CB 3.43Å; I458-F462 PolarHBondContact O-N 3.37Å; A459-F462 PolarHBondContact O-N 3.13Å; F462-L464 PolarHBondContact O-N 3.37Å; F462-T465 WeakPolarHBondContact CA-OG1 3.47Å; F462-T465 PolarHBondContact O-N 3.07Å; F462-T465 PolarHBondContact O-OG1 3.37Å; F462-M466 HydrophobicContact CD1-CG 4.18Å; F462-M466 HydrophobicContact CD2-CE 4.23Å; F462-M466 HydrophobicContact CD2-CG 4.29Å; F462-M466 HydrophobicContact CE1-CG 3.79Å; F462-M466 HydrophobicContact CE2-CE 3.33Å; F462-M466 HydrophobicContact CE2-CG 3.93Å; F462-M466 HydrophobicContact CE2-SD 4.47Å; F462-M466 HydrophobicContact CG-CG 4.42Å; F462-M466 HydrophobicContact CZ-CE 3.56Å; F462-M466 HydrophobicContact CZ-CG 3.67Å; F462-M466 HydrophobicContact CZ-SD 4.32Å; F462-M466 WeakPolarHBondContact O-CB 3.41Å; F462-M466 WeakPolarHBondContact O-CG 3.47Å; F462-M466 PolarHBondContact O-N 2.96Å |
| 463 | I | 92.1 | Very high | 87.1 | Confident | 30 Ų | 30 | 33.1 Ų | 33.1 | 15% | 0.154 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.3 | -47.5 | 177.4 | -67.3 | 158.8 | 0 | 0 | 0 | 110.9 | L418 L419 L422 A459 I461 T465 M466 A467 | L418-I463 HydrophobicContact CB-CD1 3.96Å; L418-I463 HydrophobicContact CB-CG2 4.32Å; L419-I463 HydrophobicContact CD2-CB 4Å; L419-I463 HydrophobicContact CD2-CD1 4.25Å; L419-I463 HydrophobicContact CD2-CG2 4.04Å; L419-I463 HydrophobicContact CG-CB 4.39Å; L419-I463 HydrophobicContact CG-CG2 3.86Å; L422-I463 HydrophobicContact CD1-CD1 3.58Å; A459-I463 WeakPolarHBondContact O-CD1 3.28Å; A459-I463 VanDerWaalsContact O-CG1 3.3Å; A459-I463 WeakPolarHBondContact O-CG1 3.42Å; A459-I463 PolarHBondContact O-N 2.76Å; I461-I463 PolarHBondContact O-N 2.69Å; I463-T465 PolarHBondContact O-N 2.93Å; I463-M466 PolarHBondContact O-N 3.31Å; I463-A467 WeakPolarHBondContact O-CB 3.34Å; I463-A467 PolarHBondContact O-N 3.5Å |
| 464 | L | 90.2 | Very high | 87 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.1 | -50.2 | 177.1 | 179.7 | 66.3 | 0 | 0 | 0 | 111 | V390 L391 A460 I461 F462 M466 A467 D468 A516 A519 | V390-L464 HydrophobicContact CG1-CD1 4.14Å; V390-L464 HydrophobicContact CG1-CD2 4.3Å; L391-L464 HydrophobicContact CB-CD1 3.84Å; L391-L464 HydrophobicContact CD1-CD1 4.04Å; L391-L464 HydrophobicContact CG-CD1 4.47Å; A460-L464 PolarHBondContact O-N 3.1Å; A460-L464 VanDerWaalsContact O-N 3.16Å; I461-L464 PolarHBondContact O-N 3.03Å; F462-L464 PolarHBondContact O-N 3.37Å; L464-M466 VanDerWaalsContact C-N 3.34Å; L464-M466 PolarHBondContact O-N 3.42Å; L464-A467 PolarHBondContact O-N 3.29Å; L464-D468 VanDerWaalsContact O-CG 3.29Å; L464-D468 PolarHBondContact O-N 2.63Å; L464-A516 HydrophobicContact CD2-CB 4.2Å; L464-A519 HydrophobicContact CD2-CB 3.66Å |
| 465 | T | 88.8 | Confident | 86.3 | Confident | 12 Ų | 12 | 33.1 Ų | 33.1 | 7% | 0.074 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68.9 | -32.2 | -176.8 | 59.8 | 0 | 0 | 0 | 0 | 113.1 | I461 F462 I463 L469 I538 | I461-T465 HydrophobicContact CG2-CG2 3.92Å; I461-T465 WeakPolarHBondContact O-CB 3.49Å; I461-T465 WeakPolarHBondContact O-CG2 3Å; I461-T465 PolarHBondContact O-N 2.93Å; I461-T465 PolarHBondContact O-OG1 3.19Å; I461-T465 VanDerWaalsContact O-OG1 3.07Å; F462-T465 WeakPolarHBondContact CA-OG1 3.47Å; F462-T465 PolarHBondContact O-N 3.07Å; F462-T465 PolarHBondContact O-OG1 3.37Å; I463-T465 PolarHBondContact O-N 2.93Å; T465-L469 WeakPolarHBondContact O-CB 3.35Å; T465-L469 WeakPolarHBondContact O-CD1 3.14Å; T465-L469 WeakPolarHBondContact O-CG 3.26Å; T465-L469 PolarHBondContact O-N 3.17Å; T465-I538 HydrophobicContact CG2-CD1 3.62Å; T465-I538 HydrophobicContact CG2-CG1 3.41Å; T465-I538 VanDerWaalsContact CG2-CG1 3.41Å |
| 466 | M | 89.6 | Confident | 85.1 | Confident | 76 Ų | 76 | 35.6 Ų | 35.6 | 37% | 0.374 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -72.9 | -37.2 | 175.9 | -77 | -63.1 | 170.8 | 0 | 0 | 111.4 | F462 I463 L464 L469 L470 | F462-M466 HydrophobicContact CD1-CG 4.18Å; F462-M466 HydrophobicContact CD2-CE 4.23Å; F462-M466 HydrophobicContact CD2-CG 4.29Å; F462-M466 HydrophobicContact CE1-CG 3.79Å; F462-M466 HydrophobicContact CE2-CE 3.33Å; F462-M466 HydrophobicContact CE2-CG 3.93Å; F462-M466 HydrophobicContact CE2-SD 4.47Å; F462-M466 HydrophobicContact CG-CG 4.42Å; F462-M466 HydrophobicContact CZ-CE 3.56Å; F462-M466 HydrophobicContact CZ-CG 3.67Å; F462-M466 HydrophobicContact CZ-SD 4.32Å; F462-M466 WeakPolarHBondContact O-CB 3.41Å; F462-M466 WeakPolarHBondContact O-CG 3.47Å; F462-M466 PolarHBondContact O-N 2.96Å; I463-M466 PolarHBondContact O-N 3.31Å; L464-M466 VanDerWaalsContact C-N 3.34Å; L464-M466 PolarHBondContact O-N 3.42Å; M466-L469 HydrophobicContact CE-CD1 4.5Å; M466-L469 PolarHBondContact O-N 3.34Å; M466-L469 HydrophobicContact SD-CD1 4.14Å; M466-L470 WeakPolarHBondContact O-CB 3.38Å; M466-L470 WeakPolarHBondContact O-CG 3.16Å; M466-L470 PolarHBondContact O-N 2.91Å |
| 467 | A | 88.8 | Confident | 83.8 | Confident | 6 Ų | 6 | 36.3 Ų | 36.3 | 5% | 0.05 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.9 | -47.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | L391 F412 I463 L464 L469 L470 D471 | L391-A467 HydrophobicContact CD1-CB 3.95Å; F412-A467 HydrophobicContact CD1-CB 4.06Å; F412-A467 HydrophobicContact CE1-CB 4.15Å; I463-A467 WeakPolarHBondContact O-CB 3.34Å; I463-A467 PolarHBondContact O-N 3.5Å; L464-A467 PolarHBondContact O-N 3.29Å; A467-L469 PolarHBondContact O-N 2.85Å; A467-L470 PolarHBondContact O-N 3.09Å; A467-D471 VanDerWaalsContact O-CB 3.3Å; A467-D471 WeakPolarHBondContact O-CB 3.04Å; A467-D471 PolarHBondContact O-N 3.35Å |
| 468 | D | 85.2 | Confident | 82.1 | Confident | 7 Ų | 7 | 44.7 Ų | 44.7 | 4% | 0.037 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.1 | -37.5 | 177.3 | -62.5 | -20.4 | 0 | 0 | 0 | 112.7 | L464 M472 I512 A516 | L464-D468 VanDerWaalsContact O-CG 3.29Å; L464-D468 PolarHBondContact O-N 2.63Å; D468-M472 WeakPolarHBondContact O-CE 3.28Å; D468-M472 WeakPolarHBondContact O-CG 3.42Å; D468-M472 PolarHBondContact O-N 3.14Å; D468-M472 VanDerWaalsContact O-N 3.1Å; D468-I512 HydrophobicContact CB-CG2 4.45Å; D468-A516 WeakPolarHBondContact OD2-CB 3.14Å |
| 469 | L | 86.8 | Confident | 80.1 | Confident | 19 Ų | 19 | 47 Ų | 47 | 10% | 0.099 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -70.1 | -41.9 | 177.3 | -75.4 | 167.2 | 0 | 0 | 0 | 112.2 | T465 M466 A467 D471 M472 L473 T541 V545 | T465-L469 WeakPolarHBondContact O-CB 3.35Å; T465-L469 WeakPolarHBondContact O-CD1 3.14Å; T465-L469 WeakPolarHBondContact O-CG 3.26Å; T465-L469 PolarHBondContact O-N 3.17Å; M466-L469 HydrophobicContact CE-CD1 4.5Å; M466-L469 PolarHBondContact O-N 3.34Å; M466-L469 HydrophobicContact SD-CD1 4.14Å; A467-L469 PolarHBondContact O-N 2.85Å; L469-D471 VanDerWaalsContact C-N 3.31Å; L469-M472 HydrophobicContact CD2-CE 3.71Å; L469-M472 HydrophobicContact CG-CE 4.35Å; L469-M472 PolarHBondContact O-N 3.34Å; L469-L473 WeakPolarHBondContact O-CB 3.36Å; L469-L473 VanDerWaalsContact O-CG 3.27Å; L469-L473 WeakPolarHBondContact O-CG 3.38Å; L469-L473 PolarHBondContact O-N 3.49Å; L469-T541 HydrophobicContact CD1-CG2 4.42Å; L469-V545 HydrophobicContact CD2-CG2 3.88Å |
| 470 | L | 86.4 | Confident | 77.9 | Confident | 85 Ų | 85 | 50.7 Ų | 50.7 | 45% | 0.445 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66.6 | -36.7 | 177.1 | -72.5 | 172.7 | 0 | 0 | 0 | 111.4 | T411 M466 A467 L473 S474 | T411-L470 HydrophobicContact CG2-CB 4.43Å; T411-L470 HydrophobicContact CG2-CD1 4.23Å; M466-L470 WeakPolarHBondContact O-CB 3.38Å; M466-L470 WeakPolarHBondContact O-CG 3.16Å; M466-L470 PolarHBondContact O-N 2.91Å; A467-L470 PolarHBondContact O-N 3.09Å; L470-L473 PolarHBondContact O-N 3.28Å; L470-S474 VanDerWaalsContact O-CB 3.32Å; L470-S474 WeakPolarHBondContact O-CB 3.49Å; L470-S474 PolarHBondContact O-N 3.04Å; L470-S474 PolarHBondContact O-OG 3.31Å |
| 471 | D | 80.6 | Confident | 75.4 | Confident | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.4 | -51 | 172.5 | -178.1 | 47.8 | 0 | 0 | 0 | 111.3 | N408 F412 A467 L469 L473 S474 F509 | N408-D471 VanDerWaalsContact CG-OD1 3.23Å; N408-D471 PolarHBondContact ND2-OD1 3.07Å; F412-D471 HydrophobicContact CE1-CB 4.26Å; F412-D471 HydrophobicContact CE2-CB 4.25Å; F412-D471 HydrophobicContact CZ-CB 3.6Å; F412-D471 VanDerWaalsContact CZ-CG 3.41Å; A467-D471 VanDerWaalsContact O-CB 3.3Å; A467-D471 WeakPolarHBondContact O-CB 3.04Å; A467-D471 PolarHBondContact O-N 3.35Å; L469-D471 VanDerWaalsContact C-N 3.31Å; D471-L473 VanDerWaalsContact C-N 3.34Å; D471-L473 PolarHBondContact O-N 2.8Å; D471-S474 PolarHBondContact O-N 3.33Å; D471-F509 WeakPolarHBondContact OD2-CD1 3.33Å; D471-F509 WeakPolarHBondContact OD2-CE1 3.47Å |
| 472 | M | 81.1 | Confident | 73 | Confident | 4 Ų | 4 | 64.5 Ų | 64.5 | 2% | 0.02 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.8 | -40.6 | 173.8 | -70.9 | -174.6 | -67.6 | 0 | 0 | 112.6 | D468 L469 S474 F509 T542 V545 W550 | D468-M472 WeakPolarHBondContact O-CE 3.28Å; D468-M472 WeakPolarHBondContact O-CG 3.42Å; D468-M472 PolarHBondContact O-N 3.14Å; D468-M472 VanDerWaalsContact O-N 3.1Å; L469-M472 HydrophobicContact CD2-CE 3.71Å; L469-M472 HydrophobicContact CG-CE 4.35Å; L469-M472 PolarHBondContact O-N 3.34Å; M472-S474 VanDerWaalsContact C-N 3.33Å; M472-S474 PolarHBondContact O-N 2.78Å; M472-F509 HydrophobicContact CG-CB 3.92Å; M472-F509 HydrophobicContact CG-CD1 4.19Å; M472-F509 HydrophobicContact CG-CG 4.38Å; M472-F509 HydrophobicContact SD-CB 4.29Å; M472-T542 HydrophobicContact CE-CG2 3.78Å; M472-V545 HydrophobicContact CB-CG1 4.08Å; M472-V545 HydrophobicContact SD-CG1 4.4Å; M472-W550 HydrophobicContact CB-CH2 4.28Å; M472-W550 HydrophobicContact CB-CZ2 3.8Å; M472-W550 HydrophobicContact CG-CH2 4.16Å; M472-W550 HydrophobicContact CG-CZ2 4.18Å; M472-W550 WeakPolarHBondContact O-CZ2 3.27Å; M472-W550 PolarHBondContact O-NE1 2.89Å |
| 473 | L | 81.3 | Confident | 70.3 | Confident | 87 Ų | 87 | 63.1 Ų | 63.1 | 46% | 0.455 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -76.8 | -18 | -177.5 | -69.7 | 171.5 | 0 | 0 | 0 | 114.1 | L469 L470 D471 C475 V545 | L469-L473 WeakPolarHBondContact O-CB 3.36Å; L469-L473 VanDerWaalsContact O-CG 3.27Å; L469-L473 WeakPolarHBondContact O-CG 3.38Å; L469-L473 PolarHBondContact O-N 3.49Å; L470-L473 PolarHBondContact O-N 3.28Å; D471-L473 VanDerWaalsContact C-N 3.34Å; D471-L473 PolarHBondContact O-N 2.8Å; L473-C475 VanDerWaalsContact C-N 3.29Å; L473-C475 PolarHBondContact O-N 3.17Å; L473-V545 HydrophobicContact CD2-CG1 4.4Å; L473-V545 HydrophobicContact CD2-CG2 4.43Å |
| 474 | S | 78.5 | Confident | 67.6 | Low | 32 Ų | 32 | 67.4 Ų | 67.4 | 22% | 0.224 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -78.2 | -13.8 | -178.5 | -64.3 | 0 | 0 | 0 | 0 | 113.3 | N408 L470 D471 M472 T476 | N408-S474 WeakPolarHBondContact OD1-CB 3.31Å; N408-S474 PolarHBondContact OD1-OG 2.86Å; L470-S474 VanDerWaalsContact O-CB 3.32Å; L470-S474 WeakPolarHBondContact O-CB 3.49Å; L470-S474 PolarHBondContact O-N 3.04Å; L470-S474 PolarHBondContact O-OG 3.31Å; D471-S474 PolarHBondContact O-N 3.33Å; M472-S474 VanDerWaalsContact C-N 3.33Å; M472-S474 PolarHBondContact O-N 2.78Å; S474-T476 PolarHBondContact O-N 3.29Å |
| 475 | C | 71.6 | Confident | 65.3 | Low | 6 Ų | 6 | 73.6 Ų | 73.6 | 4% | 0.041 | 45% | 0.45 | C | S | . | . | trans | -80.7 | 99.4 | 169.8 | 178 | 0 | 0 | 0 | 0 | 110.2 | L473 C502 W550 | L473-C475 VanDerWaalsContact C-N 3.29Å; L473-C475 PolarHBondContact O-N 3.17Å; C475-C502 HydrophobicContact CB-CB 3.78Å; C475-C502 WeakPolarHBondContact CB-SG 3.3Å; C475-C502 WeakPolarHBondContact SG-CB 3.38Å; C475-C502 CovalentContact SG-SG 2.02Å; C475-C502 PolarHBondContact SG-SG 3.3Å; C475-W550 HydrophobicContact CB-CZ2 4.08Å | ||
| 476 | T | 62.7 | Low | 62.8 | Low | 105 Ų | 105 | 80.3 Ų | 80.3 | 64% | 0.644 | 49% | 0.491 | S | S | * | . | P | Polyproline II helix | trans | -98.2 | 134.1 | 175.8 | 55.1 | 0 | 0 | 0 | 0 | 111.8 | S474 E478 | S474-T476 PolarHBondContact O-N 3.29Å; T476-E478 PolarHBondContact O-N 2.99Å |
| 477 | P | 59.2 | Low | 60.2 | Low | 69 Ų | 69 | 81.4 Ų | 81.4 | 45% | 0.448 | 51% | 0.512 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 121.6 | 169.8 | 26.8 | -29.4 | 0 | 0 | 0 | 109.7 | V479 | P477-V479 PolarHBondContact O-N 2.98Š|
| 478 | E | 51 | Low | 57.7 | Low | 175 Ų | 175 | 85.6 Ų | 85.6 | 82% | 0.818 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -68.9 | 124.2 | 168.4 | -80 | -172.7 | 163 | 0 | 0 | 109.3 | T476 | T476-E478 PolarHBondContact O-N 2.99Š|
| 479 | V | 46.2 | Very low | 55.8 | Low | 127 Ų | 127 | 90.7 Ų | 90.7 | 77% | 0.77 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 127.9 | 171.1 | 178.9 | 0 | 0 | 0 | 0 | 107.9 | P477 D481 | P477-V479 PolarHBondContact O-N 2.98Å; V479-D481 PolarHBondContact O-N 3.41Å |
| 480 | P | 45.6 | Very low | 53.5 | Low | 113 Ų | 113 | 99.9 Ų | 99.9 | 73% | 0.734 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 117.4 | 172.3 | 25.6 | -29.6 | 0 | 0 | 0 | 109.5 | S482 | P480-S482 PolarHBondContact O-N 2.97Š|
| 481 | D | 35.7 | Very low | 50.7 | Low | 173 Ų | 173 | 100.9 Ų | 100.9 | 93% | 0.925 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -58 | 119.7 | 173.9 | -99.3 | -21.8 | 0 | 0 | 0 | 110.6 | V479 | V479-D481 PolarHBondContact O-N 3.41Š|
| 482 | S | 40.4 | Very low | 48.8 | Very low | 121 Ų | 121 | 106.7 Ų | 106.7 | 85% | 0.846 | 68% | 0.675 | S | S | * | * | trans | -108.3 | 110 | 174 | 60.8 | 0 | 0 | 0 | 0 | 111.4 | P480 | P480-S482 PolarHBondContact O-N 2.97Š| ||
| 483 | G | 35.3 | Very low | 46.2 | Very low | 78 Ų | 78 | 110.6 Ų | 110.6 | 80% | 0.804 | 70% | 0.703 | S | S | * | * | trans | 127.8 | 111.2 | 163.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 484 | S | 34 | Very low | 44.1 | Very low | 120 Ų | 120 | 112.4 Ų | 112.4 | 84% | 0.839 | 72% | 0.723 | S | S | * | * | -163.9 | 151.8 | 55.6 | 56.1 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 485 | T | 42.4 | Very low | 41.8 | Very low | 130 Ų | 130 | 115.8 Ų | 115.8 | 80% | 0.798 | 75% | 0.746 | S | S | * | * | trans | -56.4 | 134.3 | 174.7 | 36.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 486 | T | 35.8 | Very low | 40 | Very low | 152 Ų | 152 | 122.8 Ų | 122.8 | 93% | 0.933 | 78% | 0.778 | S | S | * | * | -169.1 | 150.4 | 126.1 | 24.3 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 487 | A | 36 | Very low | 38.7 | Very low | 99 Ų | 99 | 122.9 Ų | 122.9 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -88.4 | 165.6 | -161.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 488 | A | 35.4 | Very low | 37.8 | Very low | 95 Ų | 95 | 128.3 Ų | 128.3 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | 103 | 157.9 | 158.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 489 | P | 46 | Very low | 37.6 | Very low | 114 Ų | 114 | 126.8 Ų | 126.8 | 74% | 0.74 | 79% | 0.791 | S | S | * | * | -126.9 | 163.1 | -93.2 | 27.4 | -6.3 | 0 | 0 | 0 | 115.2 | |||||
| 490 | F | 38.7 | Very low | 37.8 | Very low | 211 Ų | 211 | 122.9 Ų | 122.9 | 93% | 0.925 | 78% | 0.777 | S | S | * | * | trans | 34.8 | 109.9 | 157.7 | -83.9 | -91 | 0 | 0 | 0 | 119.7 | ||||
| 491 | S | 28.3 | Very low | 38.5 | Very low | 106 Ų | 106 | 118.7 Ų | 118.7 | 74% | 0.741 | 75% | 0.754 | S | S | * | * | trans | -153.5 | 124.7 | 137.6 | 59.9 | 0 | 0 | 0 | 0 | 110.8 | S493 | S491-S493 PolarHBondContact O-N 3.41Š| ||
| 492 | S | 39 | Very low | 39.8 | Very low | 124 Ų | 124 | 111.2 Ų | 111.2 | 87% | 0.867 | 72% | 0.715 | S | S | * | * | trans | -60.1 | 111.5 | 170.6 | 48.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 493 | S | 26.8 | Very low | 41 | Very low | 86 Ų | 86 | 107.5 Ų | 107.5 | 60% | 0.601 | 69% | 0.687 | S | S | * | * | trans | -150.2 | 108.8 | 156 | 52.6 | 0 | 0 | 0 | 0 | 109.7 | S491 S495 | S491-S493 PolarHBondContact O-N 3.41Å; S493-S495 PolarHBondContact O-N 3.18Å; S493-S495 VanDerWaalsContact O-N 3.11Å | ||
| 494 | S | 37.1 | Very low | 42.6 | Very low | 125 Ų | 125 | 108.1 Ų | 108.1 | 87% | 0.874 | 67% | 0.672 | S | S | * | * | trans | 16.2 | 86 | 145.3 | 56.1 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 495 | S | 30.9 | Very low | 44.5 | Very low | 102 Ų | 102 | 107.2 Ų | 107.2 | 71% | 0.713 | 66% | 0.658 | S | S | * | * | trans | -149.8 | 68.6 | 155 | 44.8 | 0 | 0 | 0 | 0 | 109.1 | S493 S497 | S493-S495 PolarHBondContact O-N 3.18Å; S493-S495 VanDerWaalsContact O-N 3.11Å; S495-S497 PolarHBondContact O-N 3.42Å | ||
| 496 | Q | 34 | Very low | 46.2 | Very low | 154 Ų | 154 | 101 Ų | 101 | 72% | 0.72 | 62% | 0.62 | S | S | * | * | trans | -59.6 | 86.6 | 145.6 | -79.3 | -176.7 | -10.1 | 0 | 0 | 106.4 | R498 | Q496-R498 HydrophobicContact CB-CG 4.16Å; Q496-R498 PolarHBondContact O-N 2.94Å | ||
| 497 | S | 35.8 | Very low | 48.3 | Very low | 106 Ų | 106 | 96.6 Ų | 96.6 | 74% | 0.741 | 59% | 0.588 | S | S | * | * | trans | -65.6 | 81 | 153.6 | 47.6 | 0 | 0 | 0 | 0 | 105.9 | S495 L499 | S495-S497 PolarHBondContact O-N 3.42Å; S497-L499 PolarHBondContact O-N 3.39Å | ||
| 498 | R | 39.4 | Very low | 50.5 | Low | 183 Ų | 183 | 96.1 Ų | 96.1 | 69% | 0.691 | 57% | 0.566 | S | S | * | * | trans | -58.6 | 92.8 | 166.2 | -70.3 | -173.2 | -178.3 | -179.6 | -2 | 106.6 | Q496 G500 | Q496-R498 HydrophobicContact CB-CG 4.16Å; Q496-R498 PolarHBondContact O-N 2.94Å; R498-G500 PolarHBondContact O-N 3.09Å | ||
| 499 | L | 46.5 | Very low | 52.7 | Low | 143 Ų | 143 | 91.9 Ų | 91.9 | 75% | 0.749 | 53% | 0.529 | S | S | * | . | trans | -68.5 | 64.1 | 167.4 | -159.4 | 77 | 0 | 0 | 0 | 107.9 | S497 N504 | S497-L499 PolarHBondContact O-N 3.39Å; L499-N504 PolarHBondContact O-ND2 3.35Å; L499-N504 VanDerWaalsContact O-ND2 3.09Å | ||
| 500 | G | 50 | Low | 54.5 | Low | 46 Ų | 46 | 86.5 Ų | 86.5 | 47% | 0.474 | 49% | 0.494 | S | S | . | . | trans | -99.8 | 91.9 | 173 | 0 | 0 | 0 | 0 | 0 | 107.7 | R498 | R498-G500 PolarHBondContact O-N 3.09Š| ||
| 501 | G | 61.9 | Low | 56.8 | Low | 25 Ų | 25 | 81.2 Ų | 81.2 | 26% | 0.258 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -154.3 | 160 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | D402 V503 N504 | D402-G501 VanDerWaalsContact OD1-CA 3.24Å; D402-G501 WeakPolarHBondContact OD1-CA 3.37Å; G501-V503 PolarHBondContact O-N 3.45Å; G501-N504 PolarHBondContact O-N 2.99Å |
| 502 | C | 62.2 | Low | 59.5 | Low | 15 Ų | 15 | 76.5 Ų | 76.5 | 10% | 0.101 | 44% | 0.438 | C | S | . | . | G | 310 helix | trans | -15.8 | -31.6 | 177.7 | 56.6 | 0 | 0 | 0 | 0 | 119.1 | D402 C475 N504 F509 | D402-C502 PolarHBondContact OD1-N 2.98Å; D402-C502 WeakPolarHBondContact OD2-CA 3.47Å; D402-C502 WeakPolarHBondContact OD2-CB 3.29Å; D402-C502 PolarHBondContact OD2-N 3.41Å; C475-C502 HydrophobicContact CB-CB 3.78Å; C475-C502 WeakPolarHBondContact CB-SG 3.3Å; C475-C502 WeakPolarHBondContact SG-CB 3.38Å; C475-C502 CovalentContact SG-SG 2.02Å; C475-C502 PolarHBondContact SG-SG 3.3Å; C502-N504 VanDerWaalsContact C-N 3.29Å; C502-N504 PolarHBondContact O-N 3.3Å; C502-F509 HydrophobicContact CB-CE2 4.1Å; C502-F509 HydrophobicContact CB-CZ 4.19Å |
| 503 | V | 65.8 | Low | 61.8 | Low | 43 Ų | 43 | 70.7 Ų | 70.7 | 26% | 0.261 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | -61.5 | -28.6 | 173 | -175.2 | 0 | 0 | 0 | 0 | 113.6 | G501 | G501-V503 PolarHBondContact O-N 3.45Š|
| 504 | N | 69.2 | Low | 64.8 | Low | 92 Ų | 92 | 67.4 Ų | 67.4 | 49% | 0.492 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -73.5 | -28.2 | -175.5 | -72.5 | -34.5 | 0 | 0 | 0 | 113.9 | L499 G501 C502 Y557 | L499-N504 PolarHBondContact O-ND2 3.35Å; L499-N504 VanDerWaalsContact O-ND2 3.09Å; G501-N504 PolarHBondContact O-N 2.99Å; C502-N504 VanDerWaalsContact C-N 3.29Å; C502-N504 PolarHBondContact O-N 3.3Å; N504-Y557 WeakPolarHBondContact O-CE2 3.3Å |
| 505 | N | 73.1 | Confident | 67.3 | Low | 101 Ų | 101 | 63.7 Ų | 63.7 | 54% | 0.54 | 34% | 0.344 | S | S | . | . | trans | -148.9 | 66.3 | -179.1 | -78.5 | -47.2 | 0 | 0 | 0 | 112.2 | K507 Y508 | N505-K507 PolarHBondContact O-N 2.76Å; N505-Y508 PolarHBondContact O-N 2.81Å | ||
| 506 | P | 78.4 | Confident | 70.1 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -12.7 | -178.1 | 27.5 | -36 | 0 | 0 | 0 | 113.6 | Y508 W550 I553 F554 Y557 | P506-Y508 VanDerWaalsContact C-N 3.25Å; P506-Y508 PolarHBondContact O-N 3.29Å; P506-W550 HydrophobicContact CB-CE3 4.25Å; P506-W550 HydrophobicContact CB-CZ3 3.99Å; P506-I553 HydrophobicContact CB-CG2 3.96Å; P506-I553 HydrophobicContact CG-CG2 4.24Å; P506-F554 HydrophobicContact CB-CD1 4.23Å; P506-F554 HydrophobicContact CB-CE1 3.81Å; P506-F554 HydrophobicContact CB-CZ 4.04Å; P506-F554 HydrophobicContact CG-CD1 3.91Å; P506-F554 HydrophobicContact CG-CE1 3.83Å; P506-Y557 HydrophobicContact CG-CD1 4.33Å; P506-Y557 HydrophobicContact CG-CD2 3.91Å; P506-Y557 HydrophobicContact CG-CG 3.76Å |
| 507 | K | 80.3 | Confident | 72.8 | Confident | 59 Ų | 59 | 51.5 Ų | 51.5 | 26% | 0.257 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.2 | -27.4 | 177.7 | -70.2 | -177.8 | 176 | 159 | 0 | 113.7 | N505 F509 S510 F511 Y557 M576 | N505-K507 PolarHBondContact O-N 2.76Å; K507-F509 PolarHBondContact O-N 3.36Å; K507-S510 WeakPolarHBondContact O-CB 3.46Å; K507-S510 PolarHBondContact O-N 3.27Å; K507-F511 WeakPolarHBondContact O-CD2 3.24Å; K507-F511 PolarHBondContact O-N 3.12Å; K507-Y557 HydrophobicContact CD-CE1 4.15Å; K507-Y557 WeakPolarHBondContact CD-OH 3.42Å; K507-Y557 VanDerWaalsContact CE-CE1 3.42Å; K507-Y557 WeakPolarHBondContact CE-OH 3.31Å; K507-Y557 HydrophobicContact CG-CE1 4.4Å; K507-Y557 PolarHBondContact NZ-OH 2.69Å; K507-Y557 VanDerWaalsContact NZ-OH 3.1Å; K507-M576 HydrophobicContact CB-CE 3.5Å; K507-M576 HydrophobicContact CB-SD 4.41Å; K507-M576 HydrophobicContact CD-CE 4.27Å; K507-M576 HydrophobicContact CD-SD 4.17Å; K507-M576 HydrophobicContact CG-CE 3.68Å; K507-M576 HydrophobicContact CG-CG 4.28Å; K507-M576 HydrophobicContact CG-SD 3.92Å; K507-M576 WeakPolarHBondContact O-CE 3.47Å |
| 508 | Y | 81.8 | Confident | 75.4 | Confident | 88 Ų | 88 | 49.1 Ų | 49.1 | 35% | 0.345 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66.7 | -37.5 | -174.5 | -146.3 | -87.6 | 0 | 0 | 0 | 112.7 | M397 I401 N505 P506 S510 F511 I512 | M397-Y508 HydrophobicContact CB-CE1 4.05Å; M397-Y508 HydrophobicContact CG-CE1 4.27Å; M397-Y508 HydrophobicContact SD-CE1 4.37Å; M397-Y508 PolarHBondContact SD-OH 3.19Å; I401-Y508 HydrophobicContact CD1-CD1 3.26Å; I401-Y508 HydrophobicContact CD1-CD2 4Å; I401-Y508 HydrophobicContact CD1-CE1 3.44Å; I401-Y508 VanDerWaalsContact CD1-CE1 3.44Å; I401-Y508 HydrophobicContact CD1-CE2 4.15Å; I401-Y508 HydrophobicContact CD1-CG 3.55Å; N505-Y508 PolarHBondContact O-N 2.81Å; P506-Y508 VanDerWaalsContact C-N 3.25Å; P506-Y508 PolarHBondContact O-N 3.29Å; Y508-S510 VanDerWaalsContact C-N 3.28Å; Y508-S510 PolarHBondContact O-N 3.24Å; Y508-F511 WeakPolarHBondContact O-CA 2.74Å; Y508-F511 WeakPolarHBondContact O-CB 3.36Å; Y508-F511 PolarHBondContact O-N 3.28Å; Y508-I512 HydrophobicContact CD1-CD1 4.32Å; Y508-I512 HydrophobicContact CD1-CG1 4.4Å; Y508-I512 PolarHBondContact O-N 2.99Å |
| 509 | F | 81.3 | Confident | 77.7 | Confident | 6 Ų | 6 | 40.5 Ų | 40.5 | 3% | 0.026 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.9 | -32.3 | 176.9 | -62.1 | -86.1 | 0 | 0 | 0 | 112.7 | D471 M472 C502 K507 F511 I512 A513 W550 | D471-F509 WeakPolarHBondContact OD2-CD1 3.33Å; D471-F509 WeakPolarHBondContact OD2-CE1 3.47Å; M472-F509 HydrophobicContact CG-CB 3.92Å; M472-F509 HydrophobicContact CG-CD1 4.19Å; M472-F509 HydrophobicContact CG-CG 4.38Å; M472-F509 HydrophobicContact SD-CB 4.29Å; C502-F509 HydrophobicContact CB-CE2 4.1Å; C502-F509 HydrophobicContact CB-CZ 4.19Å; K507-F509 PolarHBondContact O-N 3.36Å; F509-F511 VanDerWaalsContact C-N 3.29Å; F509-F511 PolarHBondContact O-N 2.87Å; F509-I512 HydrophobicContact CD1-CD1 4.33Å; F509-I512 WeakPolarHBondContact O-CB 3.39Å; F509-I512 PolarHBondContact O-N 3.46Å; F509-A513 PolarHBondContact O-N 3.46Å; F509-A513 VanDerWaalsContact O-N 3.1Å; F509-W550 HydrophobicContact CB-CH2 3.73Å; F509-W550 HydrophobicContact CB-CZ3 3.84Å; F509-W550 HydrophobicContact CD1-CH2 4.1Å; F509-W550 AromaticContact CD2-CH2 3.4Å; F509-W550 HydrophobicContact CD2-CH2 3.4Å; F509-W550 AromaticContact CD2-CZ3 3.81Å; F509-W550 HydrophobicContact CD2-CZ3 3.81Å; F509-W550 AromaticContact CE2-CH2 3.97Å; F509-W550 HydrophobicContact CE2-CH2 3.97Å; F509-W550 AromaticContact CG-CH2 3.46Å; F509-W550 HydrophobicContact CG-CH2 3.46Å; F509-W550 VanDerWaalsContact CG-CH2 3.46Å; F509-W550 AromaticContact CG-CZ3 3.98Å; F509-W550 HydrophobicContact CG-CZ3 3.98Å |
| 510 | S | 84.6 | Confident | 79.7 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.007 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68.1 | -26.9 | 170.6 | -67.7 | 0 | 0 | 0 | 0 | 112.8 | K507 Y508 N546 | K507-S510 WeakPolarHBondContact O-CB 3.46Å; K507-S510 PolarHBondContact O-N 3.27Å; Y508-S510 VanDerWaalsContact C-N 3.28Å; Y508-S510 PolarHBondContact O-N 3.24Å; S510-N546 PolarHBondContact OG-ND2 3.21Å; S510-N546 VanDerWaalsContact OG-ND2 3.09Å |
| 511 | F | 86.6 | Confident | 81.4 | Confident | 101 Ų | 101 | 32 Ų | 32 | 44% | 0.443 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -76.9 | -32.5 | 170.9 | -62.1 | -51.2 | 0 | 0 | 0 | 112.5 | K507 Y508 F509 A513 V514 L515 M576 M579 | K507-F511 WeakPolarHBondContact O-CD2 3.24Å; K507-F511 PolarHBondContact O-N 3.12Å; Y508-F511 WeakPolarHBondContact O-CA 2.74Å; Y508-F511 WeakPolarHBondContact O-CB 3.36Å; Y508-F511 PolarHBondContact O-N 3.28Å; F509-F511 VanDerWaalsContact C-N 3.29Å; F509-F511 PolarHBondContact O-N 2.87Å; F511-A513 VanDerWaalsContact C-N 3.31Å; F511-A513 PolarHBondContact O-N 2.94Å; F511-V514 WeakPolarHBondContact O-CA 3.21Å; F511-V514 WeakPolarHBondContact O-CB 3.43Å; F511-V514 PolarHBondContact O-N 2.85Å; F511-L515 PolarHBondContact O-N 3.09Å; F511-L515 VanDerWaalsContact O-N 3.16Å; F511-M576 HydrophobicContact CE1-CE 4.29Å; F511-M576 HydrophobicContact CE2-CE 4.42Å; F511-M576 HydrophobicContact CZ-CE 4.08Å; F511-M579 HydrophobicContact CD1-CE 3.74Å; F511-M579 HydrophobicContact CD1-SD 4.27Å; F511-M579 HydrophobicContact CE1-CE 3.63Å; F511-M579 HydrophobicContact CE1-SD 3.62Å |
| 512 | I | 85.7 | Confident | 82.5 | Confident | 7 Ų | 7 | 34.6 Ų | 34.6 | 4% | 0.036 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.6 | -42.3 | 171.8 | -68.4 | 172.5 | 0 | 0 | 0 | 110.5 | T394 D468 Y508 F509 V514 L515 A516 | T394-I512 HydrophobicContact CG2-CB 4.48Å; T394-I512 HydrophobicContact CG2-CG1 4.32Å; T394-I512 HydrophobicContact CG2-CG2 3.6Å; D468-I512 HydrophobicContact CB-CG2 4.45Å; Y508-I512 HydrophobicContact CD1-CD1 4.32Å; Y508-I512 HydrophobicContact CD1-CG1 4.4Å; Y508-I512 PolarHBondContact O-N 2.99Å; F509-I512 HydrophobicContact CD1-CD1 4.33Å; F509-I512 WeakPolarHBondContact O-CB 3.39Å; F509-I512 PolarHBondContact O-N 3.46Å; I512-V514 PolarHBondContact O-N 3.15Å; I512-L515 WeakPolarHBondContact O-CA 3.25Å; I512-L515 WeakPolarHBondContact O-CB 3.28Å; I512-L515 PolarHBondContact O-N 3.27Å; I512-A516 PolarHBondContact O-N 3.31Å; I512-A516 VanDerWaalsContact O-N 3.1Å |
| 513 | A | 86.8 | Confident | 83.4 | Confident | 2 Ų | 2 | 34.1 Ų | 34.1 | 2% | 0.017 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.5 | -31.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | F509 F511 A516 L517 T542 I580 | F509-A513 PolarHBondContact O-N 3.46Å; F509-A513 VanDerWaalsContact O-N 3.1Å; F511-A513 VanDerWaalsContact C-N 3.31Å; F511-A513 PolarHBondContact O-N 2.94Å; A513-A516 WeakPolarHBondContact O-CB 3.04Å; A513-A516 PolarHBondContact O-N 3.48Å; A513-L517 PolarHBondContact O-N 2.98Å; A513-L517 VanDerWaalsContact O-N 3.13Å; A513-T542 HydrophobicContact CB-CG2 3.69Å; A513-I580 HydrophobicContact CB-CD1 4.07Å |
| 514 | V | 90.6 | Very high | 83.8 | Confident | 17 Ų | 17 | 35.3 Ų | 35.3 | 10% | 0.103 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -70.4 | -34.4 | 173.7 | 178.2 | 0 | 0 | 0 | 0 | 111.4 | F511 I512 A516 L517 I518 M579 I580 M583 F587 | F511-V514 WeakPolarHBondContact O-CA 3.21Å; F511-V514 WeakPolarHBondContact O-CB 3.43Å; F511-V514 PolarHBondContact O-N 2.85Å; I512-V514 PolarHBondContact O-N 3.15Å; V514-A516 VanDerWaalsContact C-N 3.33Å; V514-L517 WeakPolarHBondContact O-CB 3.1Å; V514-L517 PolarHBondContact O-N 2.81Å; V514-I518 HydrophobicContact CG1-CD1 4.38Å; V514-I518 WeakPolarHBondContact O-CG1 3.04Å; V514-I518 PolarHBondContact O-N 3.4Å; V514-M579 HydrophobicContact CG2-CE 4.39Å; V514-I580 HydrophobicContact CG2-CG1 4.26Å; V514-M583 HydrophobicContact CG1-CB 4.48Å; V514-M583 HydrophobicContact CG1-CE 4.09Å; V514-M583 HydrophobicContact CG1-CG 4.42Å; V514-M583 HydrophobicContact CG2-CG 4.44Å; V514-F587 HydrophobicContact CG1-CE2 4.23Å |
| 515 | L | 89.4 | Confident | 83.9 | Confident | 46 Ų | 46 | 31.8 Ų | 31.8 | 24% | 0.241 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.7 | -37.4 | 172.8 | -61.8 | 174.2 | 0 | 0 | 0 | 111.7 | V390 F393 T394 F511 I512 L517 I518 A519 | V390-L515 HydrophobicContact CG1-CB 3.9Å; F393-L515 HydrophobicContact CD1-CD1 3.72Å; F393-L515 HydrophobicContact CE1-CD1 3.79Å; T394-L515 HydrophobicContact CG2-CD1 4.27Å; F511-L515 PolarHBondContact O-N 3.09Å; F511-L515 VanDerWaalsContact O-N 3.16Å; I512-L515 WeakPolarHBondContact O-CA 3.25Å; I512-L515 WeakPolarHBondContact O-CB 3.28Å; I512-L515 PolarHBondContact O-N 3.27Å; L515-L517 VanDerWaalsContact C-N 3.35Å; L515-I518 HydrophobicContact CD2-CD1 4.23Å; L515-I518 WeakPolarHBondContact O-CB 3.47Å; L515-I518 PolarHBondContact O-N 3.35Å; L515-I518 VanDerWaalsContact O-N 3.16Å; L515-A519 PolarHBondContact O-N 3.18Å |
| 516 | A | 88.2 | Confident | 84.3 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.4 | -40.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112 | L464 D468 I512 A513 V514 I518 A519 T520 I538 | L464-A516 HydrophobicContact CD2-CB 4.2Å; D468-A516 WeakPolarHBondContact OD2-CB 3.14Å; I512-A516 PolarHBondContact O-N 3.31Å; I512-A516 VanDerWaalsContact O-N 3.1Å; A513-A516 WeakPolarHBondContact O-CB 3.04Å; A513-A516 PolarHBondContact O-N 3.48Å; V514-A516 VanDerWaalsContact C-N 3.33Å; A516-I518 VanDerWaalsContact C-N 3.34Å; A516-I518 PolarHBondContact O-N 3.39Å; A516-A519 WeakPolarHBondContact O-CB 3.46Å; A516-A519 PolarHBondContact O-N 3.03Å; A516-T520 PolarHBondContact O-N 3.08Å; A516-I538 HydrophobicContact CB-CD1 4.37Å; A516-I538 HydrophobicContact CB-CG2 4.39Å |
| 517 | L | 90.9 | Very high | 84.6 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.3 | -41 | 171.6 | -67.9 | 175.8 | 0 | 0 | 0 | 111.7 | A513 V514 L515 A519 T520 T521 M535 I538 I580 M584 F587 | A513-L517 PolarHBondContact O-N 2.98Å; A513-L517 VanDerWaalsContact O-N 3.13Å; V514-L517 WeakPolarHBondContact O-CB 3.1Å; V514-L517 PolarHBondContact O-N 2.81Å; L515-L517 VanDerWaalsContact C-N 3.35Å; L517-A519 PolarHBondContact O-N 3.37Å; L517-T520 PolarHBondContact O-N 2.8Å; L517-T520 PolarHBondContact O-OG1 2.94Å; L517-T521 PolarHBondContact O-N 3.32Å; L517-M535 HydrophobicContact CD2-CB 3.96Å; L517-M535 HydrophobicContact CD2-CG 3.99Å; L517-I538 HydrophobicContact CD2-CB 4.06Å; L517-I538 HydrophobicContact CD2-CD1 4.38Å; L517-I538 HydrophobicContact CD2-CG2 3.95Å; L517-I538 HydrophobicContact CG-CG2 4.22Å; L517-I580 HydrophobicContact CD1-CG2 3.88Å; L517-M584 HydrophobicContact CD1-CB 4.07Å; L517-F587 HydrophobicContact CB-CD2 4.12Å; L517-F587 HydrophobicContact CB-CE2 4.44Å |
| 518 | I | 89.9 | Confident | 84.9 | Confident | 57 Ų | 57 | 25.5 Ų | 25.5 | 29% | 0.292 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -61.9 | -43.3 | 175.6 | -68.9 | 164.1 | 0 | 0 | 0 | 110.8 | V514 L515 A516 T520 T521 M522 F587 | V514-I518 HydrophobicContact CG1-CD1 4.38Å; V514-I518 WeakPolarHBondContact O-CG1 3.04Å; V514-I518 PolarHBondContact O-N 3.4Å; L515-I518 HydrophobicContact CD2-CD1 4.23Å; L515-I518 WeakPolarHBondContact O-CB 3.47Å; L515-I518 PolarHBondContact O-N 3.35Å; L515-I518 VanDerWaalsContact O-N 3.16Å; A516-I518 VanDerWaalsContact C-N 3.34Å; A516-I518 PolarHBondContact O-N 3.39Å; I518-T520 VanDerWaalsContact C-N 3.25Å; I518-T520 PolarHBondContact O-N 3.1Å; I518-T521 PolarHBondContact O-N 2.91Å; I518-T521 PolarHBondContact O-OG1 3.42Å; I518-M522 PolarHBondContact O-N 2.95Å; I518-F587 HydrophobicContact CD1-CE2 4.48Å; I518-F587 HydrophobicContact CD1-CZ 4.03Å; I518-F587 HydrophobicContact CG1-CE1 4.12Å; I518-F587 HydrophobicContact CG1-CE2 3.69Å; I518-F587 HydrophobicContact CG1-CZ 3.39Å |
| 519 | A | 88.6 | Confident | 85.2 | Confident | 2 Ų | 2 | 24 Ų | 24 | 2% | 0.017 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -55.8 | -39.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | V390 I461 L464 L515 A516 L517 T521 M522 | V390-A519 HydrophobicContact CG2-CB 4.21Å; I461-A519 HydrophobicContact CD1-CB 4.28Å; L464-A519 HydrophobicContact CD2-CB 3.66Å; L515-A519 PolarHBondContact O-N 3.18Å; A516-A519 WeakPolarHBondContact O-CB 3.46Å; A516-A519 PolarHBondContact O-N 3.03Å; L517-A519 PolarHBondContact O-N 3.37Å; A519-T521 VanDerWaalsContact C-N 3.32Å; A519-T521 PolarHBondContact O-N 3Å; A519-M522 PolarHBondContact O-N 3.37Å |
| 520 | T | 88 | Confident | 85.5 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65.2 | -31.9 | 177.1 | 68.9 | 0 | 0 | 0 | 0 | 113.6 | I461 A516 L517 I518 M522 L523 L534 M535 I538 | I461-T520 HydrophobicContact CD1-CG2 3.76Å; I461-T520 HydrophobicContact CG1-CG2 4.04Å; I461-T520 HydrophobicContact CG2-CG2 3.87Å; A516-T520 PolarHBondContact O-N 3.08Å; L517-T520 PolarHBondContact O-N 2.8Å; L517-T520 PolarHBondContact O-OG1 2.94Å; I518-T520 VanDerWaalsContact C-N 3.25Å; I518-T520 PolarHBondContact O-N 3.1Å; T520-M522 VanDerWaalsContact C-N 3.31Å; T520-M522 PolarHBondContact O-N 2.66Å; T520-L523 PolarHBondContact O-N 3.21Å; T520-L534 HydrophobicContact CG2-CB 4.39Å; T520-M535 WeakPolarHBondContact OG1-CE 3.46Å; T520-M535 WeakPolarHBondContact OG1-CG 3.23Å; T520-I538 HydrophobicContact CG2-CD1 3.66Å |
| 521 | T | 86.3 | Confident | 85.8 | Confident | 11 Ų | 11 | 25.6 Ų | 25.6 | 7% | 0.067 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -66.7 | -35 | 178.6 | 67.4 | 0 | 0 | 0 | 0 | 112.1 | L517 I518 A519 L523 K531 M535 F587 | L517-T521 PolarHBondContact O-N 3.32Å; I518-T521 PolarHBondContact O-N 2.91Å; I518-T521 PolarHBondContact O-OG1 3.42Å; A519-T521 VanDerWaalsContact C-N 3.32Å; A519-T521 PolarHBondContact O-N 3Å; T521-L523 PolarHBondContact O-N 3.47Å; T521-K531 PolarHBondContact O-NZ 3.39Å; T521-M535 HydrophobicContact CG2-CE 3.49Å; T521-M535 VanDerWaalsContact CG2-CE 3.49Å; T521-F587 HydrophobicContact CG2-CB 3.64Å; T521-F587 HydrophobicContact CG2-CD1 3.83Å; T521-F587 HydrophobicContact CG2-CG 3.82Å |
| 522 | M | 84.1 | Confident | 86 | Confident | 78 Ų | 78 | 22.7 Ų | 22.7 | 38% | 0.384 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -13.9 | -176.4 | -65.7 | -62.5 | 125.9 | 0 | 0 | 113.8 | C386 I518 A519 T520 V524 | C386-M522 HydrophobicContact CB-CB 4.16Å; C386-M522 HydrophobicContact CB-CG 4.42Å; I518-M522 PolarHBondContact O-N 2.95Å; A519-M522 PolarHBondContact O-N 3.37Å; T520-M522 VanDerWaalsContact C-N 3.31Å; T520-M522 PolarHBondContact O-N 2.66Å; M522-V524 WeakPolarHBondContact O-CG2 3.46Å; M522-V524 PolarHBondContact O-N 3.28Å |
| 523 | L | 82.4 | Confident | 86.3 | Confident | 5 Ų | 5 | 26.4 Ų | 26.4 | 3% | 0.026 | 15% | 0.146 | C | C | . | . | trans | -72.7 | 71.7 | 174.7 | -63.3 | 171.5 | 0 | 0 | 0 | 111.4 | F384 A457 I461 T520 T521 Q525 V526 K531 | F384-L523 HydrophobicContact CD1-CD2 4.13Å; F384-L523 HydrophobicContact CE1-CD2 4.07Å; A457-L523 HydrophobicContact CB-CD1 4.08Å; I461-L523 HydrophobicContact CD1-CD1 4.04Å; I461-L523 HydrophobicContact CG1-CD1 3.76Å; T520-L523 PolarHBondContact O-N 3.21Å; T521-L523 PolarHBondContact O-N 3.47Å; L523-Q525 PolarHBondContact O-N 3.29Å; L523-V526 HydrophobicContact CB-CB 4.35Å; L523-V526 HydrophobicContact CB-CG2 4.07Å; L523-V526 PolarHBondContact O-N 2.88Å; L523-K531 WeakPolarHBondContact O-CE 3.35Å; L523-K531 PolarHBondContact O-NZ 3.48Å | ||
| 524 | V | 73.1 | Confident | 86.5 | Confident | 69 Ų | 69 | 26.9 Ų | 26.9 | 42% | 0.418 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -27.5 | -171.4 | 179.2 | 0 | 0 | 0 | 0 | 113.7 | M522 | M522-V524 WeakPolarHBondContact O-CG2 3.46Å; M522-V524 PolarHBondContact O-N 3.28Å |
| 525 | Q | 72.3 | Confident | 86.6 | Confident | 18 Ų | 18 | 26 Ų | 26 | 8% | 0.084 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | -9.6 | -170.3 | -56.8 | -160.1 | -21.1 | 0 | 0 | 115.2 | K376 E377 S380 L523 | K376-Q525 PolarHBondContact NZ-O 2.93Å; E377-Q525 PolarHBondContact O-NE2 2.97Å; S380-Q525 VanDerWaalsContact CA-NE2 3.3Å; L523-Q525 PolarHBondContact O-N 3.29Å |
| 526 | V | 80.4 | Confident | 86.8 | Confident | 8 Ų | 8 | 27.8 Ų | 27.8 | 5% | 0.048 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -86.7 | 136.6 | 178.2 | 178.1 | 0 | 0 | 0 | 0 | 109 | A457 L523 V530 K531 | A457-V526 HydrophobicContact CB-CG2 3.59Å; L523-V526 HydrophobicContact CB-CB 4.35Å; L523-V526 HydrophobicContact CB-CG2 4.07Å; L523-V526 PolarHBondContact O-N 2.88Å; V526-V530 HydrophobicContact CG1-CB 3.46Å; V526-V530 VanDerWaalsContact CG1-CB 3.46Å; V526-V530 HydrophobicContact CG1-CG1 3.41Å; V526-V530 VanDerWaalsContact CG1-CG1 3.41Å; V526-V530 HydrophobicContact CG1-CG2 4.43Å; V526-K531 HydrophobicContact CB-CG 4.41Å; V526-K531 HydrophobicContact CG1-CG 4.14Å; V526-K531 WeakPolarHBondContact O-CE 3.29Å |
| 527 | S | 85.2 | Confident | 87 | Confident | 17 Ų | 17 | 32.1 Ų | 32.1 | 12% | 0.119 | 18% | 0.175 | C | C | . | . | trans | -62.4 | 146.8 | 177.2 | 50.2 | 0 | 0 | 0 | 0 | 111.5 | M529 V530 K531 E595 | S527-M529 PolarHBondContact O-N 3.44Å; S527-M529 VanDerWaalsContact O-N 3.08Å; S527-V530 PolarHBondContact O-N 3.16Å; S527-V530 WeakPolarHBondContact OG-CG2 3.29Å; S527-K531 PolarHBondContact O-N 2.9Å; S527-K531 VanDerWaalsContact O-N 3.09Å; S527-E595 WeakPolarHBondContact CA-OE2 3.12Å | ||
| 528 | H | 86.9 | Confident | 87 | Confident | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.009 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -55.9 | -28.3 | 178.9 | 75.1 | -51.2 | 0 | 0 | 0 | 113.2 | L359 S360 K531 L532 E595 | L359-H528 PolarHBondContact O-NE2 2.94Å; S360-H528 PolarHBondContact O-CE1 3.27Å; S360-H528 VanDerWaalsContact O-CE1 3.32Å; H528-K531 PolarHBondContact O-N 3.43Å; H528-L532 WeakPolarHBondContact O-CB 3.34Å; H528-L532 PolarHBondContact O-N 3.44Å; H528-E595 WeakPolarHBondContact CB-OE2 3.33Å; H528-E595 IonicContact CG-OE2 2.74Å; H528-E595 PolarHBondContact N-OE2 3.3Å; H528-E595 IonicContact ND1-OE2 3.07Å; H528-E595 PolarHBondContact ND1-OE2 3.05Å |
| 529 | M | 87.8 | Confident | 87.1 | Confident | 56 Ų | 56 | 30.4 Ų | 30.4 | 28% | 0.276 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -65.4 | -42.1 | 174.2 | -63 | -69.7 | 78.7 | 0 | 0 | 112.7 | S527 L532 T533 Y588 | S527-M529 PolarHBondContact O-N 3.44Å; S527-M529 VanDerWaalsContact O-N 3.08Å; M529-L532 HydrophobicContact CE-CD2 4.04Å; M529-L532 PolarHBondContact O-N 3.33Å; M529-T533 WeakPolarHBondContact O-CG2 3.5Å; M529-T533 PolarHBondContact O-N 3.01Å; M529-T533 PolarHBondContact O-OG1 2.96Å; M529-Y588 HydrophobicContact CE-CE2 4.27Å |
| 530 | V | 87.8 | Confident | 87.3 | Confident | 28 Ų | 28 | 32.8 Ų | 32.8 | 17% | 0.17 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -71.9 | -35.2 | 177 | 174.7 | 0 | 0 | 0 | 0 | 110.2 | I458 V526 S527 T533 L534 | I458-V530 HydrophobicContact CG1-CG1 4.43Å; V526-V530 HydrophobicContact CG1-CB 3.46Å; V526-V530 VanDerWaalsContact CG1-CB 3.46Å; V526-V530 HydrophobicContact CG1-CG1 3.41Å; V526-V530 VanDerWaalsContact CG1-CG1 3.41Å; V526-V530 HydrophobicContact CG1-CG2 4.43Å; S527-V530 PolarHBondContact O-N 3.16Å; S527-V530 WeakPolarHBondContact OG-CG2 3.29Å; V530-T533 WeakPolarHBondContact CA-OG1 3.26Å; V530-T533 PolarHBondContact O-N 3.39Å; V530-T533 PolarHBondContact O-OG1 3.34Å; V530-L534 HydrophobicContact CG1-CD1 4.28Å; V530-L534 WeakPolarHBondContact O-CG 3.47Å; V530-L534 PolarHBondContact O-N 3Å; V530-L534 VanDerWaalsContact O-N 3.08Å |
| 531 | K | 90.4 | Very high | 87.4 | Confident | 13 Ų | 13 | 34.6 Ų | 34.6 | 6% | 0.057 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.4 | -44.3 | 171.2 | -64.9 | -174.5 | 179.3 | -173.9 | 0 | 111.6 | T521 L523 V526 S527 H528 T533 L534 M535 | T521-K531 PolarHBondContact O-NZ 3.39Å; L523-K531 WeakPolarHBondContact O-CE 3.35Å; L523-K531 PolarHBondContact O-NZ 3.48Å; V526-K531 HydrophobicContact CB-CG 4.41Å; V526-K531 HydrophobicContact CG1-CG 4.14Å; V526-K531 WeakPolarHBondContact O-CE 3.29Å; S527-K531 PolarHBondContact O-N 2.9Å; S527-K531 VanDerWaalsContact O-N 3.09Å; H528-K531 PolarHBondContact O-N 3.43Å; K531-T533 PolarHBondContact O-N 3.5Å; K531-L534 PolarHBondContact O-N 3.01Å; K531-M535 WeakPolarHBondContact O-CB 3.2Å; K531-M535 VanDerWaalsContact O-CG 3.23Å; K531-M535 WeakPolarHBondContact O-CG 3.35Å; K531-M535 PolarHBondContact O-N 3.46Å |
| 532 | L | 91.8 | Very high | 87.6 | Confident | 40 Ų | 40 | 34.3 Ų | 34.3 | 21% | 0.209 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.7 | -45.2 | 176.9 | 177.9 | 63.6 | 0 | 0 | 0 | 111.2 | H528 M529 L534 M535 L536 M584 Y588 | H528-L532 WeakPolarHBondContact O-CB 3.34Å; H528-L532 PolarHBondContact O-N 3.44Å; M529-L532 HydrophobicContact CE-CD2 4.04Å; M529-L532 PolarHBondContact O-N 3.33Å; L532-L534 VanDerWaalsContact C-N 3.33Å; L532-L534 PolarHBondContact O-N 3.13Å; L532-M535 PolarHBondContact O-N 3.43Å; L532-L536 HydrophobicContact CD1-CD1 4.01Å; L532-L536 HydrophobicContact CD1-CG 4.03Å; L532-L536 HydrophobicContact CG-CD1 3.92Å; L532-L536 HydrophobicContact CG-CG 4.37Å; L532-L536 WeakPolarHBondContact O-CB 3.5Å; L532-L536 VanDerWaalsContact O-CG 3.26Å; L532-L536 WeakPolarHBondContact O-CG 3.44Å; L532-L536 PolarHBondContact O-N 3.38Å; L532-M584 HydrophobicContact CD1-SD 4.48Å; L532-Y588 HydrophobicContact CB-CD2 3.97Å; L532-Y588 HydrophobicContact CB-CE2 4.02Å; L532-Y588 HydrophobicContact CD1-CD2 3.69Å; L532-Y588 HydrophobicContact CD1-CE2 4.04Å; L532-Y588 HydrophobicContact CD1-CG 4.1Å; L532-Y588 HydrophobicContact CD2-CD2 4.36Å; L532-Y588 HydrophobicContact CD2-CE2 3.85Å; L532-Y588 HydrophobicContact CG-CD2 4.21Å; L532-Y588 HydrophobicContact CG-CE2 4.18Å |
| 533 | T | 90.9 | Very high | 87.8 | Confident | 86 Ų | 86 | 31.1 Ų | 31.1 | 53% | 0.528 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -62.2 | -40.7 | 177.6 | 51.8 | 0 | 0 | 0 | 0 | 112.2 | M529 V530 K531 L537 | M529-T533 WeakPolarHBondContact O-CG2 3.5Å; M529-T533 PolarHBondContact O-N 3.01Å; M529-T533 PolarHBondContact O-OG1 2.96Å; V530-T533 WeakPolarHBondContact CA-OG1 3.26Å; V530-T533 PolarHBondContact O-N 3.39Å; V530-T533 PolarHBondContact O-OG1 3.34Å; K531-T533 PolarHBondContact O-N 3.5Å; T533-L537 WeakPolarHBondContact O-CB 3.44Å; T533-L537 PolarHBondContact O-N 2.7Å |
| 534 | L | 90.8 | Very high | 88.2 | Confident | 11 Ų | 11 | 35.4 Ų | 35.4 | 6% | 0.058 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68.1 | -44.9 | 176.7 | -69.7 | 172 | 0 | 0 | 0 | 111.6 | I458 I461 T520 V530 K531 L532 L536 L537 I538 | I458-L534 HydrophobicContact CG1-CD1 4.36Å; I458-L534 HydrophobicContact CG1-CD2 4.25Å; I458-L534 HydrophobicContact CG2-CD2 4.39Å; I461-L534 HydrophobicContact CB-CD1 4.44Å; I461-L534 HydrophobicContact CG1-CD1 4.3Å; I461-L534 HydrophobicContact CG2-CB 4.49Å; I461-L534 HydrophobicContact CG2-CD2 4.26Å; T520-L534 HydrophobicContact CG2-CB 4.39Å; V530-L534 HydrophobicContact CG1-CD1 4.28Å; V530-L534 WeakPolarHBondContact O-CG 3.47Å; V530-L534 PolarHBondContact O-N 3Å; V530-L534 VanDerWaalsContact O-N 3.08Å; K531-L534 PolarHBondContact O-N 3.01Å; L532-L534 VanDerWaalsContact C-N 3.33Å; L532-L534 PolarHBondContact O-N 3.13Å; L534-L536 VanDerWaalsContact C-N 3.34Å; L534-L536 PolarHBondContact O-N 3.16Å; L534-L537 WeakPolarHBondContact O-CB 3.3Å; L534-L537 PolarHBondContact O-N 3.46Å; L534-I538 VanDerWaalsContact O-CG1 3.27Å; L534-I538 WeakPolarHBondContact O-CG1 3.42Å; L534-I538 PolarHBondContact O-N 2.89Å |
| 535 | M | 92.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.9 | -39.1 | 177.7 | -72.6 | 175.2 | 177.7 | 0 | 0 | 112.6 | L517 T520 T521 K531 L532 T539 M584 F587 | L517-M535 HydrophobicContact CD2-CB 3.96Å; L517-M535 HydrophobicContact CD2-CG 3.99Å; T520-M535 WeakPolarHBondContact OG1-CE 3.46Å; T520-M535 WeakPolarHBondContact OG1-CG 3.23Å; T521-M535 HydrophobicContact CG2-CE 3.49Å; T521-M535 VanDerWaalsContact CG2-CE 3.49Å; K531-M535 WeakPolarHBondContact O-CB 3.2Å; K531-M535 VanDerWaalsContact O-CG 3.23Å; K531-M535 WeakPolarHBondContact O-CG 3.35Å; K531-M535 PolarHBondContact O-N 3.46Å; L532-M535 PolarHBondContact O-N 3.43Å; M535-T539 WeakPolarHBondContact O-CB 3.24Å; M535-T539 PolarHBondContact O-N 3.36Å; M535-T539 PolarHBondContact O-OG1 3.16Å; M535-M584 HydrophobicContact CB-CG 3.82Å; M535-F587 HydrophobicContact CE-CB 3.97Å; M535-F587 HydrophobicContact SD-CB 4.44Å |
| 536 | L | 93.8 | Very high | 89.7 | Confident | 83 Ų | 83 | 31.8 Ų | 31.8 | 44% | 0.435 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -65.3 | -42.3 | 174.2 | -74.6 | 171.7 | 0 | 0 | 0 | 111.4 | L532 L534 T539 A540 M584 | L532-L536 HydrophobicContact CD1-CD1 4.01Å; L532-L536 HydrophobicContact CD1-CG 4.03Å; L532-L536 HydrophobicContact CG-CD1 3.92Å; L532-L536 HydrophobicContact CG-CG 4.37Å; L532-L536 WeakPolarHBondContact O-CB 3.5Å; L532-L536 VanDerWaalsContact O-CG 3.26Å; L532-L536 WeakPolarHBondContact O-CG 3.44Å; L532-L536 PolarHBondContact O-N 3.38Å; L534-L536 VanDerWaalsContact C-N 3.34Å; L534-L536 PolarHBondContact O-N 3.16Å; L536-T539 PolarHBondContact O-N 2.97Å; L536-A540 WeakPolarHBondContact O-CB 3.16Å; L536-A540 PolarHBondContact O-N 3.46Å; L536-M584 HydrophobicContact CD2-CE 3.88Å; L536-M584 HydrophobicContact CD2-SD 4.41Å |
| 537 | L | 92.3 | Very high | 90 | Very high | 91 Ų | 91 | 33.9 Ų | 33.9 | 48% | 0.476 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -59 | -49.5 | 176.1 | -176.7 | 70.4 | 0 | 0 | 0 | 111 | T533 L534 T539 A540 T541 | T533-L537 WeakPolarHBondContact O-CB 3.44Å; T533-L537 PolarHBondContact O-N 2.7Å; L534-L537 WeakPolarHBondContact O-CB 3.3Å; L534-L537 PolarHBondContact O-N 3.46Å; L537-T539 PolarHBondContact O-N 3.33Å; L537-A540 PolarHBondContact O-N 2.98Å; L537-T541 HydrophobicContact CD1-CG2 4.29Å; L537-T541 WeakPolarHBondContact O-CG2 3.37Å; L537-T541 PolarHBondContact O-N 2.96Å; L537-T541 PolarHBondContact O-OG1 3.01Å |
| 538 | I | 91.6 | Very high | 90.1 | Very high | 4 Ų | 4 | 41.4 Ų | 41.4 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.6 | -48.8 | 178.5 | -65.6 | 174 | 0 | 0 | 0 | 111.1 | I461 T465 A516 L517 T520 L534 A540 T541 T542 | I461-I538 HydrophobicContact CG2-CD1 3.9Å; T465-I538 HydrophobicContact CG2-CD1 3.62Å; T465-I538 HydrophobicContact CG2-CG1 3.41Å; T465-I538 VanDerWaalsContact CG2-CG1 3.41Å; A516-I538 HydrophobicContact CB-CD1 4.37Å; A516-I538 HydrophobicContact CB-CG2 4.39Å; L517-I538 HydrophobicContact CD2-CB 4.06Å; L517-I538 HydrophobicContact CD2-CD1 4.38Å; L517-I538 HydrophobicContact CD2-CG2 3.95Å; L517-I538 HydrophobicContact CG-CG2 4.22Å; T520-I538 HydrophobicContact CG2-CD1 3.66Å; L534-I538 VanDerWaalsContact O-CG1 3.27Å; L534-I538 WeakPolarHBondContact O-CG1 3.42Å; L534-I538 PolarHBondContact O-N 2.89Å; I538-A540 VanDerWaalsContact C-N 3.33Å; I538-A540 PolarHBondContact O-N 3.3Å; I538-T541 PolarHBondContact O-OG1 3.1Å; I538-T542 HydrophobicContact CG2-CG2 4.4Å; I538-T542 WeakPolarHBondContact O-CB 3.49Å; I538-T542 VanDerWaalsContact O-CG2 3.26Å; I538-T542 WeakPolarHBondContact O-CG2 3.37Å; I538-T542 PolarHBondContact O-N 3.02Å; I538-T542 PolarHBondContact O-OG1 3.32Å |
| 539 | T | 92.7 | Very high | 90 | Very high | 17 Ų | 17 | 44.4 Ų | 44.4 | 10% | 0.104 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.7 | -38.4 | -178 | -53.9 | 0 | 0 | 0 | 0 | 111.3 | M535 L536 L537 T542 G543 I580 F581 | M535-T539 WeakPolarHBondContact O-CB 3.24Å; M535-T539 PolarHBondContact O-N 3.36Å; M535-T539 PolarHBondContact O-OG1 3.16Å; L536-T539 PolarHBondContact O-N 2.97Å; L537-T539 PolarHBondContact O-N 3.33Å; T539-T542 PolarHBondContact O-OG1 3.25Å; T539-G543 WeakPolarHBondContact O-CA 3.31Å; T539-G543 PolarHBondContact O-N 3.35Å; T539-I580 HydrophobicContact CG2-CG2 3.98Å; T539-F581 HydrophobicContact CG2-CB 4.36Å; T539-F581 HydrophobicContact CG2-CD2 4.41Å |
| 540 | A | 92.2 | Very high | 89.8 | Confident | 51 Ų | 51 | 41.9 Ų | 41.9 | 42% | 0.421 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -69.9 | -47.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | L536 L537 I538 G543 I544 | L536-A540 WeakPolarHBondContact O-CB 3.16Å; L536-A540 PolarHBondContact O-N 3.46Å; L537-A540 PolarHBondContact O-N 2.98Å; I538-A540 VanDerWaalsContact C-N 3.33Å; I538-A540 PolarHBondContact O-N 3.3Å; A540-G543 PolarHBondContact O-N 2.68Å; A540-I544 WeakPolarHBondContact O-CB 3.47Å; A540-I544 WeakPolarHBondContact O-CD1 3.47Å; A540-I544 WeakPolarHBondContact O-CG1 3.41Å; A540-I544 PolarHBondContact O-N 3.38Å |
| 541 | T | 90.7 | Very high | 89.5 | Confident | 38 Ų | 38 | 45.3 Ų | 45.3 | 23% | 0.233 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.5 | -47.6 | -179.3 | 54.3 | 0 | 0 | 0 | 0 | 111.4 | L469 L537 I538 G543 I544 V545 | L469-T541 HydrophobicContact CD1-CG2 4.42Å; L537-T541 HydrophobicContact CD1-CG2 4.29Å; L537-T541 WeakPolarHBondContact O-CG2 3.37Å; L537-T541 PolarHBondContact O-N 2.96Å; L537-T541 PolarHBondContact O-OG1 3.01Å; I538-T541 PolarHBondContact O-OG1 3.1Å; T541-G543 VanDerWaalsContact C-N 3.32Å; T541-G543 PolarHBondContact O-N 3.04Å; T541-I544 PolarHBondContact O-N 2.91Å; T541-V545 WeakPolarHBondContact O-CG2 3.39Å; T541-V545 PolarHBondContact O-N 3.1Å; T541-V545 VanDerWaalsContact O-N 3.08Å |
| 542 | T | 88.6 | Confident | 89 | Confident | 5 Ų | 5 | 49.9 Ų | 49.9 | 3% | 0.031 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.7 | -36.2 | 176 | 57.9 | 0 | 0 | 0 | 0 | 112 | M472 A513 I538 T539 V545 N546 | M472-T542 HydrophobicContact CE-CG2 3.78Å; A513-T542 HydrophobicContact CB-CG2 3.69Å; I538-T542 HydrophobicContact CG2-CG2 4.4Å; I538-T542 WeakPolarHBondContact O-CB 3.49Å; I538-T542 VanDerWaalsContact O-CG2 3.26Å; I538-T542 WeakPolarHBondContact O-CG2 3.37Å; I538-T542 PolarHBondContact O-N 3.02Å; I538-T542 PolarHBondContact O-OG1 3.32Å; T539-T542 PolarHBondContact O-OG1 3.25Å; T542-V545 PolarHBondContact O-N 2.72Å; T542-N546 WeakPolarHBondContact O-CB 3.42Å; T542-N546 PolarHBondContact O-N 3.17Å |
| 543 | G | 89.6 | Confident | 88.4 | Confident | 11 Ų | 11 | 48.2 Ų | 48.2 | 11% | 0.113 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.3 | -43.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | T539 A540 T541 N546 I547 | T539-G543 WeakPolarHBondContact O-CA 3.31Å; T539-G543 PolarHBondContact O-N 3.35Å; A540-G543 PolarHBondContact O-N 2.68Å; T541-G543 VanDerWaalsContact C-N 3.32Å; T541-G543 PolarHBondContact O-N 3.04Å; G543-N546 PolarHBondContact O-N 2.95Å; G543-I547 WeakPolarHBondContact O-CB 3.44Å; G543-I547 VanDerWaalsContact O-CG1 3.29Å; G543-I547 WeakPolarHBondContact O-CG1 3.33Å; G543-I547 PolarHBondContact O-N 3.46Å |
| 544 | I | 90.8 | Very high | 88 | Confident | 96 Ų | 96 | 44.1 Ų | 44.1 | 49% | 0.492 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.8 | -45.5 | 176.4 | -71 | 163.9 | 0 | 0 | 0 | 110.4 | A540 T541 N546 I547 Y548 | A540-I544 WeakPolarHBondContact O-CB 3.47Å; A540-I544 WeakPolarHBondContact O-CD1 3.47Å; A540-I544 WeakPolarHBondContact O-CG1 3.41Å; A540-I544 PolarHBondContact O-N 3.38Å; T541-I544 PolarHBondContact O-N 2.91Å; I544-N546 PolarHBondContact O-N 3.19Å; I544-I547 PolarHBondContact O-N 3.14Å; I544-Y548 HydrophobicContact CG2-CD2 4.02Å; I544-Y548 WeakPolarHBondContact O-CB 3.25Å; I544-Y548 WeakPolarHBondContact O-CD2 3.43Å; I544-Y548 PolarHBondContact O-N 3.43Å |
| 545 | V | 88.3 | Confident | 87.5 | Confident | 10 Ų | 10 | 45.9 Ų | 45.9 | 6% | 0.061 | 24% | 0.243 | C | C | . | . | I | π-helix | trans | -59.9 | -47.9 | 177.4 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | L469 M472 L473 T541 T542 I547 S549 W550 | L469-V545 HydrophobicContact CD2-CG2 3.88Å; M472-V545 HydrophobicContact CB-CG1 4.08Å; M472-V545 HydrophobicContact SD-CG1 4.4Å; L473-V545 HydrophobicContact CD2-CG1 4.4Å; L473-V545 HydrophobicContact CD2-CG2 4.43Å; T541-V545 WeakPolarHBondContact O-CG2 3.39Å; T541-V545 PolarHBondContact O-N 3.1Å; T541-V545 VanDerWaalsContact O-N 3.08Å; T542-V545 PolarHBondContact O-N 2.72Å; V545-I547 VanDerWaalsContact C-N 3.34Å; V545-I547 PolarHBondContact O-N 3.32Å; V545-S549 WeakPolarHBondContact O-CB 3.5Å; V545-S549 PolarHBondContact O-N 2.84Å; V545-S549 VanDerWaalsContact O-N 3.08Å; V545-W550 HydrophobicContact CG1-CG 4.28Å; V545-W550 PolarHBondContact O-N 2.83Å |
| 546 | N | 87.5 | Confident | 86.8 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | I | π-helix | trans | -61.1 | -37.7 | 178.8 | -79.1 | -10.1 | 0 | 0 | 0 | 113.6 | S510 T542 G543 I544 F554 T577 | S510-N546 PolarHBondContact OG-ND2 3.21Å; S510-N546 VanDerWaalsContact OG-ND2 3.09Å; T542-N546 WeakPolarHBondContact O-CB 3.42Å; T542-N546 PolarHBondContact O-N 3.17Å; G543-N546 PolarHBondContact O-N 2.95Å; I544-N546 PolarHBondContact O-N 3.19Å; N546-F554 HydrophobicContact CB-CE2 4.12Å; N546-T577 HydrophobicContact CB-CG2 3.47Å; N546-T577 VanDerWaalsContact CB-CG2 3.47Å |
| 547 | I | 88.1 | Confident | 86.1 | Confident | 51 Ų | 51 | 48.2 Ų | 48.2 | 26% | 0.262 | 25% | 0.251 | S | S | . | . | I | π-helix | trans | -84.6 | -39.7 | -175.1 | -67.7 | 168.5 | 0 | 0 | 0 | 112.3 | G543 I544 V545 F574 T577 | G543-I547 WeakPolarHBondContact O-CB 3.44Å; G543-I547 VanDerWaalsContact O-CG1 3.29Å; G543-I547 WeakPolarHBondContact O-CG1 3.33Å; G543-I547 PolarHBondContact O-N 3.46Å; I544-I547 PolarHBondContact O-N 3.14Å; V545-I547 VanDerWaalsContact C-N 3.34Å; V545-I547 PolarHBondContact O-N 3.32Å; I547-F574 HydrophobicContact CD1-CE1 4.37Å; I547-F574 HydrophobicContact CG1-CE1 4.37Å; I547-T577 HydrophobicContact CD1-CG2 4.45Å; I547-T577 HydrophobicContact CG1-CG2 4.24Å |
| 548 | Y | 87.7 | Confident | 85.5 | Confident | 175 Ų | 175 | 44.7 Ų | 44.7 | 69% | 0.686 | 23% | 0.232 | S | C | * | . | I | π-helix | trans | -105.1 | -57.3 | -171.2 | -67.7 | -79.1 | 0 | 0 | 0 | 112.6 | I544 | I544-Y548 HydrophobicContact CG2-CD2 4.02Å; I544-Y548 WeakPolarHBondContact O-CB 3.25Å; I544-Y548 WeakPolarHBondContact O-CD2 3.43Å; I544-Y548 PolarHBondContact O-N 3.43Å |
| 549 | S | 84.4 | Confident | 84.7 | Confident | 65 Ų | 65 | 51.1 Ų | 51.1 | 46% | 0.455 | 26% | 0.264 | S | S | . | . | I | π-helix | trans | -71.9 | -37.4 | -174.3 | -58 | 0 | 0 | 0 | 0 | 112.4 | V545 | V545-S549 WeakPolarHBondContact O-CB 3.5Å; V545-S549 PolarHBondContact O-N 2.84Å; V545-S549 VanDerWaalsContact O-N 3.08Å |
| 550 | W | 82.9 | Confident | 83.9 | Confident | 4 Ų | 4 | 54.3 Ų | 54.3 | 2% | 0.015 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 15.7 | -176.8 | -79 | 19.2 | 0 | 0 | 0 | 113.4 | M472 C475 P506 F509 V545 D552 I553 F554 | M472-W550 HydrophobicContact CB-CH2 4.28Å; M472-W550 HydrophobicContact CB-CZ2 3.8Å; M472-W550 HydrophobicContact CG-CH2 4.16Å; M472-W550 HydrophobicContact CG-CZ2 4.18Å; M472-W550 WeakPolarHBondContact O-CZ2 3.27Å; M472-W550 PolarHBondContact O-NE1 2.89Å; C475-W550 HydrophobicContact CB-CZ2 4.08Å; P506-W550 HydrophobicContact CB-CE3 4.25Å; P506-W550 HydrophobicContact CB-CZ3 3.99Å; F509-W550 HydrophobicContact CB-CH2 3.73Å; F509-W550 HydrophobicContact CB-CZ3 3.84Å; F509-W550 HydrophobicContact CD1-CH2 4.1Å; F509-W550 AromaticContact CD2-CH2 3.4Å; F509-W550 HydrophobicContact CD2-CH2 3.4Å; F509-W550 AromaticContact CD2-CZ3 3.81Å; F509-W550 HydrophobicContact CD2-CZ3 3.81Å; F509-W550 AromaticContact CE2-CH2 3.97Å; F509-W550 HydrophobicContact CE2-CH2 3.97Å; F509-W550 AromaticContact CG-CH2 3.46Å; F509-W550 HydrophobicContact CG-CH2 3.46Å; F509-W550 VanDerWaalsContact CG-CH2 3.46Å; F509-W550 AromaticContact CG-CZ3 3.98Å; F509-W550 HydrophobicContact CG-CZ3 3.98Å; V545-W550 HydrophobicContact CG1-CG 4.28Å; V545-W550 PolarHBondContact O-N 2.83Å; W550-D552 VanDerWaalsContact C-N 3.3Å; W550-D552 PolarHBondContact O-N 2.9Å; W550-I553 HydrophobicContact CD2-CD1 4.3Å; W550-I553 HydrophobicContact CG-CD1 4.1Å; W550-I553 PolarHBondContact O-N 3.18Å; W550-F554 HydrophobicContact CB-CD2 3.84Å; W550-F554 HydrophobicContact CB-CE2 3.99Å; W550-F554 HydrophobicContact CE3-CD2 4.45Å; W550-F554 AromaticContact CE3-CE2 3.71Å; W550-F554 HydrophobicContact CE3-CE2 3.71Å; W550-F554 HydrophobicContact CE3-CZ 4.13Å; W550-F554 WeakPolarHBondContact O-CD2 3.2Å; W550-F554 PolarHBondContact O-N 3.13Å |
| 551 | K | 82.3 | Confident | 82.9 | Confident | 100 Ų | 100 | 60.2 Ų | 60.2 | 44% | 0.435 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -50.6 | -51.9 | 179.3 | 175.8 | 173.6 | 169.4 | 165.5 | 0 | 111.4 | I553 F554 D555 | K551-I553 VanDerWaalsContact C-N 3.35Å; K551-I553 PolarHBondContact O-N 3.02Å; K551-F554 PolarHBondContact O-N 3.08Å; K551-D555 WeakPolarHBondContact CE-OD2 3.46Å; K551-D555 WeakPolarHBondContact CG-OD2 3.48Å; K551-D555 VanDerWaalsContact O-CB 3.26Å; K551-D555 WeakPolarHBondContact O-CB 3.3Å; K551-D555 PolarHBondContact O-N 3.4Å |
| 552 | D | 79.5 | Confident | 82 | Confident | 108 Ų | 108 | 62.1 Ų | 62.1 | 58% | 0.578 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -70.5 | -32.7 | -174.4 | -58.4 | -35 | 0 | 0 | 0 | 112.2 | W550 H556 | W550-D552 VanDerWaalsContact C-N 3.3Å; W550-D552 PolarHBondContact O-N 2.9Å; D552-H556 VanDerWaalsContact O-CB 3.26Å; D552-H556 WeakPolarHBondContact O-CB 3.43Å; D552-H556 PolarHBondContact O-N 3.42Å |
| 553 | I | 79.9 | Confident | 80.8 | Confident | 5 Ų | 5 | 69.9 Ų | 69.9 | 3% | 0.026 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -68.7 | -46.7 | 177.3 | -60.2 | 173 | 0 | 0 | 0 | 110.4 | P506 W550 K551 Y557 | P506-I553 HydrophobicContact CB-CG2 3.96Å; P506-I553 HydrophobicContact CG-CG2 4.24Å; W550-I553 HydrophobicContact CD2-CD1 4.3Å; W550-I553 HydrophobicContact CG-CD1 4.1Å; W550-I553 PolarHBondContact O-N 3.18Å; K551-I553 VanDerWaalsContact C-N 3.35Å; K551-I553 PolarHBondContact O-N 3.02Å; I553-Y557 VanDerWaalsContact O-CB 3.32Å; I553-Y557 WeakPolarHBondContact O-CB 3.07Å; I553-Y557 PolarHBondContact O-N 3.5Å |
| 554 | F | 81.8 | Confident | 79.3 | Confident | 0 Ų | 0 | 77.8 Ų | 77.8 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -69.1 | -37.5 | 176.5 | -82 | -66.5 | 0 | 0 | 0 | 112.4 | P506 N546 W550 K551 Y557 D558 K573 M576 | P506-F554 HydrophobicContact CB-CD1 4.23Å; P506-F554 HydrophobicContact CB-CE1 3.81Å; P506-F554 HydrophobicContact CB-CZ 4.04Å; P506-F554 HydrophobicContact CG-CD1 3.91Å; P506-F554 HydrophobicContact CG-CE1 3.83Å; N546-F554 HydrophobicContact CB-CE2 4.12Å; W550-F554 HydrophobicContact CB-CD2 3.84Å; W550-F554 HydrophobicContact CB-CE2 3.99Å; W550-F554 HydrophobicContact CE3-CD2 4.45Å; W550-F554 AromaticContact CE3-CE2 3.71Å; W550-F554 HydrophobicContact CE3-CE2 3.71Å; W550-F554 HydrophobicContact CE3-CZ 4.13Å; W550-F554 WeakPolarHBondContact O-CD2 3.2Å; W550-F554 PolarHBondContact O-N 3.13Å; K551-F554 PolarHBondContact O-N 3.08Å; F554-Y557 PolarHBondContact O-N 3.08Å; F554-D558 WeakPolarHBondContact O-CB 2.78Å; F554-D558 PolarHBondContact O-N 3.31Å; F554-K573 HydrophobicContact CB-CB 3.94Å; F554-K573 HydrophobicContact CD2-CB 4.01Å; F554-K573 HydrophobicContact CG-CB 4Å; F554-M576 HydrophobicContact CE1-CG 4.36Å |
| 555 | D | 81 | Confident | 77.7 | Confident | 49 Ų | 49 | 81.4 Ų | 81.4 | 26% | 0.262 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.9 | -38.5 | 177.2 | -70.6 | -14.6 | 0 | 0 | 0 | 110.6 | K551 M559 K573 | K551-D555 WeakPolarHBondContact CE-OD2 3.46Å; K551-D555 WeakPolarHBondContact CG-OD2 3.48Å; K551-D555 VanDerWaalsContact O-CB 3.26Å; K551-D555 WeakPolarHBondContact O-CB 3.3Å; K551-D555 PolarHBondContact O-N 3.4Å; D555-M559 WeakPolarHBondContact O-CB 3.35Å; D555-M559 WeakPolarHBondContact O-CG 3.18Å; D555-M559 PolarHBondContact O-N 3.31Å; D555-K573 VanDerWaalsContact CG-NZ 3.3Å; D555-K573 IonicContact OD1-NZ 3.9Å; D555-K573 PolarHBondContact OD1-NZ 2.86Å; D555-K573 IonicContact OD2-NZ 2.85Å; D555-K573 PolarHBondContact OD2-NZ 3.48Å; D555-K573 VanDerWaalsContact OD2-NZ 3.07Å |
| 556 | H | 78.2 | Confident | 76.1 | Confident | 103 Ų | 103 | 86.9 Ų | 86.9 | 48% | 0.477 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -66 | -44.3 | 171.8 | -175.8 | 74.7 | 0 | 0 | 0 | 112.5 | D552 D558 M559 V560 | D552-H556 VanDerWaalsContact O-CB 3.26Å; D552-H556 WeakPolarHBondContact O-CB 3.43Å; D552-H556 PolarHBondContact O-N 3.42Å; H556-D558 VanDerWaalsContact C-N 3.34Å; H556-D558 PolarHBondContact O-N 3.28Å; H556-M559 WeakPolarHBondContact O-CB 3.45Å; H556-M559 PolarHBondContact O-N 2.95Å; H556-V560 WeakPolarHBondContact O-CG2 3.26Å; H556-V560 PolarHBondContact O-N 2.98Å |
| 557 | Y | 78.5 | Confident | 74.5 | Confident | 29 Ų | 29 | 90.9 Ų | 90.9 | 11% | 0.114 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -60.4 | -42.5 | 176.7 | 174.4 | -92.6 | 0 | 0 | 0 | 112.2 | N504 P506 K507 I553 F554 R561 | N504-Y557 WeakPolarHBondContact O-CE2 3.3Å; P506-Y557 HydrophobicContact CG-CD1 4.33Å; P506-Y557 HydrophobicContact CG-CD2 3.91Å; P506-Y557 HydrophobicContact CG-CG 3.76Å; K507-Y557 HydrophobicContact CD-CE1 4.15Å; K507-Y557 WeakPolarHBondContact CD-OH 3.42Å; K507-Y557 VanDerWaalsContact CE-CE1 3.42Å; K507-Y557 WeakPolarHBondContact CE-OH 3.31Å; K507-Y557 HydrophobicContact CG-CE1 4.4Å; K507-Y557 PolarHBondContact NZ-OH 2.69Å; K507-Y557 VanDerWaalsContact NZ-OH 3.1Å; I553-Y557 VanDerWaalsContact O-CB 3.32Å; I553-Y557 WeakPolarHBondContact O-CB 3.07Å; I553-Y557 PolarHBondContact O-N 3.5Å; F554-Y557 PolarHBondContact O-N 3.08Å; Y557-R561 WeakPolarHBondContact O-CB 3.48Å; Y557-R561 PolarHBondContact O-N 3.24Å |
| 558 | D | 78.8 | Confident | 73 | Confident | 16 Ų | 16 | 98.4 Ų | 98.4 | 9% | 0.086 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -64.7 | -43.7 | 175 | -75.3 | -18.3 | 0 | 0 | 0 | 110.8 | F554 H556 V560 R561 F562 S572 | F554-D558 WeakPolarHBondContact O-CB 2.78Å; F554-D558 PolarHBondContact O-N 3.31Å; H556-D558 VanDerWaalsContact C-N 3.34Å; H556-D558 PolarHBondContact O-N 3.28Å; D558-V560 PolarHBondContact O-N 2.9Å; D558-R561 PolarHBondContact O-N 2.97Å; D558-F562 HydrophobicContact CB-CD2 3.93Å; D558-F562 HydrophobicContact CB-CE2 4.08Å; D558-F562 WeakPolarHBondContact O-CB 3.5Å; D558-F562 WeakPolarHBondContact O-CD2 3.24Å; D558-F562 PolarHBondContact O-N 3.45Å; D558-S572 WeakPolarHBondContact OD1-CB 3.33Å; D558-S572 PolarHBondContact OD1-OG 2.99Å; D558-S572 PolarHBondContact OD2-N 2.87Å |
| 559 | M | 76.1 | Confident | 71.8 | Confident | 139 Ų | 139 | 96.3 Ų | 96.3 | 69% | 0.685 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -58.6 | -44.9 | 176.6 | -77.5 | -67.8 | -62.1 | 0 | 0 | 113.2 | D555 H556 Q563 | D555-M559 WeakPolarHBondContact O-CB 3.35Å; D555-M559 WeakPolarHBondContact O-CG 3.18Å; D555-M559 PolarHBondContact O-N 3.31Å; H556-M559 WeakPolarHBondContact O-CB 3.45Å; H556-M559 PolarHBondContact O-N 2.95Å; M559-Q563 PolarHBondContact O-N 3.37Å |
| 560 | V | 74.7 | Confident | 71.4 | Confident | 84 Ų | 84 | 97.8 Ų | 97.8 | 51% | 0.509 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -69.6 | -36.9 | 178.3 | 174.8 | 0 | 0 | 0 | 0 | 111.1 | H556 D558 | H556-V560 WeakPolarHBondContact O-CG2 3.26Å; H556-V560 PolarHBondContact O-N 2.98Å; D558-V560 PolarHBondContact O-N 2.9Å |
| 561 | R | 71.9 | Confident | 71.5 | Confident | 175 Ų | 175 | 100 Ų | 100 | 66% | 0.66 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -76.6 | -34.2 | -177.1 | -174.7 | 59.4 | 179.4 | -174.7 | 3.8 | 113.5 | Y557 D558 | Y557-R561 WeakPolarHBondContact O-CB 3.48Å; Y557-R561 PolarHBondContact O-N 3.24Å; D558-R561 PolarHBondContact O-N 2.97Å |
| 562 | F | 71.1 | Confident | 71.5 | Confident | 78 Ų | 78 | 95.5 Ų | 95.5 | 34% | 0.342 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -100.6 | 12.1 | -175.1 | -63.5 | -67.6 | 0 | 0 | 0 | 113.7 | D558 E564 Y565 M569 | D558-F562 HydrophobicContact CB-CD2 3.93Å; D558-F562 HydrophobicContact CB-CE2 4.08Å; D558-F562 WeakPolarHBondContact O-CB 3.5Å; D558-F562 WeakPolarHBondContact O-CD2 3.24Å; D558-F562 PolarHBondContact O-N 3.45Å; F562-E564 PolarHBondContact O-N 3.35Å; F562-Y565 PolarHBondContact O-N 2.88Å; F562-M569 HydrophobicContact CE1-SD 4.04Å |
| 563 | Q | 64.9 | Low | 71.7 | Confident | 168 Ų | 168 | 91.3 Ų | 91.3 | 79% | 0.785 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -16.2 | 178.7 | -150.7 | 172.1 | -3.6 | 0 | 0 | 113.8 | M559 | M559-Q563 PolarHBondContact O-N 3.37Š|
| 564 | E | 57.1 | Low | 72.1 | Confident | 177 Ų | 177 | 95.4 Ų | 95.4 | 83% | 0.827 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.2 | -7.5 | 177.2 | -85.2 | -178.5 | 154.4 | 0 | 0 | 116 | F562 | F562-E564 PolarHBondContact O-N 3.35Š|
| 565 | Y | 57.4 | Low | 72.4 | Confident | 172 Ų | 172 | 98.2 Ų | 98.2 | 68% | 0.675 | 49% | 0.491 | S | S | * | . | trans | -130.9 | 116 | -173.5 | -77.8 | -91.4 | 0 | 0 | 0 | 113.3 | F562 S567 | F562-Y565 PolarHBondContact O-N 2.88Å; Y565-S567 PolarHBondContact O-N 3.24Å | ||
| 566 | S | 53.6 | Low | 72.7 | Confident | 125 Ų | 125 | 96.4 Ų | 96.4 | 87% | 0.874 | 48% | 0.481 | S | S | * | . | trans | -87 | 64.7 | 176.9 | 50.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 567 | S | 54.3 | Low | 73.3 | Confident | 85 Ų | 85 | 92.4 Ų | 92.4 | 59% | 0.594 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -135.6 | 139.2 | 174.4 | -63.3 | 0 | 0 | 0 | 0 | 112 | Y565 M569 | Y565-S567 PolarHBondContact O-N 3.24Å; S567-M569 PolarHBondContact O-N 2.93Å |
| 568 | E | 57 | Low | 73.9 | Confident | 209 Ų | 209 | 94.9 Ų | 94.9 | 98% | 0.977 | 48% | 0.482 | S | S | * | . | trans | -66 | 89.9 | 176.6 | -67 | -179.1 | 169.7 | 0 | 0 | 110.3 | ||||
| 569 | M | 62.9 | Low | 74.5 | Confident | 132 Ų | 132 | 96.5 Ų | 96.5 | 65% | 0.65 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -102.3 | 152.3 | 172.1 | -76.5 | -174.3 | -172.7 | 0 | 0 | 111.5 | F562 S567 | F562-M569 HydrophobicContact CE1-SD 4.04Å; S567-M569 PolarHBondContact O-N 2.93Å |
| 570 | V | 76.5 | Confident | 75.2 | Confident | 96 Ų | 96 | 90 Ų | 90 | 58% | 0.582 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 129.5 | 177 | -179.3 | 0 | 0 | 0 | 0 | 109.6 | F574 T575 | V570-F574 HydrophobicContact CG1-CB 3.99Å; V570-T575 HydrophobicContact CB-CG2 4.01Å; V570-T575 HydrophobicContact CG1-CG2 3.82Å |
| 571 | P | 83.9 | Confident | 76.2 | Confident | 49 Ų | 49 | 91.2 Ų | 91.2 | 32% | 0.318 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -57 | 141.1 | 179.7 | -25.8 | 33.1 | 0 | 0 | 0 | 113.2 | K573 F574 T575 | P571-K573 HydrophobicContact CB-CG 4.03Å; P571-K573 PolarHBondContact O-N 2.85Å; P571-K573 VanDerWaalsContact O-N 3.12Å; P571-F574 HydrophobicContact CB-CD2 3.98Å; P571-F574 HydrophobicContact CG-CD2 4.05Å; P571-F574 HydrophobicContact CG-CE2 4.39Å; P571-F574 PolarHBondContact O-N 3.24Å; P571-T575 PolarHBondContact O-N 2.79Å |
| 572 | S | 82.8 | Confident | 77.2 | Confident | 6 Ų | 6 | 87.5 Ų | 87.5 | 4% | 0.042 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -58.2 | -31.5 | -175.3 | -74.2 | 0 | 0 | 0 | 0 | 112.9 | D558 F574 T575 M576 | D558-S572 WeakPolarHBondContact OD1-CB 3.33Å; D558-S572 PolarHBondContact OD1-OG 2.99Å; D558-S572 PolarHBondContact OD2-N 2.87Å; S572-F574 VanDerWaalsContact C-N 3.27Å; S572-F574 PolarHBondContact O-N 3.03Å; S572-T575 VanDerWaalsContact CA-OG1 3.3Å; S572-T575 WeakPolarHBondContact CA-OG1 3.47Å; S572-T575 PolarHBondContact O-N 3.18Å; S572-T575 PolarHBondContact O-OG1 3.34Å; S572-M576 VanDerWaalsContact O-CG 3.27Å; S572-M576 WeakPolarHBondContact O-CG 3.32Å; S572-M576 PolarHBondContact O-N 3.39Å |
| 573 | K | 83.9 | Confident | 78.3 | Confident | 21 Ų | 21 | 86.8 Ų | 86.8 | 9% | 0.091 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -58.4 | -35.4 | 174.7 | 63.4 | -166.8 | 175.3 | -155.2 | 0 | 113.3 | F554 D555 P571 T577 | F554-K573 HydrophobicContact CB-CB 3.94Å; F554-K573 HydrophobicContact CD2-CB 4.01Å; F554-K573 HydrophobicContact CG-CB 4Å; D555-K573 VanDerWaalsContact CG-NZ 3.3Å; D555-K573 IonicContact OD1-NZ 3.9Å; D555-K573 PolarHBondContact OD1-NZ 2.86Å; D555-K573 IonicContact OD2-NZ 2.85Å; D555-K573 PolarHBondContact OD2-NZ 3.48Å; D555-K573 VanDerWaalsContact OD2-NZ 3.07Å; P571-K573 HydrophobicContact CB-CG 4.03Å; P571-K573 PolarHBondContact O-N 2.85Å; P571-K573 VanDerWaalsContact O-N 3.12Å; K573-T577 VanDerWaalsContact O-CG2 3.27Å; K573-T577 WeakPolarHBondContact O-CG2 3.45Å; K573-T577 PolarHBondContact O-OG1 3.38Å |
| 574 | F | 87.6 | Confident | 79.7 | Confident | 91 Ų | 91 | 79.1 Ų | 79.1 | 40% | 0.399 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -82.3 | -36.8 | 175.7 | -65.9 | -65.5 | 0 | 0 | 0 | 111.6 | I547 V570 P571 S572 T577 V578 | I547-F574 HydrophobicContact CD1-CE1 4.37Å; I547-F574 HydrophobicContact CG1-CE1 4.37Å; V570-F574 HydrophobicContact CG1-CB 3.99Å; P571-F574 HydrophobicContact CB-CD2 3.98Å; P571-F574 HydrophobicContact CG-CD2 4.05Å; P571-F574 HydrophobicContact CG-CE2 4.39Å; P571-F574 PolarHBondContact O-N 3.24Å; S572-F574 VanDerWaalsContact C-N 3.27Å; S572-F574 PolarHBondContact O-N 3.03Å; F574-T577 WeakPolarHBondContact CA-OG1 3.42Å; F574-T577 PolarHBondContact O-N 3.44Å; F574-T577 PolarHBondContact O-OG1 3.02Å; F574-V578 WeakPolarHBondContact O-CB 3.44Å; F574-V578 WeakPolarHBondContact O-CG2 3.25Å; F574-V578 PolarHBondContact O-N 3.04Å |
| 575 | T | 88.2 | Confident | 81.4 | Confident | 58 Ų | 58 | 73 Ų | 73 | 36% | 0.356 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -66.5 | -40.9 | 179.2 | 65.1 | 0 | 0 | 0 | 0 | 112.2 | V570 P571 S572 M579 | V570-T575 HydrophobicContact CB-CG2 4.01Å; V570-T575 HydrophobicContact CG1-CG2 3.82Å; P571-T575 PolarHBondContact O-N 2.79Å; S572-T575 VanDerWaalsContact CA-OG1 3.3Å; S572-T575 WeakPolarHBondContact CA-OG1 3.47Å; S572-T575 PolarHBondContact O-N 3.18Å; S572-T575 PolarHBondContact O-OG1 3.34Å; T575-M579 WeakPolarHBondContact O-CB 3.49Å; T575-M579 PolarHBondContact O-N 3.02Å |
| 576 | M | 87.6 | Confident | 83.1 | Confident | 12 Ų | 12 | 67.8 Ų | 67.8 | 6% | 0.059 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -70.8 | -36.9 | 179.4 | -60.7 | -54.1 | -80.4 | 0 | 0 | 111.9 | K507 F511 F554 S572 M579 I580 | K507-M576 HydrophobicContact CB-CE 3.5Å; K507-M576 HydrophobicContact CB-SD 4.41Å; K507-M576 HydrophobicContact CD-CE 4.27Å; K507-M576 HydrophobicContact CD-SD 4.17Å; K507-M576 HydrophobicContact CG-CE 3.68Å; K507-M576 HydrophobicContact CG-CG 4.28Å; K507-M576 HydrophobicContact CG-SD 3.92Å; K507-M576 WeakPolarHBondContact O-CE 3.47Å; F511-M576 HydrophobicContact CE1-CE 4.29Å; F511-M576 HydrophobicContact CE2-CE 4.42Å; F511-M576 HydrophobicContact CZ-CE 4.08Å; F554-M576 HydrophobicContact CE1-CG 4.36Å; S572-M576 VanDerWaalsContact O-CG 3.27Å; S572-M576 WeakPolarHBondContact O-CG 3.32Å; S572-M576 PolarHBondContact O-N 3.39Å; M576-M579 HydrophobicContact CE-CE 3.9Å; M576-M579 HydrophobicContact CE-SD 4.49Å; M576-M579 WeakPolarHBondContact O-CB 3.15Å; M576-M579 PolarHBondContact O-N 3.32Å; M576-I580 WeakPolarHBondContact O-CG1 3.41Å; M576-I580 PolarHBondContact O-N 3.38Å; M576-I580 VanDerWaalsContact O-N 3.09Å |
| 577 | T | 90.1 | Very high | 85 | Confident | 19 Ų | 19 | 63.8 Ų | 63.8 | 12% | 0.117 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -69.3 | -39.6 | 175.2 | 48.2 | 0 | 0 | 0 | 0 | 112.5 | N546 I547 K573 F574 M579 I580 F581 | N546-T577 HydrophobicContact CB-CG2 3.47Å; N546-T577 VanDerWaalsContact CB-CG2 3.47Å; I547-T577 HydrophobicContact CD1-CG2 4.45Å; I547-T577 HydrophobicContact CG1-CG2 4.24Å; K573-T577 VanDerWaalsContact O-CG2 3.27Å; K573-T577 WeakPolarHBondContact O-CG2 3.45Å; K573-T577 PolarHBondContact O-OG1 3.38Å; F574-T577 WeakPolarHBondContact CA-OG1 3.42Å; F574-T577 PolarHBondContact O-N 3.44Å; F574-T577 PolarHBondContact O-OG1 3.02Å; T577-M579 VanDerWaalsContact C-N 3.33Å; T577-M579 PolarHBondContact O-N 2.92Å; T577-I580 PolarHBondContact O-N 2.68Å; T577-F581 PolarHBondContact O-N 3.13Å |
| 578 | V | 91.3 | Very high | 86.7 | Confident | 81 Ų | 81 | 61.4 Ų | 61.4 | 49% | 0.491 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.4 | -39.8 | 171.5 | 169.8 | 0 | 0 | 0 | 0 | 111.2 | F574 F581 I582 | F574-V578 WeakPolarHBondContact O-CB 3.44Å; F574-V578 WeakPolarHBondContact O-CG2 3.25Å; F574-V578 PolarHBondContact O-N 3.04Å; V578-F581 WeakPolarHBondContact O-CB 3.4Å; V578-F581 PolarHBondContact O-N 3.42Å; V578-I582 HydrophobicContact CG1-CD1 3.83Å; V578-I582 HydrophobicContact CG1-CG1 4.37Å; V578-I582 WeakPolarHBondContact O-CG1 3.38Å; V578-I582 PolarHBondContact O-N 2.99Å |
| 579 | M | 91.9 | Very high | 88.3 | Confident | 49 Ų | 49 | 58.2 Ų | 58.2 | 24% | 0.241 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.1 | -48.3 | 175.6 | -178.7 | -164.5 | 70.6 | 0 | 0 | 112 | F511 V514 T575 M576 T577 F581 I582 M583 | F511-M579 HydrophobicContact CD1-CE 3.74Å; F511-M579 HydrophobicContact CD1-SD 4.27Å; F511-M579 HydrophobicContact CE1-CE 3.63Å; F511-M579 HydrophobicContact CE1-SD 3.62Å; V514-M579 HydrophobicContact CG2-CE 4.39Å; T575-M579 WeakPolarHBondContact O-CB 3.49Å; T575-M579 PolarHBondContact O-N 3.02Å; M576-M579 HydrophobicContact CE-CE 3.9Å; M576-M579 HydrophobicContact CE-SD 4.49Å; M576-M579 WeakPolarHBondContact O-CB 3.15Å; M576-M579 PolarHBondContact O-N 3.32Å; T577-M579 VanDerWaalsContact C-N 3.33Å; T577-M579 PolarHBondContact O-N 2.92Å; M579-F581 VanDerWaalsContact C-N 3.27Å; M579-F581 PolarHBondContact O-N 3.09Å; M579-I582 PolarHBondContact O-N 3.06Å; M579-M583 WeakPolarHBondContact O-CG 3.35Å; M579-M583 PolarHBondContact O-N 2.89Å |
| 580 | I | 91.6 | Very high | 89.6 | Confident | 2 Ų | 2 | 57.1 Ų | 57.1 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.7 | -40.9 | 177.1 | -63.8 | 167.6 | 0 | 0 | 0 | 110.3 | A513 V514 L517 T539 M576 T577 M583 M584 | A513-I580 HydrophobicContact CB-CD1 4.07Å; V514-I580 HydrophobicContact CG2-CG1 4.26Å; L517-I580 HydrophobicContact CD1-CG2 3.88Å; T539-I580 HydrophobicContact CG2-CG2 3.98Å; M576-I580 WeakPolarHBondContact O-CG1 3.41Å; M576-I580 PolarHBondContact O-N 3.38Å; M576-I580 VanDerWaalsContact O-N 3.09Å; T577-I580 PolarHBondContact O-N 2.68Å; I580-M583 PolarHBondContact O-N 2.82Å; I580-M584 WeakPolarHBondContact O-CB 3.39Å; I580-M584 PolarHBondContact O-N 3.02Å |
| 581 | F | 93.8 | Very high | 90.1 | Very high | 111 Ų | 111 | 52.9 Ų | 52.9 | 49% | 0.487 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.8 | -44.6 | 176.4 | -177.8 | -98.4 | 0 | 0 | 0 | 112.9 | T539 T577 V578 M579 M583 M584 V585 | T539-F581 HydrophobicContact CG2-CB 4.36Å; T539-F581 HydrophobicContact CG2-CD2 4.41Å; T577-F581 PolarHBondContact O-N 3.13Å; V578-F581 WeakPolarHBondContact O-CB 3.4Å; V578-F581 PolarHBondContact O-N 3.42Å; M579-F581 VanDerWaalsContact C-N 3.27Å; M579-F581 PolarHBondContact O-N 3.09Å; F581-M583 VanDerWaalsContact C-N 3.34Å; F581-M583 PolarHBondContact O-N 3.12Å; F581-M584 HydrophobicContact CD2-CE 3.65Å; F581-M584 HydrophobicContact CE2-CE 3.59Å; F581-M584 HydrophobicContact CZ-CE 4.4Å; F581-M584 WeakPolarHBondContact O-CB 3.38Å; F581-M584 PolarHBondContact O-N 2.88Å; F581-V585 HydrophobicContact CD1-CG2 4.46Å; F581-V585 HydrophobicContact CE1-CG2 4.07Å; F581-V585 HydrophobicContact CZ-CG2 4.17Å; F581-V585 WeakPolarHBondContact O-CG2 3.43Å; F581-V585 PolarHBondContact O-N 3.32Å |
| 582 | I | 94.3 | Very high | 90.2 | Very high | 96 Ų | 96 | 54.2 Ų | 54.2 | 49% | 0.492 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.7 | -42.6 | 176.5 | -68.1 | 167.9 | 0 | 0 | 0 | 111 | V578 M579 V585 S586 | V578-I582 HydrophobicContact CG1-CD1 3.83Å; V578-I582 HydrophobicContact CG1-CG1 4.37Å; V578-I582 WeakPolarHBondContact O-CG1 3.38Å; V578-I582 PolarHBondContact O-N 2.99Å; M579-I582 PolarHBondContact O-N 3.06Å; I582-V585 PolarHBondContact O-N 3.2Å; I582-S586 PolarHBondContact O-N 3Å; I582-S586 VanDerWaalsContact O-N 3.08Å; I582-S586 PolarHBondContact O-OG 2.9Å |
| 583 | M | 93.3 | Very high | 90.3 | Very high | 64 Ų | 64 | 58.8 Ų | 58.8 | 32% | 0.315 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.5 | -41.5 | 176.2 | -69.6 | -57.8 | -64.6 | 0 | 0 | 111.6 | V514 M579 I580 F581 V585 S586 F587 | V514-M583 HydrophobicContact CG1-CB 4.48Å; V514-M583 HydrophobicContact CG1-CE 4.09Å; V514-M583 HydrophobicContact CG1-CG 4.42Å; V514-M583 HydrophobicContact CG2-CG 4.44Å; M579-M583 WeakPolarHBondContact O-CG 3.35Å; M579-M583 PolarHBondContact O-N 2.89Å; I580-M583 PolarHBondContact O-N 2.82Å; F581-M583 VanDerWaalsContact C-N 3.34Å; F581-M583 PolarHBondContact O-N 3.12Å; M583-V585 PolarHBondContact O-N 2.86Å; M583-S586 PolarHBondContact O-N 2.95Å; M583-F587 HydrophobicContact CB-CE2 4.39Å; M583-F587 HydrophobicContact CE-CE2 3.66Å; M583-F587 HydrophobicContact CE-CZ 3.71Å; M583-F587 WeakPolarHBondContact O-CD2 3.29Å; M583-F587 PolarHBondContact O-N 3.05Å |
| 584 | M | 94.3 | Very high | 90.2 | Very high | 7 Ų | 7 | 60.2 Ų | 60.2 | 3% | 0.034 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.3 | -48.5 | 174.8 | 178.2 | -83 | -65 | 0 | 0 | 111.8 | L517 L532 M535 L536 I580 F581 S586 F587 Y588 | L517-M584 HydrophobicContact CD1-CB 4.07Å; L532-M584 HydrophobicContact CD1-SD 4.48Å; M535-M584 HydrophobicContact CB-CG 3.82Å; L536-M584 HydrophobicContact CD2-CE 3.88Å; L536-M584 HydrophobicContact CD2-SD 4.41Å; I580-M584 WeakPolarHBondContact O-CB 3.39Å; I580-M584 PolarHBondContact O-N 3.02Å; F581-M584 HydrophobicContact CD2-CE 3.65Å; F581-M584 HydrophobicContact CE2-CE 3.59Å; F581-M584 HydrophobicContact CZ-CE 4.4Å; F581-M584 WeakPolarHBondContact O-CB 3.38Å; F581-M584 PolarHBondContact O-N 2.88Å; M584-S586 VanDerWaalsContact C-N 3.3Å; M584-S586 PolarHBondContact O-N 3.44Å; M584-F587 PolarHBondContact O-N 2.79Å; M584-Y588 WeakPolarHBondContact O-CB 3.43Å; M584-Y588 PolarHBondContact O-N 3.34Å |
| 585 | V | 93.8 | Very high | 89.9 | Confident | 48 Ų | 48 | 56.9 Ų | 56.9 | 29% | 0.291 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.7 | -43.3 | 178.5 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | F581 I582 M583 Y588 Y589 | F581-V585 HydrophobicContact CD1-CG2 4.46Å; F581-V585 HydrophobicContact CE1-CG2 4.07Å; F581-V585 HydrophobicContact CZ-CG2 4.17Å; F581-V585 WeakPolarHBondContact O-CG2 3.43Å; F581-V585 PolarHBondContact O-N 3.32Å; I582-V585 PolarHBondContact O-N 3.2Å; M583-V585 PolarHBondContact O-N 2.86Å; V585-Y588 PolarHBondContact O-N 2.91Å; V585-Y589 HydrophobicContact CG1-CD2 3.76Å; V585-Y589 HydrophobicContact CG1-CE2 3.53Å; V585-Y589 WeakPolarHBondContact O-CD2 3.42Å; V585-Y589 PolarHBondContact O-N 2.83Å |
| 586 | S | 92.8 | Very high | 89.6 | Confident | 63 Ų | 63 | 60.2 Ų | 60.2 | 44% | 0.441 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.4 | -47.3 | 178.3 | -58.1 | 0 | 0 | 0 | 0 | 112 | I582 M583 M584 Y588 Y589 F590 | I582-S586 PolarHBondContact O-N 3Å; I582-S586 VanDerWaalsContact O-N 3.08Å; I582-S586 PolarHBondContact O-OG 2.9Å; M583-S586 PolarHBondContact O-N 2.95Å; M584-S586 VanDerWaalsContact C-N 3.3Å; M584-S586 PolarHBondContact O-N 3.44Å; S586-Y588 PolarHBondContact O-N 2.98Å; S586-Y589 PolarHBondContact O-N 2.86Å; S586-F590 PolarHBondContact O-N 3.37Å |
| 587 | F | 92.3 | Very high | 89.1 | Confident | 40 Ų | 40 | 62.2 Ų | 62.2 | 18% | 0.175 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -69.4 | -30.1 | 177.6 | -72.5 | -46 | 0 | 0 | 0 | 113.7 | V514 L517 I518 T521 M535 M583 M584 S591 | V514-F587 HydrophobicContact CG1-CE2 4.23Å; L517-F587 HydrophobicContact CB-CD2 4.12Å; L517-F587 HydrophobicContact CB-CE2 4.44Å; I518-F587 HydrophobicContact CD1-CE2 4.48Å; I518-F587 HydrophobicContact CD1-CZ 4.03Å; I518-F587 HydrophobicContact CG1-CE1 4.12Å; I518-F587 HydrophobicContact CG1-CE2 3.69Å; I518-F587 HydrophobicContact CG1-CZ 3.39Å; T521-F587 HydrophobicContact CG2-CB 3.64Å; T521-F587 HydrophobicContact CG2-CD1 3.83Å; T521-F587 HydrophobicContact CG2-CG 3.82Å; M535-F587 HydrophobicContact CE-CB 3.97Å; M535-F587 HydrophobicContact SD-CB 4.44Å; M583-F587 HydrophobicContact CB-CE2 4.39Å; M583-F587 HydrophobicContact CE-CE2 3.66Å; M583-F587 HydrophobicContact CE-CZ 3.71Å; M583-F587 WeakPolarHBondContact O-CD2 3.29Å; M583-F587 PolarHBondContact O-N 3.05Å; M584-F587 PolarHBondContact O-N 2.79Å; F587-S591 VanDerWaalsContact O-CB 3.31Å; F587-S591 WeakPolarHBondContact O-CB 3.26Å; F587-S591 PolarHBondContact O-N 3.34Å; F587-S591 PolarHBondContact O-OG 2.87Å |
| 588 | Y | 91.7 | Very high | 88.5 | Confident | 35 Ų | 35 | 62 Ų | 62 | 14% | 0.137 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64 | -48.6 | 171 | 166.9 | -106.2 | 0 | 0 | 0 | 111.3 | M529 L532 M584 V585 S586 F590 S591 R592 | M529-Y588 HydrophobicContact CE-CE2 4.27Å; L532-Y588 HydrophobicContact CB-CD2 3.97Å; L532-Y588 HydrophobicContact CB-CE2 4.02Å; L532-Y588 HydrophobicContact CD1-CD2 3.69Å; L532-Y588 HydrophobicContact CD1-CE2 4.04Å; L532-Y588 HydrophobicContact CD1-CG 4.1Å; L532-Y588 HydrophobicContact CD2-CD2 4.36Å; L532-Y588 HydrophobicContact CD2-CE2 3.85Å; L532-Y588 HydrophobicContact CG-CD2 4.21Å; L532-Y588 HydrophobicContact CG-CE2 4.18Å; M584-Y588 WeakPolarHBondContact O-CB 3.43Å; M584-Y588 PolarHBondContact O-N 3.34Å; V585-Y588 PolarHBondContact O-N 2.91Å; S586-Y588 PolarHBondContact O-N 2.98Å; Y588-F590 VanDerWaalsContact C-N 3.32Å; Y588-F590 PolarHBondContact O-N 3.05Å; Y588-S591 PolarHBondContact O-N 3.47Å; Y588-R592 WeakPolarHBondContact O-CB 3.3Å; Y588-R592 PolarHBondContact O-N 3.49Å |
| 589 | Y | 90.7 | Very high | 88.1 | Confident | 143 Ų | 143 | 58.7 Ų | 58.7 | 56% | 0.561 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -59.8 | -43.8 | 176.7 | -83.3 | -66.7 | 0 | 0 | 0 | 111.7 | V585 S586 R592 H593 | V585-Y589 HydrophobicContact CG1-CD2 3.76Å; V585-Y589 HydrophobicContact CG1-CE2 3.53Å; V585-Y589 WeakPolarHBondContact O-CD2 3.42Å; V585-Y589 PolarHBondContact O-N 2.83Å; S586-Y589 PolarHBondContact O-N 2.86Å; Y589-R592 PolarHBondContact O-N 2.95Å; Y589-H593 WeakPolarHBondContact O-CB 3.25Å; Y589-H593 PolarHBondContact O-N 3.34Å |
| 590 | F | 88.9 | Confident | 87.3 | Confident | 109 Ų | 109 | 58.5 Ų | 58.5 | 48% | 0.478 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.8 | -47.6 | 174.8 | -179.6 | -104.8 | 0 | 0 | 0 | 112 | S586 Y588 R592 H593 V594 | S586-F590 PolarHBondContact O-N 3.37Å; Y588-F590 VanDerWaalsContact C-N 3.32Å; Y588-F590 PolarHBondContact O-N 3.05Å; F590-R592 VanDerWaalsContact C-N 3.34Å; F590-R592 PolarHBondContact O-N 3.42Å; F590-H593 WeakPolarHBondContact O-CB 3.42Å; F590-H593 PolarHBondContact O-N 2.99Å; F590-V594 HydrophobicContact CD1-CG2 4.46Å; F590-V594 HydrophobicContact CE1-CG2 4.06Å; F590-V594 HydrophobicContact CE2-CG2 4.18Å; F590-V594 HydrophobicContact CZ-CG2 3.91Å; F590-V594 WeakPolarHBondContact O-CG2 3.44Å; F590-V594 PolarHBondContact O-N 3.49Å |
| 591 | S | 86.4 | Confident | 86.4 | Confident | 6 Ų | 6 | 60.1 Ų | 60.1 | 4% | 0.042 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.7 | -41.1 | 178.4 | -64.4 | 0 | 0 | 0 | 0 | 112.3 | F587 Y588 E595 | F587-S591 VanDerWaalsContact O-CB 3.31Å; F587-S591 WeakPolarHBondContact O-CB 3.26Å; F587-S591 PolarHBondContact O-N 3.34Å; F587-S591 PolarHBondContact O-OG 2.87Å; Y588-S591 PolarHBondContact O-N 3.47Å; S591-E595 PolarHBondContact O-N 2.87Å; S591-E595 VanDerWaalsContact O-N 3.16Å |
| 592 | R | 87.3 | Confident | 85.7 | Confident | 78 Ų | 78 | 55.3 Ų | 55.3 | 29% | 0.294 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.2 | -40.7 | 175.4 | -174.2 | 179.5 | -179.4 | 178 | -1.9 | 111.8 | R358 L361 Y588 Y589 F590 E595 K596 | R358-R592 PolarHBondContact O-NH2 3.27Å; L361-R592 HydrophobicContact CD1-CG 3.84Å; Y588-R592 WeakPolarHBondContact O-CB 3.3Å; Y588-R592 PolarHBondContact O-N 3.49Å; Y589-R592 PolarHBondContact O-N 2.95Å; F590-R592 VanDerWaalsContact C-N 3.34Å; F590-R592 PolarHBondContact O-N 3.42Å; R592-E595 PolarHBondContact O-N 2.87Å; R592-K596 WeakPolarHBondContact O-CB 3.44Å; R592-K596 PolarHBondContact O-N 3.29Å |
| 593 | H | 84.1 | Confident | 84.9 | Confident | 102 Ų | 102 | 52.5 Ų | 52.5 | 47% | 0.472 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.9 | -46 | 177.1 | 177.6 | -101.5 | 0 | 0 | 0 | 111.8 | Y589 F590 E595 K596 L597 | Y589-H593 WeakPolarHBondContact O-CB 3.25Å; Y589-H593 PolarHBondContact O-N 3.34Å; F590-H593 WeakPolarHBondContact O-CB 3.42Å; F590-H593 PolarHBondContact O-N 2.99Å; H593-E595 PolarHBondContact O-N 3.47Å; H593-K596 PolarHBondContact O-N 3.04Å; H593-L597 WeakPolarHBondContact CE1-CD1 3.25Å; H593-L597 WeakPolarHBondContact O-CG 3.3Å; H593-L597 PolarHBondContact O-N 2.98Å |
| 594 | V | 81.3 | Confident | 83.8 | Confident | 51 Ų | 51 | 52.5 Ų | 52.5 | 31% | 0.309 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62 | -42.6 | 177.7 | 172.8 | 0 | 0 | 0 | 0 | 111.9 | F590 L597 A598 | F590-V594 HydrophobicContact CD1-CG2 4.46Å; F590-V594 HydrophobicContact CE1-CG2 4.06Å; F590-V594 HydrophobicContact CE2-CG2 4.18Å; F590-V594 HydrophobicContact CZ-CG2 3.91Å; F590-V594 WeakPolarHBondContact O-CG2 3.44Å; F590-V594 PolarHBondContact O-N 3.49Å; V594-L597 PolarHBondContact O-N 3.45Å; V594-A598 PolarHBondContact O-N 3.11Å |
| 595 | E | 82.8 | Confident | 82.9 | Confident | 21 Ų | 21 | 56.3 Ų | 56.3 | 10% | 0.098 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.4 | -40.7 | 176.2 | -179.2 | 166.3 | 174.3 | 0 | 0 | 112 | L361 S527 H528 S591 R592 H593 L597 A598 R599 | L361-E595 HydrophobicContact CD1-CB 4.49Å; L361-E595 HydrophobicContact CD1-CG 4.42Å; S527-E595 WeakPolarHBondContact CA-OE2 3.12Å; H528-E595 WeakPolarHBondContact CB-OE2 3.33Å; H528-E595 IonicContact CG-OE2 2.74Å; H528-E595 PolarHBondContact N-OE2 3.3Å; H528-E595 IonicContact ND1-OE2 3.07Å; H528-E595 PolarHBondContact ND1-OE2 3.05Å; S591-E595 PolarHBondContact O-N 2.87Å; S591-E595 VanDerWaalsContact O-N 3.16Å; R592-E595 PolarHBondContact O-N 2.87Å; H593-E595 PolarHBondContact O-N 3.47Å; E595-L597 VanDerWaalsContact C-N 3.34Å; E595-L597 PolarHBondContact O-N 3.45Å; E595-A598 PolarHBondContact O-N 3.44Å; E595-R599 HydrophobicContact CG-CG 4.48Å; E595-R599 WeakPolarHBondContact O-CG 3.29Å; E595-R599 PolarHBondContact O-N 3.12Å; E595-R599 IonicContact OE1-CZ 3.82Å; E595-R599 IonicContact OE1-NE 3.38Å; E595-R599 PolarHBondContact OE1-NE 3.01Å; E595-R599 IonicContact OE1-NH2 3.82Å; E595-R599 PolarHBondContact OE1-NH2 2.99Å; E595-R599 VanDerWaalsContact OE1-NH2 3.12Å |
| 596 | K | 82.1 | Confident | 82.1 | Confident | 128 Ų | 128 | 55.5 Ų | 55.5 | 56% | 0.557 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -57.8 | -47.7 | 175.6 | -174.4 | -176.5 | 177.7 | -171.9 | 0 | 111 | L361 R592 H593 A598 R599 T600 | L361-K596 HydrophobicContact CD1-CB 4.38Å; R592-K596 WeakPolarHBondContact O-CB 3.44Å; R592-K596 PolarHBondContact O-N 3.29Å; H593-K596 PolarHBondContact O-N 3.04Å; K596-A598 PolarHBondContact O-N 3.14Å; K596-R599 PolarHBondContact O-N 3.18Å; K596-T600 WeakPolarHBondContact O-CG2 3.34Å; K596-T600 PolarHBondContact O-N 3.32Å; K596-T600 PolarHBondContact O-OG1 2.72Å |
| 597 | L | 77.4 | Confident | 81.3 | Confident | 53 Ų | 53 | 55.7 Ų | 55.7 | 28% | 0.277 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.6 | -39.9 | 177.4 | -74.7 | 173.3 | 0 | 0 | 0 | 112.9 | H593 V594 E595 R599 T600 L601 | H593-L597 WeakPolarHBondContact CE1-CD1 3.25Å; H593-L597 WeakPolarHBondContact O-CG 3.3Å; H593-L597 PolarHBondContact O-N 2.98Å; V594-L597 PolarHBondContact O-N 3.45Å; E595-L597 VanDerWaalsContact C-N 3.34Å; E595-L597 PolarHBondContact O-N 3.45Å; L597-R599 VanDerWaalsContact C-N 3.35Å; L597-T600 WeakPolarHBondContact CA-OG1 3.26Å; L597-T600 PolarHBondContact O-OG1 3.11Å; L597-L601 VanDerWaalsContact O-CB 3.25Å; L597-L601 WeakPolarHBondContact O-CB 3.35Å; L597-L601 PolarHBondContact O-N 3.47Å; L597-L601 VanDerWaalsContact O-N 3.14Å |
| 598 | A | 77.5 | Confident | 80.2 | Confident | 15 Ų | 15 | 55 Ų | 55 | 12% | 0.124 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.2 | -39.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V594 E595 K596 F602 | V594-A598 PolarHBondContact O-N 3.11Å; E595-A598 PolarHBondContact O-N 3.44Å; K596-A598 PolarHBondContact O-N 3.14Å; A598-F602 PolarHBondContact O-N 3.25Å; A598-F602 VanDerWaalsContact O-N 3.11Å |
| 599 | R | 80.9 | Confident | 79.4 | Confident | 12 Ų | 12 | 59 Ų | 59 | 5% | 0.045 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -69.7 | -39.4 | 178 | -72.5 | 176 | 174.2 | -86.3 | 1.4 | 112.5 | L361 F363 E369 Y372 E595 K596 L597 F602 L603 | L361-R599 WeakPolarHBondContact O-CD 3.34Å; L361-R599 PolarHBondContact O-NE 3.39Å; L361-R599 VanDerWaalsContact O-NE 3.11Å; L361-R599 PolarHBondContact O-NH1 2.92Å; L361-R599 VanDerWaalsContact O-NH1 3.11Å; F363-R599 HydrophobicContact CE1-CB 4.37Å; F363-R599 HydrophobicContact CE2-CG 4.31Å; F363-R599 HydrophobicContact CZ-CB 3.79Å; F363-R599 HydrophobicContact CZ-CG 4.04Å; E369-R599 IonicContact OE1-CZ 3.81Å; E369-R599 IonicContact OE1-NH1 3.17Å; E369-R599 IonicContact OE1-NH2 2.94Å; E369-R599 PolarHBondContact OE1-NH2 3.11Å; E369-R599 IonicContact OE2-CZ 3.72Å; E369-R599 IonicContact OE2-NH1 3.94Å; E369-R599 PolarHBondContact OE2-NH1 3.07Å; E369-R599 IonicContact OE2-NH2 2.96Å; Y372-R599 HydrophobicContact CE1-CG 3.91Å; Y372-R599 HydrophobicContact CE2-CG 4.15Å; E595-R599 HydrophobicContact CG-CG 4.48Å; E595-R599 WeakPolarHBondContact O-CG 3.29Å; E595-R599 PolarHBondContact O-N 3.12Å; E595-R599 IonicContact OE1-CZ 3.82Å; E595-R599 IonicContact OE1-NE 3.38Å; E595-R599 PolarHBondContact OE1-NE 3.01Å; E595-R599 IonicContact OE1-NH2 3.82Å; E595-R599 PolarHBondContact OE1-NH2 2.99Å; E595-R599 VanDerWaalsContact OE1-NH2 3.12Å; K596-R599 PolarHBondContact O-N 3.18Å; L597-R599 VanDerWaalsContact C-N 3.35Å; R599-F602 PolarHBondContact O-N 3.31Å; R599-L603 PolarHBondContact O-N 3.5Å; R599-L603 VanDerWaalsContact O-N 3.12Å |
| 600 | T | 75.7 | Confident | 78.8 | Confident | 44 Ų | 44 | 56 Ų | 56 | 27% | 0.27 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65 | -41.8 | 176.5 | 50.1 | 0 | 0 | 0 | 0 | 111.8 | K596 L597 F602 L603 W604 | K596-T600 WeakPolarHBondContact O-CG2 3.34Å; K596-T600 PolarHBondContact O-N 3.32Å; K596-T600 PolarHBondContact O-OG1 2.72Å; L597-T600 WeakPolarHBondContact CA-OG1 3.26Å; L597-T600 PolarHBondContact O-OG1 3.11Å; T600-F602 VanDerWaalsContact C-N 3.35Å; T600-F602 PolarHBondContact O-N 2.87Å; T600-L603 WeakPolarHBondContact O-CB 3.38Å; T600-L603 PolarHBondContact O-N 3.06Å; T600-W604 PolarHBondContact O-N 3.12Å |
| 601 | L | 74.2 | Confident | 77.9 | Confident | 37 Ų | 37 | 52.7 Ų | 52.7 | 19% | 0.194 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.4 | -39.6 | 177.6 | -172.9 | 158.3 | 0 | 0 | 0 | 112.3 | A9 L597 W604 K605 | A9-L601 HydrophobicContact CB-CD1 3.08Å; A9-L601 HydrophobicContact CB-CD2 3.84Å; A9-L601 HydrophobicContact CB-CG 3.43Å; A9-L601 VanDerWaalsContact CB-CG 3.43Å; L597-L601 VanDerWaalsContact O-CB 3.25Å; L597-L601 WeakPolarHBondContact O-CB 3.35Å; L597-L601 PolarHBondContact O-N 3.47Å; L597-L601 VanDerWaalsContact O-N 3.14Å; L601-W604 PolarHBondContact O-N 3.49Å; L601-K605 PolarHBondContact O-N 3.34Å; L601-K605 VanDerWaalsContact O-N 3.12Å |
| 602 | F | 77.6 | Confident | 77.3 | Confident | 9 Ų | 9 | 57.4 Ų | 57.4 | 4% | 0.039 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 172.9 | 174.3 | -104.2 | 0 | 0 | 0 | 112.7 | F363 R371 Y372 E375 A598 R599 T600 W604 K605 I606 | F363-F602 AromaticContact CE2-CD1 3.97Å; F363-F602 HydrophobicContact CE2-CD1 3.97Å; F363-F602 HydrophobicContact CE2-CE1 4.22Å; F363-F602 AromaticContact CZ-CD1 3.99Å; F363-F602 HydrophobicContact CZ-CD1 3.99Å; R371-F602 HydrophobicContact CB-CZ 3.87Å; Y372-F602 VanDerWaalsContact CA-CZ 3.44Å; Y372-F602 HydrophobicContact CD2-CB 3.76Å; Y372-F602 AromaticContact CD2-CD1 3.73Å; Y372-F602 HydrophobicContact CD2-CD1 3.73Å; Y372-F602 AromaticContact CD2-CD2 3.96Å; Y372-F602 HydrophobicContact CD2-CD2 3.96Å; Y372-F602 HydrophobicContact CD2-CE1 4.25Å; Y372-F602 HydrophobicContact CD2-CE2 4.46Å; Y372-F602 AromaticContact CD2-CG 3.55Å; Y372-F602 HydrophobicContact CD2-CG 3.55Å; Y372-F602 HydrophobicContact CE2-CB 4.04Å; Y372-F602 HydrophobicContact CE2-CG 4.32Å; Y372-F602 HydrophobicContact CG-CD1 4.24Å; Y372-F602 HydrophobicContact CG-CE1 4.39Å; Y372-F602 HydrophobicContact CG-CG 4.44Å; Y372-F602 VanDerWaalsContact N-CZ 3.26Å; E375-F602 HydrophobicContact CB-CD2 4.35Å; E375-F602 HydrophobicContact CB-CE2 4.02Å; E375-F602 HydrophobicContact CG-CD2 4.18Å; E375-F602 HydrophobicContact CG-CE2 4.1Å; A598-F602 PolarHBondContact O-N 3.25Å; A598-F602 VanDerWaalsContact O-N 3.11Å; R599-F602 PolarHBondContact O-N 3.31Å; T600-F602 VanDerWaalsContact C-N 3.35Å; T600-F602 PolarHBondContact O-N 2.87Å; F602-W604 VanDerWaalsContact C-N 3.29Å; F602-W604 PolarHBondContact O-N 3.38Å; F602-K605 WeakPolarHBondContact O-CB 3.23Å; F602-K605 PolarHBondContact O-N 2.85Å; F602-I606 HydrophobicContact CD1-CD1 4.15Å; F602-I606 HydrophobicContact CE1-CD1 3.34Å; F602-I606 HydrophobicContact CE1-CG1 4.25Å; F602-I606 HydrophobicContact CE2-CD1 3.89Å; F602-I606 HydrophobicContact CE2-CG1 4.22Å; F602-I606 HydrophobicContact CZ-CD1 3.2Å; F602-I606 HydrophobicContact CZ-CG1 4.02Å; F602-I606 PolarHBondContact O-N 2.88Å |
| 603 | L | 77.1 | Confident | 76.9 | Confident | 37 Ų | 37 | 58.6 Ų | 58.6 | 19% | 0.194 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60 | -40.4 | 175.2 | -73.2 | 177.3 | 0 | 0 | 0 | 111.8 | F363 R599 T600 K605 I606 E607 | F363-L603 HydrophobicContact CD1-CD2 4.29Å; F363-L603 HydrophobicContact CE1-CD1 3.78Å; F363-L603 HydrophobicContact CE1-CD2 3.72Å; F363-L603 HydrophobicContact CE1-CG 3.67Å; F363-L603 HydrophobicContact CZ-CD2 4.2Å; F363-L603 HydrophobicContact CZ-CG 4.04Å; R599-L603 PolarHBondContact O-N 3.5Å; R599-L603 VanDerWaalsContact O-N 3.12Å; T600-L603 WeakPolarHBondContact O-CB 3.38Å; T600-L603 PolarHBondContact O-N 3.06Å; L603-K605 VanDerWaalsContact C-N 3.3Å; L603-K605 PolarHBondContact O-N 2.93Å; L603-I606 PolarHBondContact O-N 3.42Å; L603-E607 WeakPolarHBondContact O-CB 3.37Å; L603-E607 PolarHBondContact O-N 3.32Å |
| 604 | W | 71.4 | Confident | 76.6 | Confident | 64 Ų | 64 | 58.2 Ų | 58.2 | 24% | 0.242 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.1 | -42.6 | 176 | -68.5 | -16.3 | 0 | 0 | 0 | 112.3 | R345 E346 T600 L601 F602 V608 | R345-W604 PolarHBondContact NH2-O 2.97Å; E346-W604 HydrophobicContact CG-CH2 4.47Å; E346-W604 HydrophobicContact CG-CZ2 4.15Å; T600-W604 PolarHBondContact O-N 3.12Å; L601-W604 PolarHBondContact O-N 3.49Å; F602-W604 VanDerWaalsContact C-N 3.29Å; F602-W604 PolarHBondContact O-N 3.38Å; W604-V608 VanDerWaalsContact O-CB 3.24Å; W604-V608 WeakPolarHBondContact O-CB 3.43Å; W604-V608 VanDerWaalsContact O-CG2 3.3Å; W604-V608 WeakPolarHBondContact O-CG2 3.43Å; W604-V608 PolarHBondContact O-N 2.83Å |
| 605 | K | 74.8 | Confident | 76.2 | Confident | 88 Ų | 88 | 56.6 Ų | 56.6 | 38% | 0.383 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.6 | -44.2 | 178.1 | -173.3 | 179.9 | -179.4 | -179.1 | 0 | 112.3 | E375 L601 F602 L603 V608 H609 | E375-K605 IonicContact OE1-NZ 2.81Å; E375-K605 PolarHBondContact OE1-NZ 3.48Å; L601-K605 PolarHBondContact O-N 3.34Å; L601-K605 VanDerWaalsContact O-N 3.12Å; F602-K605 WeakPolarHBondContact O-CB 3.23Å; F602-K605 PolarHBondContact O-N 2.85Å; L603-K605 VanDerWaalsContact C-N 3.3Å; L603-K605 PolarHBondContact O-N 2.93Å; K605-V608 WeakPolarHBondContact O-CB 3.49Å; K605-H609 WeakPolarHBondContact O-CB 3.3Å; K605-H609 PolarHBondContact O-N 3.48Å |
| 606 | I | 77.6 | Confident | 75.9 | Confident | 31 Ų | 31 | 61.6 Ų | 61.6 | 16% | 0.159 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.7 | -49.8 | 177.7 | -74.5 | -173.2 | 0 | 0 | 0 | 111.4 | L368 F602 L603 V608 H609 E610 | L368-I606 HydrophobicContact CD2-CD1 3.61Å; L368-I606 HydrophobicContact CD2-CG2 4.5Å; F602-I606 HydrophobicContact CD1-CD1 4.15Å; F602-I606 HydrophobicContact CE1-CD1 3.34Å; F602-I606 HydrophobicContact CE1-CG1 4.25Å; F602-I606 HydrophobicContact CE2-CD1 3.89Å; F602-I606 HydrophobicContact CE2-CG1 4.22Å; F602-I606 HydrophobicContact CZ-CD1 3.2Å; F602-I606 HydrophobicContact CZ-CG1 4.02Å; F602-I606 PolarHBondContact O-N 2.88Å; L603-I606 PolarHBondContact O-N 3.42Å; I606-V608 VanDerWaalsContact C-N 3.25Å; I606-V608 PolarHBondContact O-N 3.49Å; I606-H609 WeakPolarHBondContact O-CB 3.2Å; I606-H609 PolarHBondContact O-N 3.32Å; I606-E610 PolarHBondContact O-N 2.92Å |
| 607 | E | 74.7 | Confident | 75.9 | Confident | 66 Ų | 66 | 59.8 Ų | 59.8 | 31% | 0.308 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60 | -41 | -179.3 | 175.7 | 74 | -133.6 | 0 | 0 | 110.7 | R345 L603 H609 E610 Q611 | R345-E607 VanDerWaalsContact NH2-CG 3.32Å; L603-E607 WeakPolarHBondContact O-CB 3.37Å; L603-E607 PolarHBondContact O-N 3.32Å; E607-H609 VanDerWaalsContact C-N 3.32Å; E607-H609 PolarHBondContact O-N 3.35Å; E607-E610 PolarHBondContact O-N 2.93Å; E607-Q611 WeakPolarHBondContact O-CB 3.32Å; E607-Q611 WeakPolarHBondContact O-CG 3.36Å; E607-Q611 PolarHBondContact O-N 2.97Å; E607-Q611 WeakPolarHBondContact OE1-CG 3.4Å; E607-Q611 PolarHBondContact OE1-NE2 3.34Å |
| 608 | V | 70.6 | Confident | 75.6 | Confident | 27 Ų | 27 | 61.2 Ų | 61.2 | 16% | 0.164 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -55.1 | -47.4 | 171.8 | 137.8 | 0 | 0 | 0 | 0 | 112 | S16 W604 K605 I606 K612 | S16-V608 WeakPolarHBondContact OG-CB 3.29Å; S16-V608 WeakPolarHBondContact OG-CG1 3.16Å; S16-V608 WeakPolarHBondContact OG-CG2 3.49Å; W604-V608 VanDerWaalsContact O-CB 3.24Å; W604-V608 WeakPolarHBondContact O-CB 3.43Å; W604-V608 VanDerWaalsContact O-CG2 3.3Å; W604-V608 WeakPolarHBondContact O-CG2 3.43Å; W604-V608 PolarHBondContact O-N 2.83Å; K605-V608 WeakPolarHBondContact O-CB 3.49Å; I606-V608 VanDerWaalsContact C-N 3.25Å; I606-V608 PolarHBondContact O-N 3.49Å; V608-K612 WeakPolarHBondContact O-CB 2.91Å; V608-K612 PolarHBondContact O-N 3.03Å |
| 609 | H | 74.6 | Confident | 75.6 | Confident | 119 Ų | 119 | 64.3 Ų | 64.3 | 55% | 0.551 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -68 | -43 | -176.7 | -168.9 | -72.3 | 0 | 0 | 0 | 111.2 | K605 I606 E607 K612 E613 | K605-H609 WeakPolarHBondContact O-CB 3.3Å; K605-H609 PolarHBondContact O-N 3.48Å; I606-H609 WeakPolarHBondContact O-CB 3.2Å; I606-H609 PolarHBondContact O-N 3.32Å; E607-H609 VanDerWaalsContact C-N 3.32Å; E607-H609 PolarHBondContact O-N 3.35Å; H609-K612 WeakPolarHBondContact O-CB 3.47Å; H609-K612 PolarHBondContact O-N 3.49Å; H609-E613 WeakPolarHBondContact O-CB 3.41Å; H609-E613 PolarHBondContact O-N 3.04Å |
| 610 | E | 77.4 | Confident | 75.6 | Confident | 80 Ų | 80 | 70.3 Ų | 70.3 | 37% | 0.374 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.2 | -43.3 | 177.6 | -169.1 | -170.5 | 150.7 | 0 | 0 | 111.6 | I606 E607 E613 K614 | I606-E610 PolarHBondContact O-N 2.92Å; E607-E610 PolarHBondContact O-N 2.93Å; E610-E613 PolarHBondContact O-N 3.38Å; E610-K614 WeakPolarHBondContact O-CG 3.48Å; E610-K614 PolarHBondContact O-N 3.28Å; E610-K614 IonicContact OE1-NZ 3.63Å; E610-K614 PolarHBondContact OE1-NZ 3.36Å |
| 611 | Q | 69.8 | Low | 75.7 | Confident | 39 Ų | 39 | 71.9 Ų | 71.9 | 18% | 0.182 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.8 | -41.5 | 175.1 | -65.1 | -65.7 | -35.2 | 0 | 0 | 111.3 | E607 E613 K614 V615 | E607-Q611 WeakPolarHBondContact O-CB 3.32Å; E607-Q611 WeakPolarHBondContact O-CG 3.36Å; E607-Q611 PolarHBondContact O-N 2.97Å; E607-Q611 WeakPolarHBondContact OE1-CG 3.4Å; E607-Q611 PolarHBondContact OE1-NE2 3.34Å; Q611-E613 VanDerWaalsContact C-N 3.32Å; Q611-E613 PolarHBondContact O-N 2.88Å; Q611-K614 PolarHBondContact O-N 2.96Å; Q611-V615 WeakPolarHBondContact O-CG2 3.48Å; Q611-V615 PolarHBondContact O-N 3Å |
| 612 | K | 73.9 | Confident | 75.7 | Confident | 105 Ų | 105 | 70.4 Ų | 70.4 | 46% | 0.457 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.9 | -43 | 176 | -177.7 | -177 | 177.3 | -176.5 | 0 | 111.6 | L23 V608 H609 V615 Y616 | L23-K612 HydrophobicContact CD1-CG 4.14Å; V608-K612 WeakPolarHBondContact O-CB 2.91Å; V608-K612 PolarHBondContact O-N 3.03Å; H609-K612 WeakPolarHBondContact O-CB 3.47Å; H609-K612 PolarHBondContact O-N 3.49Å; K612-V615 PolarHBondContact O-N 2.85Å; K612-Y616 WeakPolarHBondContact O-CB 3.43Å; K612-Y616 PolarHBondContact O-N 3.43Å |
| 613 | E | 80.5 | Confident | 75.8 | Confident | 103 Ų | 103 | 73.9 Ų | 73.9 | 48% | 0.481 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.9 | -47.1 | 177.1 | -172.6 | 167.4 | -162.4 | 0 | 0 | 111.4 | H609 E610 Q611 V615 Y616 E617 | H609-E613 WeakPolarHBondContact O-CB 3.41Å; H609-E613 PolarHBondContact O-N 3.04Å; E610-E613 PolarHBondContact O-N 3.38Å; Q611-E613 VanDerWaalsContact C-N 3.32Å; Q611-E613 PolarHBondContact O-N 2.88Å; E613-V615 PolarHBondContact O-N 3.41Å; E613-Y616 WeakPolarHBondContact O-CB 3.48Å; E613-Y616 PolarHBondContact O-N 2.87Å; E613-Y616 VanDerWaalsContact O-N 3.16Å; E613-E617 WeakPolarHBondContact O-CG 3.41Å; E613-E617 PolarHBondContact O-N 3.16Å |
| 614 | K | 76.8 | Confident | 75.9 | Confident | 93 Ų | 93 | 74 Ų | 74 | 40% | 0.404 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -57.3 | -44.5 | 175.2 | -75.4 | 170.2 | 172.9 | 165.6 | 0 | 113.2 | E610 Q611 E617 M618 | E610-K614 WeakPolarHBondContact O-CG 3.48Å; E610-K614 PolarHBondContact O-N 3.28Å; E610-K614 IonicContact OE1-NZ 3.63Å; E610-K614 PolarHBondContact OE1-NZ 3.36Å; Q611-K614 PolarHBondContact O-N 2.96Å; K614-E617 PolarHBondContact O-N 3.08Å; K614-M618 WeakPolarHBondContact O-CB 3.4Å; K614-M618 PolarHBondContact O-N 3.34Å |
| 615 | V | 72.1 | Confident | 76.2 | Confident | 18 Ų | 18 | 71 Ų | 71 | 11% | 0.109 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -70.1 | -36.4 | 178.3 | -175 | 0 | 0 | 0 | 0 | 111.2 | L23 Q611 K612 E613 M618 R619 | L23-V615 HydrophobicContact CB-CB 4.28Å; L23-V615 HydrophobicContact CB-CG1 3.5Å; L23-V615 WeakPolarHBondContact O-CG1 3.33Å; Q611-V615 WeakPolarHBondContact O-CG2 3.48Å; Q611-V615 PolarHBondContact O-N 3Å; K612-V615 PolarHBondContact O-N 2.85Å; E613-V615 PolarHBondContact O-N 3.41Å; V615-M618 PolarHBondContact O-N 3.22Å; V615-R619 WeakPolarHBondContact O-CB 3.46Å; V615-R619 PolarHBondContact O-N 2.89Å |
| 616 | Y | 78.1 | Confident | 76.4 | Confident | 125 Ų | 125 | 66.8 Ų | 66.8 | 49% | 0.49 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64 | -42.1 | 175.4 | -176.4 | -100.2 | 0 | 0 | 0 | 112.3 | K612 E613 R619 R620 | K612-Y616 WeakPolarHBondContact O-CB 3.43Å; K612-Y616 PolarHBondContact O-N 3.43Å; E613-Y616 WeakPolarHBondContact O-CB 3.48Å; E613-Y616 PolarHBondContact O-N 2.87Å; E613-Y616 VanDerWaalsContact O-N 3.16Å; Y616-R619 PolarHBondContact O-N 3.05Å; Y616-R620 VanDerWaalsContact CE1-NH2 3.35Å; Y616-R620 PolarHBondContact O-N 3.23Å |
| 617 | E | 80.8 | Confident | 76.5 | Confident | 90 Ų | 90 | 67.9 Ų | 67.9 | 42% | 0.421 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.5 | -47.6 | 172.2 | -72.6 | -176.2 | 164.6 | 0 | 0 | 111.7 | E613 K614 R619 R620 W621 | E613-E617 WeakPolarHBondContact O-CG 3.41Å; E613-E617 PolarHBondContact O-N 3.16Å; K614-E617 PolarHBondContact O-N 3.08Å; E617-R619 VanDerWaalsContact C-N 3.3Å; E617-R619 PolarHBondContact O-N 3.26Å; E617-R620 WeakPolarHBondContact O-CB 3.4Å; E617-R620 PolarHBondContact O-N 2.76Å; E617-R620 VanDerWaalsContact O-N 3.13Å; E617-W621 PolarHBondContact O-N 2.65Å |
| 618 | M | 71.7 | Confident | 76.9 | Confident | 83 Ų | 83 | 66.4 Ų | 66.4 | 41% | 0.409 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -57.5 | -43.7 | 177.7 | -169.8 | 179.2 | -58.6 | 0 | 0 | 111.7 | S27 K614 V615 W621 N622 | S27-M618 PolarHBondContact OG-SD 2.93Å; K614-M618 WeakPolarHBondContact O-CB 3.4Å; K614-M618 PolarHBondContact O-N 3.34Å; V615-M618 PolarHBondContact O-N 3.22Å; M618-W621 PolarHBondContact O-N 2.99Å; M618-N622 WeakPolarHBondContact O-CB 3.35Å; M618-N622 VanDerWaalsContact O-CG 3.26Å; M618-N622 PolarHBondContact O-N 3.21Å |
| 619 | R | 76.8 | Confident | 77.3 | Confident | 80 Ų | 80 | 65.5 Ų | 65.5 | 30% | 0.302 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60 | -45.8 | 175 | 178 | -177.9 | 172.3 | 159 | 6.6 | 112 | V615 Y616 E617 W621 N622 E623 | V615-R619 WeakPolarHBondContact O-CB 3.46Å; V615-R619 PolarHBondContact O-N 2.89Å; Y616-R619 PolarHBondContact O-N 3.05Å; E617-R619 VanDerWaalsContact C-N 3.3Å; E617-R619 PolarHBondContact O-N 3.26Å; R619-W621 VanDerWaalsContact C-N 3.34Å; R619-W621 PolarHBondContact O-N 2.83Å; R619-N622 PolarHBondContact O-N 2.95Å; R619-E623 VanDerWaalsContact O-CB 3.24Å; R619-E623 WeakPolarHBondContact O-CB 3.24Å; R619-E623 PolarHBondContact O-N 3.42Å |
| 620 | R | 80.8 | Confident | 77.5 | Confident | 139 Ų | 139 | 60 Ų | 60 | 53% | 0.525 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.8 | -45.1 | 179.4 | -176.7 | -172.5 | -71.7 | 163.1 | -12.9 | 111.3 | Y616 E617 A624 | Y616-R620 VanDerWaalsContact CE1-NH2 3.35Å; Y616-R620 PolarHBondContact O-N 3.23Å; E617-R620 WeakPolarHBondContact O-CB 3.4Å; E617-R620 PolarHBondContact O-N 2.76Å; E617-R620 VanDerWaalsContact O-N 3.13Å; R620-A624 WeakPolarHBondContact O-CB 3.48Å; R620-A624 PolarHBondContact O-N 3.08Å |
| 621 | W | 78.5 | Confident | 77.7 | Confident | 76 Ų | 76 | 56.4 Ų | 56.4 | 29% | 0.288 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -65.9 | -45 | 177.6 | -69 | 116.9 | 0 | 0 | 0 | 112.2 | L47 M50 K51 E617 M618 R619 E623 A624 L625 | L47-W621 HydrophobicContact CD2-CB 4Å; M50-W621 HydrophobicContact CB-CE3 3.82Å; M50-W621 HydrophobicContact CB-CH2 4.41Å; M50-W621 HydrophobicContact CB-CZ3 3.66Å; M50-W621 HydrophobicContact CE-CE3 3.85Å; M50-W621 HydrophobicContact CE-CZ3 3.94Å; M50-W621 WeakPolarHBondContact O-CH2 3.19Å; M50-W621 WeakPolarHBondContact O-CZ3 3.41Å; M50-W621 HydrophobicContact SD-CE3 4.42Å; K51-W621 HydrophobicContact CG-CZ2 4.35Å; E617-W621 PolarHBondContact O-N 2.65Å; M618-W621 PolarHBondContact O-N 2.99Å; R619-W621 VanDerWaalsContact C-N 3.34Å; R619-W621 PolarHBondContact O-N 2.83Å; W621-E623 PolarHBondContact O-N 3.03Å; W621-A624 PolarHBondContact O-N 2.83Å; W621-L625 WeakPolarHBondContact O-CG 3.4Å; W621-L625 PolarHBondContact O-N 3.44Å |
| 622 | N | 75 | Confident | 78 | Confident | 7 Ų | 7 | 60.2 Ų | 60.2 | 4% | 0.037 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.9 | -40.3 | 177.8 | -72.6 | -7.1 | 0 | 0 | 0 | 112.1 | Q30 M618 R619 L625 V626 | Q30-N622 HydrophobicContact CB-CB 3.78Å; Q30-N622 HydrophobicContact CG-CB 4.47Å; M618-N622 WeakPolarHBondContact O-CB 3.35Å; M618-N622 VanDerWaalsContact O-CG 3.26Å; M618-N622 PolarHBondContact O-N 3.21Å; R619-N622 PolarHBondContact O-N 2.95Å; N622-L625 PolarHBondContact O-N 2.81Å; N622-V626 WeakPolarHBondContact O-CG2 3.19Å; N622-V626 PolarHBondContact O-N 3.36Å |
| 623 | E | 79 | Confident | 78.1 | Confident | 82 Ų | 82 | 56.4 Ų | 56.4 | 38% | 0.383 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.7 | -41.6 | 175.7 | -174.1 | 170.4 | 178.1 | 0 | 0 | 111.7 | R619 W621 L625 V626 T627 L639 | R619-E623 VanDerWaalsContact O-CB 3.24Å; R619-E623 WeakPolarHBondContact O-CB 3.24Å; R619-E623 PolarHBondContact O-N 3.42Å; W621-E623 PolarHBondContact O-N 3.03Å; E623-L625 VanDerWaalsContact C-N 3.32Å; E623-L625 PolarHBondContact O-N 2.94Å; E623-V626 PolarHBondContact O-N 3.15Å; E623-T627 WeakPolarHBondContact O-CB 3.31Å; E623-T627 WeakPolarHBondContact O-CG2 3.34Å; E623-T627 PolarHBondContact O-N 3.22Å; E623-T627 PolarHBondContact O-OG1 3.18Å; E623-L639 HydrophobicContact CG-CD1 4.25Å |
| 624 | A | 79.8 | Confident | 77.9 | Confident | 39 Ų | 39 | 51.5 Ų | 51.5 | 32% | 0.322 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.6 | -38.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | M50 R620 W621 T627 N628 | M50-A624 HydrophobicContact CE-CB 4.13Å; R620-A624 WeakPolarHBondContact O-CB 3.48Å; R620-A624 PolarHBondContact O-N 3.08Å; W621-A624 PolarHBondContact O-N 2.83Å; A624-T627 WeakPolarHBondContact CA-OG1 3.36Å; A624-T627 PolarHBondContact O-OG1 2.68Å; A624-N628 PolarHBondContact O-N 2.78Å; A624-N628 VanDerWaalsContact O-N 3.15Å |
| 625 | L | 77.8 | Confident | 77.8 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.5 | -48.6 | 175 | -73.5 | 173.7 | 0 | 0 | 0 | 112.5 | L34 L47 M50 W185 W621 N622 E623 T627 N628 M629 | L34-L625 HydrophobicContact CD1-CB 4.01Å; L34-L625 HydrophobicContact CD1-CD1 3.79Å; L34-L625 HydrophobicContact CD1-CG 4.43Å; L34-L625 HydrophobicContact CD2-CD1 3.68Å; L34-L625 HydrophobicContact CG-CD1 4.4Å; L47-L625 HydrophobicContact CD1-CD1 4.35Å; L47-L625 HydrophobicContact CD2-CD1 3.41Å; L47-L625 VanDerWaalsContact CD2-CD1 3.41Å; L47-L625 HydrophobicContact CD2-CG 4.46Å; L47-L625 HydrophobicContact CG-CD1 3.69Å; M50-L625 HydrophobicContact SD-CD2 3.48Å; M50-L625 WeakPolarHBondContact SD-CD2 3.41Å; M50-L625 HydrophobicContact SD-CG 3.96Å; W185-L625 HydrophobicContact CE3-CD2 3.94Å; W185-L625 HydrophobicContact CZ3-CD2 3.47Å; W185-L625 VanDerWaalsContact CZ3-CD2 3.47Å; W621-L625 WeakPolarHBondContact O-CG 3.4Å; W621-L625 PolarHBondContact O-N 3.44Å; N622-L625 PolarHBondContact O-N 2.81Å; E623-L625 VanDerWaalsContact C-N 3.32Å; E623-L625 PolarHBondContact O-N 2.94Å; L625-T627 VanDerWaalsContact C-N 3.33Å; L625-T627 PolarHBondContact O-N 3.06Å; L625-N628 WeakPolarHBondContact O-CB 3.45Å; L625-N628 PolarHBondContact O-N 3.31Å; L625-N628 VanDerWaalsContact O-N 3.16Å; L625-M629 WeakPolarHBondContact O-CG 3.11Å; L625-M629 PolarHBondContact O-N 3.47Å; L625-M629 VanDerWaalsContact O-N 3.1Å |
| 626 | V | 77.6 | Confident | 77.9 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.4 | -42 | -179 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | L33 N622 E623 N628 M629 L630 A635 L639 | L33-V626 HydrophobicContact CD2-CB 4.45Å; L33-V626 HydrophobicContact CD2-CG1 3.71Å; L33-V626 HydrophobicContact CD2-CG2 3.78Å; L33-V626 HydrophobicContact CG-CG2 4.26Å; N622-V626 WeakPolarHBondContact O-CG2 3.19Å; N622-V626 PolarHBondContact O-N 3.36Å; E623-V626 PolarHBondContact O-N 3.15Å; V626-N628 VanDerWaalsContact C-N 3.29Å; V626-N628 PolarHBondContact O-N 3.22Å; V626-M629 PolarHBondContact O-N 3.21Å; V626-M629 VanDerWaalsContact O-N 3.17Å; V626-L630 HydrophobicContact CG1-CD1 4.46Å; V626-L630 PolarHBondContact O-N 3.12Å; V626-A635 HydrophobicContact CG1-CB 4.28Å; V626-L639 HydrophobicContact CG1-CD1 4.07Å; V626-L639 HydrophobicContact CG1-CD2 4.34Å; V626-L639 HydrophobicContact CG1-CG 4.29Å |
| 627 | T | 79.9 | Confident | 77.7 | Confident | 53 Ų | 53 | 46.7 Ų | 46.7 | 33% | 0.325 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -68.5 | -26 | 177 | 50.1 | 0 | 0 | 0 | 0 | 113.3 | E623 A624 L625 A635 | E623-T627 WeakPolarHBondContact O-CB 3.31Å; E623-T627 WeakPolarHBondContact O-CG2 3.34Å; E623-T627 PolarHBondContact O-N 3.22Å; E623-T627 PolarHBondContact O-OG1 3.18Å; A624-T627 WeakPolarHBondContact CA-OG1 3.36Å; A624-T627 PolarHBondContact O-OG1 2.68Å; L625-T627 VanDerWaalsContact C-N 3.33Å; L625-T627 PolarHBondContact O-N 3.06Å; T627-A635 HydrophobicContact CG2-CB 4.16Å |
| 628 | N | 83.1 | Confident | 77.2 | Confident | 35 Ų | 35 | 45 Ų | 45 | 19% | 0.187 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -70.4 | -40.6 | 169.6 | -162.3 | 0.8 | 0 | 0 | 0 | 111.1 | Q182 K183 R184 W185 A624 L625 V626 | Q182-N628 PolarHBondContact O-ND2 3.28Å; K183-N628 VanDerWaalsContact CA-OD1 3.3Å; K183-N628 WeakPolarHBondContact CA-OD1 3.37Å; R184-N628 WeakPolarHBondContact CA-O 3.23Å; R184-N628 PolarHBondContact N-O 3Å; R184-N628 PolarHBondContact N-OD1 3.5Å; R184-N628 PolarHBondContact NH1-O 3.44Å; W185-N628 VanDerWaalsContact CD2-ND2 3.29Å; A624-N628 PolarHBondContact O-N 2.78Å; A624-N628 VanDerWaalsContact O-N 3.15Å; L625-N628 WeakPolarHBondContact O-CB 3.45Å; L625-N628 PolarHBondContact O-N 3.31Å; L625-N628 VanDerWaalsContact O-N 3.16Å; V626-N628 VanDerWaalsContact C-N 3.29Å; V626-N628 PolarHBondContact O-N 3.22Å |
| 629 | M | 79.3 | Confident | 77 | Confident | 9 Ų | 9 | 43.9 Ų | 43.9 | 4% | 0.044 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -73.4 | -41.7 | -177.5 | -66 | 172.9 | 179.6 | 0 | 0 | 114 | L34 I37 L38 L625 V626 | L34-M629 HydrophobicContact CD1-CE 3.59Å; L34-M629 HydrophobicContact CD1-SD 4.2Å; I37-M629 HydrophobicContact CB-SD 3.79Å; I37-M629 HydrophobicContact CD1-CB 4.06Å; I37-M629 HydrophobicContact CD1-CG 4.41Å; I37-M629 HydrophobicContact CD1-SD 3.56Å; I37-M629 VanDerWaalsContact CD1-SD 3.56Å; I37-M629 HydrophobicContact CG1-SD 4.26Å; I37-M629 HydrophobicContact CG2-CE 4.29Å; I37-M629 HydrophobicContact CG2-CG 4.29Å; I37-M629 HydrophobicContact CG2-SD 3.62Å; L38-M629 HydrophobicContact CD1-CE 3.2Å; L38-M629 HydrophobicContact CD2-CE 4.34Å; L38-M629 HydrophobicContact CG-CE 3.47Å; L38-M629 VanDerWaalsContact CG-CE 3.47Å; L625-M629 WeakPolarHBondContact O-CG 3.11Å; L625-M629 PolarHBondContact O-N 3.47Å; L625-M629 VanDerWaalsContact O-N 3.1Å; V626-M629 PolarHBondContact O-N 3.21Å; V626-M629 VanDerWaalsContact O-N 3.17Å |
| 630 | L | 79.4 | Confident | 76.3 | Confident | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -114.9 | 146.5 | -175.2 | -64.4 | 175.2 | 0 | 0 | 0 | 111.7 | R184 V626 E632 V634 A635 | R184-L630 PolarHBondContact NH1-O 2.96Å; V626-L630 HydrophobicContact CG1-CD1 4.46Å; V626-L630 PolarHBondContact O-N 3.12Å; L630-E632 PolarHBondContact O-N 3.15Å; L630-V634 HydrophobicContact CB-CG1 4.44Å; L630-V634 HydrophobicContact CD1-CG1 4.48Å; L630-A635 HydrophobicContact CB-CB 4.25Å |
| 631 | P | 80.5 | Confident | 75 | Confident | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.019 | 20% | 0.201 | C | C | . | . | trans | -53.6 | 143.3 | 172.5 | -22.2 | 31 | 0 | 0 | 0 | 112 | R184 H633 V634 A635 Y794 | R184-P631 VanDerWaalsContact NH1-N 3.2Å; P631-H633 PolarHBondContact O-N 2.98Å; P631-H633 VanDerWaalsContact O-N 3.14Å; P631-V634 HydrophobicContact CB-CB 4.37Å; P631-V634 HydrophobicContact CB-CG2 3.96Å; P631-V634 HydrophobicContact CG-CG2 4.05Å; P631-V634 CarbonylContact O-C 3.57Å; P631-V634 WeakPolarHBondContact O-CA 2.83Å; P631-V634 WeakPolarHBondContact O-CB 3.26Å; P631-V634 PolarHBondContact O-N 3.27Å; P631-A635 PolarHBondContact O-N 3.38Å; P631-Y794 HydrophobicContact CG-CD1 3.52Å; P631-Y794 HydrophobicContact CG-CD2 4.2Å; P631-Y794 HydrophobicContact CG-CE1 3.66Å; P631-Y794 HydrophobicContact CG-CE2 4.3Å; P631-Y794 HydrophobicContact CG-CG 3.79Å | ||
| 632 | E | 76.1 | Confident | 73.7 | Confident | 119 Ų | 119 | 39.6 Ų | 39.6 | 56% | 0.556 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -55.7 | -41 | -169.6 | -163.3 | -168.9 | 161 | 0 | 0 | 112.3 | L630 V634 A635 R636 | L630-E632 PolarHBondContact O-N 3.15Å; E632-V634 VanDerWaalsContact C-N 3.34Å; E632-V634 PolarHBondContact O-N 2.93Å; E632-A635 PolarHBondContact O-N 3.03Å; E632-R636 WeakPolarHBondContact O-CG 3.39Å; E632-R636 PolarHBondContact O-N 3.5Å; E632-R636 IonicContact OE1-CZ 3.19Å; E632-R636 IonicContact OE1-NE 2.82Å; E632-R636 IonicContact OE1-NH2 2.91Å; E632-R636 PolarHBondContact OE1-NH2 2.87Å; E632-R636 IonicContact OE2-NH2 2.65Å; E632-R636 PolarHBondContact OE2-NH2 3.37Å |
| 633 | H | 75.6 | Confident | 72.4 | Confident | 26 Ų | 26 | 48.8 Ų | 48.8 | 12% | 0.12 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.6 | -33.5 | 177 | 64.4 | -95 | 0 | 0 | 0 | 113.2 | P631 H637 Y649 V721 | P631-H633 PolarHBondContact O-N 2.98Å; P631-H633 VanDerWaalsContact O-N 3.14Å; H633-H637 PolarHBondContact O-N 3.48Å; H633-Y649 AromaticContact CD2-CZ 3.91Å; H633-Y649 PolarHBondContact CD2-OH 3.01Å; H633-Y649 PolarHBondContact NE2-OH 2.88Å; H633-V721 PolarHBondContact CE1-O 3.06Å |
| 634 | V | 76.3 | Confident | 70.9 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -73.3 | -45.7 | 174.4 | -178.6 | 0 | 0 | 0 | 0 | 110 | L630 P631 E632 R636 H637 F638 Y649 V786 Y794 | L630-V634 HydrophobicContact CB-CG1 4.44Å; L630-V634 HydrophobicContact CD1-CG1 4.48Å; P631-V634 HydrophobicContact CB-CB 4.37Å; P631-V634 HydrophobicContact CB-CG2 3.96Å; P631-V634 HydrophobicContact CG-CG2 4.05Å; P631-V634 CarbonylContact O-C 3.57Å; P631-V634 WeakPolarHBondContact O-CA 2.83Å; P631-V634 WeakPolarHBondContact O-CB 3.26Å; P631-V634 PolarHBondContact O-N 3.27Å; E632-V634 VanDerWaalsContact C-N 3.34Å; E632-V634 PolarHBondContact O-N 2.93Å; V634-R636 VanDerWaalsContact C-N 3.28Å; V634-R636 PolarHBondContact O-N 3.28Å; V634-H637 WeakPolarHBondContact O-CA 3.35Å; V634-H637 VanDerWaalsContact O-CB 3.26Å; V634-H637 WeakPolarHBondContact O-CB 3.44Å; V634-H637 PolarHBondContact O-N 3.37Å; V634-F638 HydrophobicContact CG1-CD2 3.86Å; V634-F638 HydrophobicContact CG1-CE2 3.76Å; V634-F638 WeakPolarHBondContact O-CD2 3.34Å; V634-F638 PolarHBondContact O-N 3.24Å; V634-Y649 HydrophobicContact CG2-CD1 4.32Å; V634-Y649 HydrophobicContact CG2-CE1 3.91Å; V634-V786 HydrophobicContact CG1-CG2 3.43Å; V634-V786 VanDerWaalsContact CG1-CG2 3.43Å; V634-Y794 HydrophobicContact CG2-CD2 3.64Å; V634-Y794 HydrophobicContact CG2-CE2 3.78Å; V634-Y794 HydrophobicContact CG2-CG 4.44Å |
| 635 | A | 76.2 | Confident | 69.4 | Low | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.008 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -56.9 | -42.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | V626 T627 L630 P631 E632 H637 F638 L639 | V626-A635 HydrophobicContact CG1-CB 4.28Å; T627-A635 HydrophobicContact CG2-CB 4.16Å; L630-A635 HydrophobicContact CB-CB 4.25Å; P631-A635 PolarHBondContact O-N 3.38Å; E632-A635 PolarHBondContact O-N 3.03Å; A635-H637 VanDerWaalsContact C-N 3.28Å; A635-H637 PolarHBondContact O-N 2.97Å; A635-F638 PolarHBondContact O-N 2.86Å; A635-L639 HydrophobicContact CB-CD1 4.36Å; A635-L639 VanDerWaalsContact O-CB 3.23Å; A635-L639 WeakPolarHBondContact O-CB 3.37Å; A635-L639 WeakPolarHBondContact O-CG 3.42Å; A635-L639 PolarHBondContact O-N 3.3Å |
| 636 | R | 74.3 | Confident | 68.2 | Low | 97 Ų | 97 | 61.9 Ų | 61.9 | 37% | 0.366 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.4 | -30 | 175 | -70.8 | -172.7 | -133 | 122.9 | -8.7 | 113.7 | E632 V634 G640 | E632-R636 WeakPolarHBondContact O-CG 3.39Å; E632-R636 PolarHBondContact O-N 3.5Å; E632-R636 IonicContact OE1-CZ 3.19Å; E632-R636 IonicContact OE1-NE 2.82Å; E632-R636 IonicContact OE1-NH2 2.91Å; E632-R636 PolarHBondContact OE1-NH2 2.87Å; E632-R636 IonicContact OE2-NH2 2.65Å; E632-R636 PolarHBondContact OE2-NH2 3.37Å; V634-R636 VanDerWaalsContact C-N 3.28Å; V634-R636 PolarHBondContact O-N 3.28Å; R636-G640 WeakPolarHBondContact O-CA 3.21Å; R636-G640 PolarHBondContact O-N 2.97Å; R636-G640 VanDerWaalsContact O-N 3.15Å |
| 637 | H | 73.6 | Confident | 67.1 | Low | 37 Ų | 37 | 68.2 Ų | 68.2 | 17% | 0.171 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.2 | -47.7 | 174.4 | -174.6 | -86.3 | 0 | 0 | 0 | 111.1 | H633 V634 A635 Y649 | H633-H637 PolarHBondContact O-N 3.48Å; V634-H637 WeakPolarHBondContact O-CA 3.35Å; V634-H637 VanDerWaalsContact O-CB 3.26Å; V634-H637 WeakPolarHBondContact O-CB 3.44Å; V634-H637 PolarHBondContact O-N 3.37Å; A635-H637 VanDerWaalsContact C-N 3.28Å; A635-H637 PolarHBondContact O-N 2.97Å; H637-Y649 HydrophobicContact CB-CD2 4.27Å; H637-Y649 AromaticContact CG-CD2 3.98Å |
| 638 | F | 69.4 | Low | 66.5 | Low | 55 Ų | 55 | 68.8 Ų | 68.8 | 24% | 0.241 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -78.7 | -27.1 | -179.6 | -73.4 | -82 | 0 | 0 | 0 | 114.2 | V634 A635 V786 P792 | V634-F638 HydrophobicContact CG1-CD2 3.86Å; V634-F638 HydrophobicContact CG1-CE2 3.76Å; V634-F638 WeakPolarHBondContact O-CD2 3.34Å; V634-F638 PolarHBondContact O-N 3.24Å; A635-F638 PolarHBondContact O-N 2.86Å; F638-V786 HydrophobicContact CE2-CB 3.98Å; F638-V786 HydrophobicContact CE2-CG1 3.92Å; F638-V786 HydrophobicContact CE2-CG2 3.79Å; F638-V786 HydrophobicContact CZ-CB 3.92Å; F638-V786 HydrophobicContact CZ-CG1 3.67Å; F638-V786 HydrophobicContact CZ-CG2 4.26Å; F638-P792 HydrophobicContact CZ-CB 4.49Å |
| 639 | L | 68.6 | Low | 66 | Low | 59 Ų | 59 | 68.3 Ų | 68.3 | 31% | 0.309 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -85.7 | -8.2 | 175.9 | -65.8 | 172 | 0 | 0 | 0 | 112.7 | Q30 E623 V626 A635 | Q30-L639 HydrophobicContact CG-CD2 4.06Å; E623-L639 HydrophobicContact CG-CD1 4.25Å; V626-L639 HydrophobicContact CG1-CD1 4.07Å; V626-L639 HydrophobicContact CG1-CD2 4.34Å; V626-L639 HydrophobicContact CG1-CG 4.29Å; A635-L639 HydrophobicContact CB-CD1 4.36Å; A635-L639 VanDerWaalsContact O-CB 3.23Å; A635-L639 WeakPolarHBondContact O-CB 3.37Å; A635-L639 WeakPolarHBondContact O-CG 3.42Å; A635-L639 PolarHBondContact O-N 3.3Å |
| 640 | G | 62.3 | Low | 65.9 | Low | 20 Ų | 20 | 70.3 Ų | 70.3 | 21% | 0.206 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -106.7 | 113.1 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | R636 R644 | R636-G640 WeakPolarHBondContact O-CA 3.21Å; R636-G640 PolarHBondContact O-N 2.97Å; R636-G640 VanDerWaalsContact O-N 3.15Å; G640-R644 PolarHBondContact O-NE 2.98Å; G640-R644 PolarHBondContact O-NH2 2.85Å |
| 641 | S | 52.1 | Low | 65.9 | Low | 86 Ų | 86 | 72.8 Ų | 72.8 | 60% | 0.601 | 35% | 0.353 | S | S | * | . | trans | 56.1 | 120.4 | 171.3 | -172.4 | 0 | 0 | 0 | 0 | 116.8 | K643 R644 | S641-K643 PolarHBondContact O-N 2.85Å; S641-R644 PolarHBondContact O-N 3.25Å | ||
| 642 | K | 52.6 | Low | 66 | Low | 98 Ų | 98 | 76.2 Ų | 76.2 | 43% | 0.426 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.4 | -15.6 | -177.9 | -67.7 | -175.5 | 179.2 | -174.2 | 0 | 116.8 | E25 | E25-K642 WeakPolarHBondContact OE1-CE 3.3Å; E25-K642 IonicContact OE1-NZ 2.76Å; E25-K642 PolarHBondContact OE1-NZ 2.75Å; E25-K642 WeakPolarHBondContact OE2-CE 3.43Å; E25-K642 IonicContact OE2-NZ 3.63Å; E25-K642 PolarHBondContact OE2-NZ 3.42Å |
| 643 | K | 46.7 | Very low | 66.4 | Low | 201 Ų | 201 | 71.5 Ų | 71.5 | 87% | 0.874 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -3.8 | -176 | -84.1 | -172.1 | 174 | -176.5 | 0 | 115 | S641 | S641-K643 PolarHBondContact O-N 2.85Š|
| 644 | R | 48.1 | Very low | 66.9 | Low | 106 Ų | 106 | 75.4 Ų | 75.4 | 40% | 0.4 | 38% | 0.375 | S | S | . | . | trans | -108.8 | 3.3 | -176.3 | -70.9 | -174.2 | -69.3 | -165.2 | 0.8 | 114.9 | G640 S641 E646 E647 | G640-R644 PolarHBondContact O-NE 2.98Å; G640-R644 PolarHBondContact O-NH2 2.85Å; S641-R644 PolarHBondContact O-N 3.25Å; R644-E646 PolarHBondContact O-N 3.23Å; R644-E646 VanDerWaalsContact O-N 3.08Å; R644-E647 PolarHBondContact O-N 3.04Å; R644-E647 VanDerWaalsContact O-N 3.09Å | ||
| 645 | D | 48.8 | Very low | 67.4 | Low | 100 Ų | 100 | 77 Ų | 77 | 54% | 0.535 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -14.8 | -174.7 | -68.5 | -14.9 | 0 | 0 | 0 | 113.9 | ||
| 646 | E | 50.6 | Low | 68.2 | Low | 190 Ų | 190 | 77 Ų | 77 | 89% | 0.888 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | -9.7 | 177.1 | -61 | -168.1 | 166.2 | 0 | 0 | 114.3 | R644 | R644-E646 PolarHBondContact O-N 3.23Å; R644-E646 VanDerWaalsContact O-N 3.08Å |
| 647 | E | 55.8 | Low | 69.2 | Low | 134 Ų | 134 | 72.4 Ų | 72.4 | 63% | 0.626 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -91.9 | 117 | -175.5 | -159.1 | 169.6 | -166.4 | 0 | 0 | 111 | R644 Y649 | R644-E647 PolarHBondContact O-N 3.04Å; R644-E647 VanDerWaalsContact O-N 3.09Å; E647-Y649 PolarHBondContact O-N 2.87Å |
| 648 | L | 66.4 | Low | 70.3 | Confident | 64 Ų | 64 | 70.6 Ų | 70.6 | 34% | 0.335 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 120.8 | 179.2 | -65 | 166.5 | 0 | 0 | 0 | 110.2 | N100 S650 | N100-L648 HydrophobicContact CB-CD1 4.04Å; N100-L648 HydrophobicContact CB-CD2 4.4Å; N100-L648 VanDerWaalsContact CG-CD2 3.43Å; N100-L648 VanDerWaalsContact ND2-CD1 3.29Å; N100-L648 WeakPolarHBondContact ND2-CD1 3.5Å; N100-L648 WeakPolarHBondContact ND2-CD2 3.45Å; L648-S650 PolarHBondContact O-N 3.37Å |
| 649 | Y | 74.1 | Confident | 71.6 | Confident | 25 Ų | 25 | 68 Ų | 68 | 10% | 0.098 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 117.5 | 173 | -176.8 | -89.7 | 0 | 0 | 0 | 109.9 | H633 V634 H637 E647 Q651 G785 V786 Y794 | H633-Y649 AromaticContact CD2-CZ 3.91Å; H633-Y649 PolarHBondContact CD2-OH 3.01Å; H633-Y649 PolarHBondContact NE2-OH 2.88Å; V634-Y649 HydrophobicContact CG2-CD1 4.32Å; V634-Y649 HydrophobicContact CG2-CE1 3.91Å; H637-Y649 HydrophobicContact CB-CD2 4.27Å; H637-Y649 AromaticContact CG-CD2 3.98Å; E647-Y649 PolarHBondContact O-N 2.87Å; Y649-Q651 HydrophobicContact CE1-CB 4.48Å; Y649-Q651 PolarHBondContact OH-OE1 3.45Å; Y649-G785 CarbonylContact O-C 3.57Å; Y649-G785 WeakPolarHBondContact O-CA 3.36Å; Y649-V786 HydrophobicContact CD1-CG2 4.01Å; Y649-V786 HydrophobicContact CG-CG2 4.32Å; Y649-V786 PolarHBondContact O-N 3.41Å; Y649-Y794 HydrophobicContact CE1-CE2 4.27Å |
| 650 | S | 76 | Confident | 73 | Confident | 51 Ų | 51 | 66 Ų | 66 | 36% | 0.357 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 136.5 | 172.2 | 63.7 | 0 | 0 | 0 | 0 | 110.5 | L648 A784 | L648-S650 PolarHBondContact O-N 3.37Å; S650-A784 WeakPolarHBondContact CA-O 3.42Å |
| 651 | Q | 79.9 | Confident | 74.7 | Confident | 57 Ų | 57 | 65.1 Ų | 65.1 | 27% | 0.266 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 128.8 | 179.6 | -174.7 | 170.2 | 0.1 | 0 | 0 | 110.5 | Y649 Y653 A784 | Y649-Q651 HydrophobicContact CE1-CB 4.48Å; Y649-Q651 PolarHBondContact OH-OE1 3.45Å; Q651-Y653 HydrophobicContact CB-CE2 3.86Å; Q651-Y653 VanDerWaalsContact CD-CZ 3.4Å; Q651-Y653 VanDerWaalsContact CD-OH 3.27Å; Q651-Y653 HydrophobicContact CG-CD2 4.23Å; Q651-Y653 HydrophobicContact CG-CE1 4.36Å; Q651-Y653 HydrophobicContact CG-CE2 3.68Å; Q651-Y653 PolarHBondContact OE1-OH 3.44Å; Q651-A784 PolarHBondContact N-O 2.82Å; Q651-A784 PolarHBondContact O-N 3.44Å |
| 652 | S | 81.8 | Confident | 76.8 | Confident | 74 Ų | 74 | 61.1 Ų | 61.1 | 52% | 0.517 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 139.4 | 172.6 | -167.9 | 0 | 0 | 0 | 0 | 110.1 | ||
| 653 | Y | 85.9 | Confident | 78.8 | Confident | 20 Ų | 20 | 56.6 Ų | 56.6 | 8% | 0.078 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 129.8 | 176.4 | -65 | -92.7 | 0 | 0 | 0 | 108.9 | Q651 I656 V721 G781 V782 A784 | Q651-Y653 HydrophobicContact CB-CE2 3.86Å; Q651-Y653 VanDerWaalsContact CD-CZ 3.4Å; Q651-Y653 VanDerWaalsContact CD-OH 3.27Å; Q651-Y653 HydrophobicContact CG-CD2 4.23Å; Q651-Y653 HydrophobicContact CG-CE1 4.36Å; Q651-Y653 HydrophobicContact CG-CE2 3.68Å; Q651-Y653 PolarHBondContact OE1-OH 3.44Å; Y653-I656 HydrophobicContact CD1-CD1 3.94Å; Y653-I656 HydrophobicContact CD2-CD1 3.9Å; Y653-I656 HydrophobicContact CG-CD1 3.45Å; Y653-I656 VanDerWaalsContact CG-CD1 3.45Å; Y653-I656 HydrophobicContact CG-CG1 4.36Å; Y653-V721 HydrophobicContact CE1-CG1 4.48Å; Y653-V721 HydrophobicContact CE2-CG1 4.09Å; Y653-G781 CarbonylContact O-C 3.6Å; Y653-G781 WeakPolarHBondContact O-CA 3.44Å; Y653-V782 PolarHBondContact N-O 2.82Å; Y653-V782 PolarHBondContact O-N 3.39Å; Y653-A784 HydrophobicContact CD2-CB 4.02Å; Y653-A784 HydrophobicContact CE2-CB 3.58Å |
| 654 | D | 84.7 | Confident | 80.9 | Confident | 108 Ų | 108 | 47.9 Ų | 47.9 | 58% | 0.578 | 24% | 0.242 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -91.9 | -24.7 | -175.1 | -54.7 | -45 | 0 | 0 | 0 | 113 | G780 G781 | D654-G780 CarbonylContact O-C 3.57Å; D654-G780 VanDerWaalsContact O-C 3.26Å; D654-G781 WeakPolarHBondContact O-CA 3.27Å; D654-G781 PolarHBondContact O-N 3.47Å; D654-G781 VanDerWaalsContact O-N 3.12Å |
| 655 | E | 88.8 | Confident | 83 | Confident | 35 Ų | 35 | 44.2 Ų | 44.2 | 16% | 0.164 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 81.6 | -170.6 | -56.1 | -164.7 | 112.9 | 0 | 0 | 111 | R742 W743 H745 | E655-R742 IonicContact OE1-CZ 3.83Å; E655-R742 IonicContact OE1-NE 3.23Å; E655-R742 PolarHBondContact OE1-NE 3.08Å; E655-R742 IonicContact OE1-NH1 3.66Å; E655-R742 IonicContact OE1-NH2 3.89Å; E655-R742 PolarHBondContact OE1-NH2 3.46Å; E655-R742 IonicContact OE2-CZ 2.78Å; E655-R742 VanDerWaalsContact OE2-CZ 3.32Å; E655-R742 IonicContact OE2-NE 3.22Å; E655-R742 PolarHBondContact OE2-NE 3.42Å; E655-R742 IonicContact OE2-NH2 3.78Å; E655-R742 PolarHBondContact OE2-NH2 3.09Å; E655-W743 HydrophobicContact CB-CH2 3.98Å; E655-W743 HydrophobicContact CB-CZ2 4.09Å; E655-W743 HydrophobicContact CB-CZ3 4.46Å; E655-W743 HydrophobicContact CG-CH2 4.39Å; E655-W743 HydrophobicContact CG-CZ2 4.08Å; E655-H745 PolarHBondContact O-CE1 3.25Å |
| 656 | I | 92.5 | Very high | 84.9 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 144.4 | 178.7 | -77.6 | -176.4 | 0 | 0 | 0 | 110.3 | Y653 V658 A718 S719 V721 K779 G780 V782 | Y653-I656 HydrophobicContact CD1-CD1 3.94Å; Y653-I656 HydrophobicContact CD2-CD1 3.9Å; Y653-I656 HydrophobicContact CG-CD1 3.45Å; Y653-I656 VanDerWaalsContact CG-CD1 3.45Å; Y653-I656 HydrophobicContact CG-CG1 4.36Å; I656-V658 HydrophobicContact CG2-CG2 3.82Å; I656-A718 HydrophobicContact CG2-CB 4.17Å; I656-S719 WeakPolarHBondContact CA-O 3.37Å; I656-S719 WeakPolarHBondContact CG2-O 3.45Å; I656-V721 HydrophobicContact CD1-CB 4.28Å; I656-V721 HydrophobicContact CD1-CG1 4.16Å; I656-V721 HydrophobicContact CD1-CG2 3.81Å; I656-V721 HydrophobicContact CG1-CG2 4.44Å; I656-V721 HydrophobicContact CG2-CG2 4.45Å; I656-K779 CarbonylContact O-C 3.53Å; I656-K779 VanDerWaalsContact O-CA 3.28Å; I656-K779 WeakPolarHBondContact O-CA 3.37Å; I656-G780 PolarHBondContact N-O 2.79Å; I656-G780 VanDerWaalsContact N-O 3.14Å; I656-G780 PolarHBondContact O-N 2.84Å; I656-V782 HydrophobicContact CB-CG2 3.94Å; I656-V782 HydrophobicContact CD1-CG2 3.35Å; I656-V782 HydrophobicContact CG1-CG2 4.12Å; I656-V782 HydrophobicContact CG2-CG2 3.92Å |
| 657 | G | 95.3 | Very high | 86.5 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 133.4 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | A718 S719 L749 | G657-A718 CarbonylContact O-C 3.59Å; G657-A718 WeakPolarHBondContact O-CA 3.48Å; G657-A718 WeakPolarHBondContact O-CB 3.5Å; G657-S719 PolarHBondContact N-O 3.25Å; G657-S719 VanDerWaalsContact N-O 3.1Å; G657-S719 PolarHBondContact O-N 3.23Å; G657-L749 VanDerWaalsContact C-CD2 3.47Å |
| 658 | V | 96.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 134.5 | 177.1 | -176.7 | 0 | 0 | 0 | 0 | 109.8 | I656 F660 L777 N778 V782 I796 T800 V801 A804 | I656-V658 HydrophobicContact CG2-CG2 3.82Å; V658-F660 HydrophobicContact CG1-CD2 4.23Å; V658-F660 HydrophobicContact CG1-CE2 3.86Å; V658-L777 WeakPolarHBondContact O-CA 3.4Å; V658-N778 PolarHBondContact N-O 3.03Å; V658-N778 PolarHBondContact O-N 3.28Å; V658-V782 HydrophobicContact CG2-CG1 4.2Å; V658-I796 HydrophobicContact CG2-CD1 4.08Å; V658-T800 HydrophobicContact CB-CG2 4.48Å; V658-T800 HydrophobicContact CG2-CG2 3.95Å; V658-V801 HydrophobicContact CG1-CG2 4.45Å; V658-V801 HydrophobicContact CG2-CG2 4.24Å; V658-A804 HydrophobicContact CB-CB 4.09Å; V658-A804 HydrophobicContact CG1-CB 3.93Å |
| 659 | M | 97.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 134.4 | 178.7 | -171.1 | 179.4 | 67.9 | 0 | 0 | 111.6 | A661 M716 A717 L749 F752 A753 M756 I775 G776 L777 | M659-A661 HydrophobicContact CE-CB 4.44Å; M659-M716 WeakPolarHBondContact O-CA 3.41Å; M659-A717 HydrophobicContact CE-CB 4.1Å; M659-A717 PolarHBondContact N-O 3.41Å; M659-A717 PolarHBondContact O-N 2.78Å; M659-A717 VanDerWaalsContact O-N 3.07Å; M659-L749 HydrophobicContact CB-CD1 3.98Å; M659-L749 HydrophobicContact CB-CD2 4.14Å; M659-L749 HydrophobicContact CB-CG 4.2Å; M659-L749 HydrophobicContact CE-CD1 4.43Å; M659-L749 HydrophobicContact SD-CD1 4.4Å; M659-F752 HydrophobicContact CE-CD1 3.57Å; M659-F752 HydrophobicContact CE-CE1 3.62Å; M659-F752 HydrophobicContact SD-CD1 4.46Å; M659-A753 HydrophobicContact SD-CB 3.63Å; M659-M756 HydrophobicContact CE-SD 3.57Å; M659-M756 VanDerWaalsContact CE-SD 3.57Å; M659-I775 HydrophobicContact CG-CG2 3.66Å; M659-I775 HydrophobicContact SD-CG2 3.84Å; M659-G776 WeakPolarHBondContact CA-O 3.41Å; M659-L777 HydrophobicContact CB-CD2 3.54Å; M659-L777 HydrophobicContact CG-CD2 3.58Å; M659-L777 HydrophobicContact CG-CG 4.25Å; M659-L777 HydrophobicContact SD-CD2 4.12Å |
| 660 | F | 97.7 | Very high | 89.3 | Confident | 17 Ų | 17 | 35.4 Ų | 35.4 | 8% | 0.075 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 124.4 | 163.4 | -75.6 | -98.7 | 0 | 0 | 0 | 108.8 | V658 T714 M716 I775 G776 V801 A804 E808 | V658-F660 HydrophobicContact CG1-CD2 4.23Å; V658-F660 HydrophobicContact CG1-CE2 3.86Å; F660-T714 HydrophobicContact CB-CG2 4.5Å; F660-T714 HydrophobicContact CD1-CG2 4.01Å; F660-M716 HydrophobicContact CD1-CB 4.47Å; F660-M716 HydrophobicContact CD1-CG 4.41Å; F660-M716 HydrophobicContact CE1-CB 4.3Å; F660-M716 HydrophobicContact CE1-CG 3.97Å; F660-M716 HydrophobicContact CE1-SD 3.9Å; F660-M716 HydrophobicContact CE2-CE 4.31Å; F660-M716 HydrophobicContact CE2-CG 4.36Å; F660-M716 HydrophobicContact CZ-CE 3.87Å; F660-M716 HydrophobicContact CZ-CG 3.94Å; F660-M716 HydrophobicContact CZ-SD 3.69Å; F660-I775 CarbonylContact O-C 3.26Å; F660-I775 VanDerWaalsContact O-CA 3.28Å; F660-I775 WeakPolarHBondContact O-CA 3.26Å; F660-G776 PolarHBondContact N-O 2.83Å; F660-G776 PolarHBondContact O-N 3.47Å; F660-V801 HydrophobicContact CE2-CG1 3.84Å; F660-V801 HydrophobicContact CZ-CG1 3.8Å; F660-A804 HydrophobicContact CD2-CB 3.8Å; F660-A804 HydrophobicContact CE2-CB 4.11Å; F660-E808 HydrophobicContact CB-CB 3.69Å; F660-E808 HydrophobicContact CB-CG 3.96Å |
| 661 | A | 97.3 | Very high | 89.6 | Confident | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.008 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 111 | 177.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | M659 T714 Y715 M756 I775 | M659-A661 HydrophobicContact CE-CB 4.44Å; A661-T714 CarbonylContact O-C 3.54Å; A661-T714 WeakPolarHBondContact O-CA 3.26Å; A661-Y715 PolarHBondContact N-O 2.68Å; A661-Y715 PolarHBondContact O-N 3.07Å; A661-M756 HydrophobicContact CB-CE 3.87Å; A661-M756 HydrophobicContact CB-SD 4.39Å; A661-I775 HydrophobicContact CB-CD1 4.2Å; A661-I775 HydrophobicContact CB-CG1 3.78Å; A661-I775 HydrophobicContact CB-CG2 4.47Å |
| 662 | S | 96.3 | Very high | 89.6 | Confident | 3 Ų | 3 | 35.2 Ų | 35.2 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 158.3 | 179.2 | 74.2 | 0 | 0 | 0 | 0 | 112.3 | P664 T714 L773 R774 E808 | S662-P664 WeakPolarHBondContact O-CD 3.39Å; S662-T714 WeakPolarHBondContact CB-OG1 3.44Å; S662-L773 WeakPolarHBondContact O-CA 3.27Å; S662-R774 PolarHBondContact N-O 3.04Å; S662-R774 PolarHBondContact O-N 3.12Å; S662-R774 PolarHBondContact OG-NE 3.27Å; S662-R774 PolarHBondContact OG-NH2 3.37Å; S662-E808 WeakPolarHBondContact CB-OE1 3.47Å; S662-E808 PolarHBondContact OG-OE1 3.22Å |
| 663 | I | 95.6 | Very high | 89.5 | Confident | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | trans | -112.5 | 90 | 170.2 | -52.4 | 167.5 | 0 | 0 | 0 | 107.3 | F666 L686 I689 S713 F771 L773 | I663-F666 HydrophobicContact CB-CB 4.24Å; I663-F666 HydrophobicContact CG2-CB 3.93Å; I663-F666 WeakPolarHBondContact O-CB 3.29Å; I663-F666 PolarHBondContact O-N 2.98Å; I663-L686 HydrophobicContact CD1-CD1 4.28Å; I663-I689 HydrophobicContact CD1-CD1 4.17Å; I663-I689 HydrophobicContact CD1-CG2 3.81Å; I663-S713 PolarHBondContact N-O 3.1Å; I663-S713 PolarHBondContact O-OG 3.48Å; I663-F771 HydrophobicContact CG2-CB 3.88Å; I663-F771 HydrophobicContact CG2-CD1 3.79Å; I663-F771 HydrophobicContact CG2-CG 4.16Å; I663-L773 HydrophobicContact CG1-CD2 3.75Å | ||
| 664 | P | 90.8 | Very high | 88.5 | Confident | 19 Ų | 19 | 41.3 Ų | 41.3 | 12% | 0.123 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -40.7 | -170.2 | -22.6 | 36.1 | 0 | 0 | 0 | 112.7 | S662 F666 S667 M772 R774 M813 | S662-P664 WeakPolarHBondContact O-CD 3.39Å; P664-F666 PolarHBondContact O-N 2.94Å; P664-F666 VanDerWaalsContact O-N 3.16Å; P664-S667 PolarHBondContact O-N 3.12Å; P664-S667 PolarHBondContact O-OG 2.96Å; P664-M772 WeakPolarHBondContact CD-O 3.39Å; P664-R774 HydrophobicContact CG-CB 3.88Å; P664-M813 HydrophobicContact CB-CE 3.62Å; P664-M813 HydrophobicContact CB-SD 4.17Å; P664-M813 HydrophobicContact CG-CE 4.28Å; P664-M813 HydrophobicContact CG-CG 4.2Å; P664-M813 HydrophobicContact CG-SD 4.35Å |
| 665 | N | 90.4 | Very high | 87.7 | Confident | 28 Ų | 28 | 42.6 Ų | 42.6 | 15% | 0.15 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | 1.7 | -179.6 | 64.1 | -29.4 | 0 | 0 | 0 | 113.9 | S667 D668 F669 N770 M772 | N665-S667 PolarHBondContact O-N 3.22Å; N665-D668 PolarHBondContact O-N 3.5Å; N665-F669 PolarHBondContact O-N 2.96Å; N665-N770 PolarHBondContact ND2-O 2.92Å; N665-M772 PolarHBondContact OD1-N 3.1Å; N665-M772 VanDerWaalsContact OD1-N 3.11Å |
| 666 | F | 89.6 | Confident | 86.8 | Confident | 13 Ų | 13 | 42.9 Ų | 42.9 | 6% | 0.057 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.8 | -30.9 | 167.6 | -172.9 | -95.5 | 0 | 0 | 0 | 111.6 | I663 P664 D668 F669 Y670 C682 L683 L686 F771 | I663-F666 HydrophobicContact CB-CB 4.24Å; I663-F666 HydrophobicContact CG2-CB 3.93Å; I663-F666 WeakPolarHBondContact O-CB 3.29Å; I663-F666 PolarHBondContact O-N 2.98Å; P664-F666 PolarHBondContact O-N 2.94Å; P664-F666 VanDerWaalsContact O-N 3.16Å; F666-D668 VanDerWaalsContact C-N 3.28Å; F666-D668 PolarHBondContact O-N 2.93Å; F666-F669 HydrophobicContact CD2-CD1 4.12Å; F666-F669 AromaticContact CE2-CD1 3.86Å; F666-F669 HydrophobicContact CE2-CD1 3.86Å; F666-F669 HydrophobicContact CE2-CE1 4.27Å; F666-F669 PolarHBondContact O-N 3.32Å; F666-F669 VanDerWaalsContact O-N 3.17Å; F666-Y670 HydrophobicContact CE1-CD2 4.13Å; F666-Y670 HydrophobicContact CE1-CG 4.48Å; F666-Y670 HydrophobicContact CZ-CD2 4.46Å; F666-Y670 WeakPolarHBondContact O-CB 3.45Å; F666-Y670 PolarHBondContact O-N 3.23Å; F666-C682 HydrophobicContact CZ-CB 4.33Å; F666-C682 WeakPolarHBondContact CZ-O 3.47Å; F666-L683 HydrophobicContact CE1-CD2 4.36Å; F666-L683 HydrophobicContact CZ-CD2 4.36Å; F666-L686 HydrophobicContact CD2-CD1 4.44Å; F666-L686 HydrophobicContact CE1-CD2 4.04Å; F666-L686 HydrophobicContact CE2-CB 3.81Å; F666-L686 HydrophobicContact CE2-CD1 4.36Å; F666-L686 HydrophobicContact CE2-CG 4.48Å; F666-L686 HydrophobicContact CZ-CB 3.74Å; F666-L686 HydrophobicContact CZ-CD2 4.05Å; F666-L686 HydrophobicContact CZ-CG 4.34Å; F666-F771 HydrophobicContact CD2-CE1 4.04Å; F666-F771 HydrophobicContact CD2-CZ 4.45Å |
| 667 | S | 83.6 | Confident | 86.1 | Confident | 84 Ų | 84 | 47.5 Ų | 47.5 | 59% | 0.587 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -62.8 | -34.2 | 177.2 | 57.6 | 0 | 0 | 0 | 0 | 113 | P664 N665 | P664-S667 PolarHBondContact O-N 3.12Å; P664-S667 PolarHBondContact O-OG 2.96Å; N665-S667 PolarHBondContact O-N 3.22Å |
| 668 | D | 84.4 | Confident | 85.2 | Confident | 131 Ų | 131 | 47.8 Ų | 47.8 | 70% | 0.701 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -75.2 | -29 | 175.6 | -55.1 | -45.5 | 0 | 0 | 0 | 112.3 | N665 F666 | N665-D668 PolarHBondContact O-N 3.5Å; F666-D668 VanDerWaalsContact C-N 3.28Å; F666-D668 PolarHBondContact O-N 2.93Å |
| 669 | F | 85.1 | Confident | 84.6 | Confident | 67 Ų | 67 | 47.8 Ų | 47.8 | 29% | 0.294 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -78.1 | -32.1 | 176.5 | 175.5 | -101.8 | 0 | 0 | 0 | 112.6 | N665 F666 T671 C682 F685 F771 | N665-F669 PolarHBondContact O-N 2.96Å; F666-F669 HydrophobicContact CD2-CD1 4.12Å; F666-F669 AromaticContact CE2-CD1 3.86Å; F666-F669 HydrophobicContact CE2-CD1 3.86Å; F666-F669 HydrophobicContact CE2-CE1 4.27Å; F666-F669 PolarHBondContact O-N 3.32Å; F666-F669 VanDerWaalsContact O-N 3.17Å; F669-T671 PolarHBondContact O-N 3Å; F669-C682 HydrophobicContact CD1-CB 4.21Å; F669-C682 HydrophobicContact CE1-CB 3.87Å; F669-F685 HydrophobicContact CE1-CB 4.46Å; F669-F771 HydrophobicContact CB-CE1 3.85Å; F669-F771 HydrophobicContact CB-CZ 4.15Å; F669-F771 HydrophobicContact CD1-CE1 4.2Å; F669-F771 AromaticContact CD1-CZ 3.81Å; F669-F771 HydrophobicContact CD1-CZ 3.81Å; F669-F771 HydrophobicContact CD2-CE1 4.47Å; F669-F771 AromaticContact CD2-CZ 3.95Å; F669-F771 HydrophobicContact CD2-CZ 3.95Å; F669-F771 HydrophobicContact CE1-CZ 4.14Å; F669-F771 HydrophobicContact CE2-CZ 4.28Å; F669-F771 AromaticContact CG-CE1 3.93Å; F669-F771 HydrophobicContact CG-CE1 3.93Å; F669-F771 AromaticContact CG-CZ 3.7Å; F669-F771 HydrophobicContact CG-CZ 3.7Å; F669-F771 HydrophobicContact CZ-CZ 4.37Å |
| 670 | Y | 85.1 | Confident | 84.1 | Confident | 34 Ų | 34 | 49.5 Ų | 49.5 | 13% | 0.133 | 27% | 0.27 | C | S | . | . | trans | -71 | 116 | -177.1 | -176.1 | -99.9 | 0 | 0 | 0 | 111.1 | T192 F666 E672 C682 L683 | T192-Y670 HydrophobicContact CG2-CE1 4.32Å; F666-Y670 HydrophobicContact CE1-CD2 4.13Å; F666-Y670 HydrophobicContact CE1-CG 4.48Å; F666-Y670 HydrophobicContact CZ-CD2 4.46Å; F666-Y670 WeakPolarHBondContact O-CB 3.45Å; F666-Y670 PolarHBondContact O-N 3.23Å; Y670-E672 HydrophobicContact CD1-CG 4.43Å; Y670-E672 HydrophobicContact CE1-CG 3.51Å; Y670-E672 WeakPolarHBondContact CE1-OE1 3.49Å; Y670-C682 HydrophobicContact CD2-CB 3.78Å; Y670-C682 HydrophobicContact CE2-CB 4.37Å; Y670-L683 HydrophobicContact CE2-CD1 4.46Å; Y670-L683 HydrophobicContact CE2-CD2 4.17Å; Y670-L683 HydrophobicContact CE2-CG 4.04Å | ||
| 671 | T | 83.4 | Confident | 83.5 | Confident | 49 Ų | 49 | 51.6 Ų | 51.6 | 30% | 0.301 | 28% | 0.28 | S | S | . | . | trans | -132.6 | 130.8 | 177.6 | 49.3 | 0 | 0 | 0 | 0 | 109.8 | F669 E673 N676 | F669-T671 PolarHBondContact O-N 3Å; T671-E673 PolarHBondContact O-N 3.36Å; T671-N676 PolarHBondContact OG1-ND2 2.65Å | ||
| 672 | E | 79.7 | Confident | 83.2 | Confident | 54 Ų | 54 | 51.7 Ų | 51.7 | 25% | 0.252 | 28% | 0.281 | S | S | . | . | trans | -89.2 | 25 | -179.3 | -62.7 | -175.3 | -158.3 | 0 | 0 | 112.5 | S191 T192 Y670 | S191-E672 PolarHBondContact OG-OE1 2.96Å; T192-E672 WeakPolarHBondContact CB-OE1 3.45Å; T192-E672 WeakPolarHBondContact CG2-OE1 3.21Å; T192-E672 PolarHBondContact N-OE1 3.09Å; T192-E672 PolarHBondContact OG1-OE1 3.38Å; Y670-E672 HydrophobicContact CD1-CG 4.43Å; Y670-E672 HydrophobicContact CE1-CG 3.51Å; Y670-E672 WeakPolarHBondContact CE1-OE1 3.49Å | ||
| 673 | E | 78.7 | Confident | 82.9 | Confident | 114 Ų | 114 | 51.7 Ų | 51.7 | 53% | 0.533 | 28% | 0.281 | S | S | . | . | trans | -66.1 | 153.3 | 178.9 | -66 | -176.2 | 180 | 0 | 0 | 111.7 | T671 I675 N676 G678 | T671-E673 PolarHBondContact O-N 3.36Å; E673-I675 PolarHBondContact O-N 3.16Å; E673-N676 PolarHBondContact O-N 2.94Å; E673-G678 PolarHBondContact O-N 3.45Å; E673-G678 VanDerWaalsContact O-N 3.17Å | ||
| 674 | S | 66.8 | Low | 82.6 | Confident | 109 Ų | 109 | 55.2 Ų | 55.2 | 76% | 0.762 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -60.8 | -28.3 | 178.7 | 59.4 | 0 | 0 | 0 | 0 | 112.7 | N676 N677 | S674-N676 PolarHBondContact O-N 3.48Å; S674-N677 PolarHBondContact O-N 3.02Å |
| 675 | I | 66 | Low | 82.6 | Confident | 134 Ų | 134 | 56.5 Ų | 56.5 | 69% | 0.687 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -61.6 | -34.4 | 174.5 | -60.9 | 173.1 | 0 | 0 | 0 | 110.9 | E673 N677 | E673-I675 PolarHBondContact O-N 3.16Å; I675-N677 VanDerWaalsContact C-N 3.29Å; I675-N677 PolarHBondContact O-N 3.26Å |
| 676 | N | 70.1 | Confident | 82.7 | Confident | 42 Ų | 42 | 55.2 Ų | 55.2 | 23% | 0.225 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -93.9 | 21.7 | 179.8 | -69.5 | -23.5 | 0 | 0 | 0 | 112.8 | T671 E673 S674 G678 G679 I680 E681 | T671-N676 PolarHBondContact OG1-ND2 2.65Å; E673-N676 PolarHBondContact O-N 2.94Å; S674-N676 PolarHBondContact O-N 3.48Å; N676-G678 PolarHBondContact O-N 3.45Å; N676-G678 VanDerWaalsContact O-N 3.17Å; N676-G679 PolarHBondContact O-N 3.31Å; N676-I680 PolarHBondContact O-N 2.66Å; N676-E681 PolarHBondContact O-N 3.47Å |
| 677 | N | 78.6 | Confident | 82.9 | Confident | 97 Ų | 97 | 54.6 Ų | 54.6 | 52% | 0.519 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | 50.6 | 38.4 | -175.8 | -67.3 | -36.8 | 0 | 0 | 0 | 112.2 | S674 I675 I680 E681 | S674-N677 PolarHBondContact O-N 3.02Å; I675-N677 VanDerWaalsContact C-N 3.29Å; I675-N677 PolarHBondContact O-N 3.26Å; N677-I680 HydrophobicContact CB-CB 4.31Å; N677-I680 WeakPolarHBondContact O-CG1 3.4Å; N677-E681 PolarHBondContact ND2-OE1 3.32Å |
| 678 | G | 76.5 | Confident | 83.3 | Confident | 5 Ų | 5 | 52 Ų | 52 | 5% | 0.052 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | 70.4 | 30.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | L176 E673 N676 | L176-G678 WeakPolarHBondContact CD1-O 3.22Å; E673-G678 PolarHBondContact O-N 3.45Å; E673-G678 VanDerWaalsContact O-N 3.17Å; N676-G678 PolarHBondContact O-N 3.45Å; N676-G678 VanDerWaalsContact O-N 3.17Å |
| 679 | G | 83 | Confident | 83.7 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | 97.9 | -3.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | N676 E681 C682 L683 | N676-G679 PolarHBondContact O-N 3.31Å; G679-E681 PolarHBondContact O-N 3.25Å; G679-C682 PolarHBondContact O-N 2.96Å; G679-L683 PolarHBondContact O-N 2.81Å |
| 680 | I | 86.9 | Confident | 84.2 | Confident | 36 Ų | 36 | 42.7 Ų | 42.7 | 19% | 0.185 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.2 | -40.2 | -178.1 | -65.5 | 174.3 | 0 | 0 | 0 | 111.5 | M65 L176 N676 N677 C682 L683 R684 | M65-I680 HydrophobicContact CE-CG2 3.81Å; L176-I680 HydrophobicContact CD1-CG1 3.98Å; L176-I680 HydrophobicContact CD2-CD1 4.19Å; L176-I680 HydrophobicContact CD2-CG1 3.78Å; N676-I680 PolarHBondContact O-N 2.66Å; N677-I680 HydrophobicContact CB-CB 4.31Å; N677-I680 WeakPolarHBondContact O-CG1 3.4Å; I680-C682 PolarHBondContact O-N 3.41Å; I680-L683 PolarHBondContact O-N 2.66Å; I680-R684 PolarHBondContact O-N 3.06Å |
| 681 | E | 86.3 | Confident | 84.6 | Confident | 62 Ų | 62 | 41.3 Ų | 41.3 | 29% | 0.29 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -65.1 | -40.2 | -179.5 | -62.5 | -57.7 | 132.9 | 0 | 0 | 111.7 | N676 N677 G679 L683 R684 F685 | N676-E681 PolarHBondContact O-N 3.47Å; N677-E681 PolarHBondContact ND2-OE1 3.32Å; G679-E681 PolarHBondContact O-N 3.25Å; E681-L683 VanDerWaalsContact C-N 3.31Å; E681-L683 PolarHBondContact O-N 3.49Å; E681-R684 WeakPolarHBondContact O-CB 3.41Å; E681-R684 PolarHBondContact O-N 3.41Å; E681-R684 IonicContact OE1-CZ 3.83Å; E681-R684 VanDerWaalsContact OE1-CZ 3.26Å; E681-R684 IonicContact OE1-NH1 3.38Å; E681-R684 PolarHBondContact OE1-NH1 2.76Å; E681-R684 IonicContact OE1-NH2 3.28Å; E681-R684 PolarHBondContact OE1-NH2 3.13Å; E681-R684 IonicContact OE2-CZ 3.74Å; E681-R684 IonicContact OE2-NH1 3.92Å; E681-R684 PolarHBondContact OE2-NH1 3.38Å; E681-R684 IonicContact OE2-NH2 3.13Å; E681-F685 PolarHBondContact O-N 3.03Å; E681-F685 VanDerWaalsContact O-N 3.16Å |
| 682 | C | 89.8 | Confident | 85.1 | Confident | 3 Ų | 3 | 41.6 Ų | 41.6 | 2% | 0.02 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.5 | -41.4 | 174.4 | -61.2 | 0 | 0 | 0 | 0 | 111.5 | F666 F669 Y670 G679 I680 F685 L686 | F666-C682 HydrophobicContact CZ-CB 4.33Å; F666-C682 WeakPolarHBondContact CZ-O 3.47Å; F669-C682 HydrophobicContact CD1-CB 4.21Å; F669-C682 HydrophobicContact CE1-CB 3.87Å; Y670-C682 HydrophobicContact CD2-CB 3.78Å; Y670-C682 HydrophobicContact CE2-CB 4.37Å; G679-C682 PolarHBondContact O-N 2.96Å; I680-C682 PolarHBondContact O-N 3.41Å; C682-F685 WeakPolarHBondContact O-CB 3.34Å; C682-F685 PolarHBondContact O-N 3.41Å; C682-L686 PolarHBondContact O-N 2.92Å; C682-L686 VanDerWaalsContact O-N 3.1Å |
| 683 | L | 90.8 | Very high | 85.9 | Confident | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -72.8 | -28 | 177.7 | -64.4 | 176.2 | 0 | 0 | 0 | 113 | M67 L176 W190 F666 Y670 G679 I680 E681 F685 L686 N687 | M67-L683 HydrophobicContact CE-CB 3.34Å; M67-L683 HydrophobicContact CE-CD1 3.38Å; M67-L683 HydrophobicContact CE-CG 3.99Å; M67-L683 HydrophobicContact SD-CD1 3.71Å; L176-L683 HydrophobicContact CB-CD1 4.21Å; L176-L683 HydrophobicContact CD1-CD1 3.54Å; W190-L683 HydrophobicContact CB-CD1 3.72Å; W190-L683 HydrophobicContact CB-CD2 4.14Å; W190-L683 HydrophobicContact CD2-CD1 4.31Å; W190-L683 HydrophobicContact CE3-CD1 4.43Å; W190-L683 HydrophobicContact CG-CD1 4.02Å; W190-L683 HydrophobicContact CG-CD2 3.94Å; F666-L683 HydrophobicContact CE1-CD2 4.36Å; F666-L683 HydrophobicContact CZ-CD2 4.36Å; Y670-L683 HydrophobicContact CE2-CD1 4.46Å; Y670-L683 HydrophobicContact CE2-CD2 4.17Å; Y670-L683 HydrophobicContact CE2-CG 4.04Å; G679-L683 PolarHBondContact O-N 2.81Å; I680-L683 PolarHBondContact O-N 2.66Å; E681-L683 VanDerWaalsContact C-N 3.31Å; E681-L683 PolarHBondContact O-N 3.49Å; L683-F685 VanDerWaalsContact C-N 3.28Å; L683-F685 PolarHBondContact O-N 3.26Å; L683-L686 HydrophobicContact CD2-CD2 4.16Å; L683-L686 CarbonylContact O-C 3.59Å; L683-L686 WeakPolarHBondContact O-CB 3.27Å; L683-L686 PolarHBondContact O-N 3.24Å; L683-N687 WeakPolarHBondContact O-CB 3.45Å; L683-N687 PolarHBondContact O-N 2.81Å |
| 684 | R | 90.1 | Very high | 86.6 | Confident | 76 Ų | 76 | 33.7 Ų | 33.7 | 29% | 0.287 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -61.1 | -41.9 | 169.6 | -165.3 | 179.8 | -62.3 | 134.7 | 15 | 110.5 | M65 I680 E681 L686 N687 E688 | M65-R684 HydrophobicContact CE-CB 3.93Å; M65-R684 HydrophobicContact CE-CG 4.39Å; M65-R684 HydrophobicContact SD-CB 4.24Å; I680-R684 PolarHBondContact O-N 3.06Å; E681-R684 WeakPolarHBondContact O-CB 3.41Å; E681-R684 PolarHBondContact O-N 3.41Å; E681-R684 IonicContact OE1-CZ 3.83Å; E681-R684 VanDerWaalsContact OE1-CZ 3.26Å; E681-R684 IonicContact OE1-NH1 3.38Å; E681-R684 PolarHBondContact OE1-NH1 2.76Å; E681-R684 IonicContact OE1-NH2 3.28Å; E681-R684 PolarHBondContact OE1-NH2 3.13Å; E681-R684 IonicContact OE2-CZ 3.74Å; E681-R684 IonicContact OE2-NH1 3.92Å; E681-R684 PolarHBondContact OE2-NH1 3.38Å; E681-R684 IonicContact OE2-NH2 3.13Å; R684-L686 PolarHBondContact O-N 3.33Å; R684-N687 VanDerWaalsContact O-CB 3.28Å; R684-N687 WeakPolarHBondContact O-CB 3.2Å; R684-N687 PolarHBondContact O-N 2.93Å; R684-N687 VanDerWaalsContact O-N 3.17Å; R684-E688 PolarHBondContact O-N 2.98Å; R684-E688 VanDerWaalsContact O-N 3.11Å |
| 685 | F | 90.3 | Very high | 87.9 | Confident | 46 Ų | 46 | 31.4 Ų | 31.4 | 20% | 0.202 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.2 | -41.8 | 174.5 | -159.3 | -89.3 | 0 | 0 | 0 | 112.2 | F669 E681 C682 L683 N687 E688 I689 I763 S767 F771 | F669-F685 HydrophobicContact CE1-CB 4.46Å; E681-F685 PolarHBondContact O-N 3.03Å; E681-F685 VanDerWaalsContact O-N 3.16Å; C682-F685 WeakPolarHBondContact O-CB 3.34Å; C682-F685 PolarHBondContact O-N 3.41Å; L683-F685 VanDerWaalsContact C-N 3.28Å; L683-F685 PolarHBondContact O-N 3.26Å; F685-N687 VanDerWaalsContact C-N 3.3Å; F685-N687 PolarHBondContact O-N 3.46Å; F685-E688 PolarHBondContact O-N 3.18Å; F685-I689 HydrophobicContact CD1-CD1 3.67Å; F685-I689 HydrophobicContact CD1-CG1 4.23Å; F685-I689 HydrophobicContact CE1-CD1 3.65Å; F685-I689 HydrophobicContact CE1-CG1 4.04Å; F685-I689 PolarHBondContact O-N 3.04Å; F685-I689 VanDerWaalsContact O-N 3.16Å; F685-I763 HydrophobicContact CE1-CG2 3.95Å; F685-I763 HydrophobicContact CZ-CG2 3.65Å; F685-S767 VanDerWaalsContact CZ-OG 3.32Å; F685-S767 WeakPolarHBondContact CZ-OG 3.42Å; F685-F771 HydrophobicContact CD1-CD2 4.44Å; F685-F771 AromaticContact CD1-CE2 3.67Å; F685-F771 HydrophobicContact CD1-CE2 3.67Å; F685-F771 HydrophobicContact CD1-CZ 4.24Å; F685-F771 AromaticContact CE1-CD2 3.79Å; F685-F771 HydrophobicContact CE1-CD2 3.79Å; F685-F771 AromaticContact CE1-CE2 3.28Å; F685-F771 HydrophobicContact CE1-CE2 3.28Å; F685-F771 HydrophobicContact CE1-CZ 4.26Å; F685-F771 HydrophobicContact CZ-CE2 4.17Å |
| 686 | L | 92.5 | Very high | 89.3 | Confident | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.6 | -39.2 | 173 | -174.8 | 61.3 | 0 | 0 | 0 | 111.8 | L180 I663 F666 C682 L683 R684 E688 I689 I690 | L180-L686 HydrophobicContact CD1-CD2 4.14Å; I663-L686 HydrophobicContact CD1-CD1 4.28Å; F666-L686 HydrophobicContact CD2-CD1 4.44Å; F666-L686 HydrophobicContact CE1-CD2 4.04Å; F666-L686 HydrophobicContact CE2-CB 3.81Å; F666-L686 HydrophobicContact CE2-CD1 4.36Å; F666-L686 HydrophobicContact CE2-CG 4.48Å; F666-L686 HydrophobicContact CZ-CB 3.74Å; F666-L686 HydrophobicContact CZ-CD2 4.05Å; F666-L686 HydrophobicContact CZ-CG 4.34Å; C682-L686 PolarHBondContact O-N 2.92Å; C682-L686 VanDerWaalsContact O-N 3.1Å; L683-L686 HydrophobicContact CD2-CD2 4.16Å; L683-L686 CarbonylContact O-C 3.59Å; L683-L686 WeakPolarHBondContact O-CB 3.27Å; L683-L686 PolarHBondContact O-N 3.24Å; R684-L686 PolarHBondContact O-N 3.33Å; L686-E688 VanDerWaalsContact C-N 3.31Å; L686-E688 PolarHBondContact O-N 3.38Å; L686-I689 PolarHBondContact O-N 2.93Å; L686-I690 HydrophobicContact CD1-CG1 4.23Å; L686-I690 HydrophobicContact CG-CG1 4.3Å; L686-I690 VanDerWaalsContact O-CG1 3.26Å; L686-I690 WeakPolarHBondContact O-CG1 3.1Å; L686-I690 PolarHBondContact O-N 3.45Å |
| 687 | N | 92.9 | Very high | 90.4 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58.8 | -42.6 | 176.7 | -168 | 55.1 | 0 | 0 | 0 | 111.8 | M65 L180 G181 L683 R684 F685 I690 S691 | M65-N687 HydrophobicContact CG-CB 4.49Å; M65-N687 HydrophobicContact SD-CB 3.99Å; L180-N687 WeakPolarHBondContact CA-OD1 3.48Å; L180-N687 HydrophobicContact CD2-CB 3.81Å; G181-N687 PolarHBondContact N-OD1 3.47Å; L683-N687 WeakPolarHBondContact O-CB 3.45Å; L683-N687 PolarHBondContact O-N 2.81Å; R684-N687 VanDerWaalsContact O-CB 3.28Å; R684-N687 WeakPolarHBondContact O-CB 3.2Å; R684-N687 PolarHBondContact O-N 2.93Å; R684-N687 VanDerWaalsContact O-N 3.17Å; F685-N687 VanDerWaalsContact C-N 3.3Å; F685-N687 PolarHBondContact O-N 3.46Å; N687-I690 PolarHBondContact O-N 2.58Å; N687-S691 VanDerWaalsContact O-CB 3.24Å; N687-S691 WeakPolarHBondContact O-CB 3.49Å; N687-S691 PolarHBondContact O-N 3.36Å; N687-S691 PolarHBondContact O-OG 3.32Å |
| 688 | E | 92.2 | Very high | 90.9 | Very high | 29 Ų | 29 | 25.5 Ų | 25.5 | 14% | 0.136 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.5 | -46.7 | 176.6 | -64.5 | -50.7 | 142.5 | 0 | 0 | 111.5 | F62 N63 R684 F685 L686 I690 S691 D692 | F62-E688 HydrophobicContact CD1-CG 4.03Å; N63-E688 WeakPolarHBondContact CB-OE1 3.48Å; N63-E688 PolarHBondContact N-OE1 3.04Å; N63-E688 PolarHBondContact ND2-OE2 2.99Å; R684-E688 PolarHBondContact O-N 2.98Å; R684-E688 VanDerWaalsContact O-N 3.11Å; F685-E688 PolarHBondContact O-N 3.18Å; L686-E688 VanDerWaalsContact C-N 3.31Å; L686-E688 PolarHBondContact O-N 3.38Å; E688-I690 VanDerWaalsContact C-N 3.32Å; E688-I690 PolarHBondContact O-N 3.27Å; E688-S691 PolarHBondContact O-N 2.96Å; E688-S691 VanDerWaalsContact O-N 3.12Å; E688-D692 PolarHBondContact O-N 2.91Å |
| 689 | I | 93.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.2 | -46.7 | 176.4 | -65 | 162.8 | 0 | 0 | 0 | 111.3 | I663 F685 L686 S691 D692 F693 L760 I763 F771 | I663-I689 HydrophobicContact CD1-CD1 4.17Å; I663-I689 HydrophobicContact CD1-CG2 3.81Å; F685-I689 HydrophobicContact CD1-CD1 3.67Å; F685-I689 HydrophobicContact CD1-CG1 4.23Å; F685-I689 HydrophobicContact CE1-CD1 3.65Å; F685-I689 HydrophobicContact CE1-CG1 4.04Å; F685-I689 PolarHBondContact O-N 3.04Å; F685-I689 VanDerWaalsContact O-N 3.16Å; L686-I689 PolarHBondContact O-N 2.93Å; I689-S691 VanDerWaalsContact C-N 3.33Å; I689-D692 PolarHBondContact O-N 3.11Å; I689-F693 HydrophobicContact CG2-CD2 3.99Å; I689-F693 HydrophobicContact CG2-CE1 4.17Å; I689-F693 HydrophobicContact CG2-CE2 3.39Å; I689-F693 HydrophobicContact CG2-CZ 3.49Å; I689-F693 VanDerWaalsContact CG2-CZ 3.49Å; I689-F693 WeakPolarHBondContact O-CD2 3.35Å; I689-F693 VanDerWaalsContact O-CG 3.24Å; I689-F693 WeakPolarHBondContact O-CG 3.5Å; I689-F693 PolarHBondContact O-N 3.32Å; I689-L760 HydrophobicContact CD1-CD1 4.11Å; I689-L760 HydrophobicContact CG1-CD1 4.13Å; I689-L760 HydrophobicContact CG2-CD1 3.94Å; I689-I763 HydrophobicContact CB-CD1 4.31Å; I689-I763 HydrophobicContact CG1-CD1 3.98Å; I689-I763 HydrophobicContact CG1-CG2 4.14Å; I689-I763 HydrophobicContact CG2-CD1 4.45Å; I689-F771 HydrophobicContact CD1-CD2 4.26Å |
| 690 | I | 94.9 | Very high | 91.9 | Very high | 3 Ų | 3 | 34.1 Ų | 34.1 | 2% | 0.015 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67.5 | -36.1 | 179.5 | -63.2 | -65.9 | 0 | 0 | 0 | 111.1 | L686 N687 E688 F693 D694 T710 Y715 | L686-I690 HydrophobicContact CD1-CG1 4.23Å; L686-I690 HydrophobicContact CG-CG1 4.3Å; L686-I690 VanDerWaalsContact O-CG1 3.26Å; L686-I690 WeakPolarHBondContact O-CG1 3.1Å; L686-I690 PolarHBondContact O-N 3.45Å; N687-I690 PolarHBondContact O-N 2.58Å; E688-I690 VanDerWaalsContact C-N 3.32Å; E688-I690 PolarHBondContact O-N 3.27Å; I690-F693 HydrophobicContact CD1-CD2 4.34Å; I690-F693 PolarHBondContact O-N 2.92Å; I690-D694 WeakPolarHBondContact O-CB 3.47Å; I690-D694 VanDerWaalsContact O-CG 3.23Å; I690-D694 PolarHBondContact O-N 3.37Å; I690-T710 HydrophobicContact CD1-CG2 4.14Å; I690-T710 HydrophobicContact CG2-CG2 4.06Å; I690-Y715 HydrophobicContact CD1-CD2 4.01Å |
| 691 | S | 93.3 | Very high | 92 | Very high | 5 Ų | 5 | 37.4 Ų | 37.4 | 4% | 0.035 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.6 | -40.3 | 177.4 | -61.4 | 0 | 0 | 0 | 0 | 111.5 | N687 E688 I689 F693 D694 S695 | N687-S691 VanDerWaalsContact O-CB 3.24Å; N687-S691 WeakPolarHBondContact O-CB 3.49Å; N687-S691 PolarHBondContact O-N 3.36Å; N687-S691 PolarHBondContact O-OG 3.32Å; E688-S691 PolarHBondContact O-N 2.96Å; E688-S691 VanDerWaalsContact O-N 3.12Å; I689-S691 VanDerWaalsContact C-N 3.33Å; S691-F693 VanDerWaalsContact C-N 3.32Å; S691-F693 PolarHBondContact O-N 3.25Å; S691-D694 WeakPolarHBondContact O-CB 3.07Å; S691-D694 PolarHBondContact O-N 3.47Å; S691-D694 VanDerWaalsContact O-N 3.15Å; S691-S695 PolarHBondContact O-N 3.34Å |
| 692 | D | 93.9 | Very high | 92.3 | Very high | 55 Ų | 55 | 34.6 Ų | 34.6 | 29% | 0.294 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -67.7 | -32 | 174.3 | -76.7 | -2 | 0 | 0 | 0 | 112.3 | E688 I689 S695 L696 T759 I763 | E688-D692 PolarHBondContact O-N 2.91Å; I689-D692 PolarHBondContact O-N 3.11Å; D692-S695 PolarHBondContact O-OG 3.34Å; D692-L696 PolarHBondContact O-N 2.99Å; D692-T759 HydrophobicContact CB-CG2 3.68Å; D692-I763 HydrophobicContact CB-CD1 4.03Å; D692-I763 VanDerWaalsContact OD2-CD1 3.25Å; D692-I763 WeakPolarHBondContact OD2-CD1 3.37Å; D692-I763 WeakPolarHBondContact OD2-CG1 3.08Å |
| 693 | F | 95.8 | Very high | 92.2 | Very high | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.009 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -71.2 | -36.3 | 169.8 | -63.5 | -20.3 | 0 | 0 | 0 | 112.2 | I689 I690 S691 S695 L696 Y715 M756 T759 L760 L773 | I689-F693 HydrophobicContact CG2-CD2 3.99Å; I689-F693 HydrophobicContact CG2-CE1 4.17Å; I689-F693 HydrophobicContact CG2-CE2 3.39Å; I689-F693 HydrophobicContact CG2-CZ 3.49Å; I689-F693 VanDerWaalsContact CG2-CZ 3.49Å; I689-F693 WeakPolarHBondContact O-CD2 3.35Å; I689-F693 VanDerWaalsContact O-CG 3.24Å; I689-F693 WeakPolarHBondContact O-CG 3.5Å; I689-F693 PolarHBondContact O-N 3.32Å; I690-F693 HydrophobicContact CD1-CD2 4.34Å; I690-F693 PolarHBondContact O-N 2.92Å; S691-F693 VanDerWaalsContact C-N 3.32Å; S691-F693 PolarHBondContact O-N 3.25Å; F693-S695 VanDerWaalsContact C-N 3.34Å; F693-L696 WeakPolarHBondContact O-CB 3.45Å; F693-L696 PolarHBondContact O-N 3.39Å; F693-Y715 HydrophobicContact CB-CD2 4.49Å; F693-Y715 HydrophobicContact CB-CE2 4.21Å; F693-Y715 HydrophobicContact CD2-CD2 4.46Å; F693-M756 HydrophobicContact CB-CE 4.29Å; F693-M756 HydrophobicContact CD1-CB 4.29Å; F693-M756 HydrophobicContact CD1-CE 4.08Å; F693-M756 HydrophobicContact CD1-CG 4.12Å; F693-M756 HydrophobicContact CD2-CE 3.39Å; F693-M756 HydrophobicContact CE1-CB 4.09Å; F693-M756 HydrophobicContact CE1-CE 4.22Å; F693-M756 HydrophobicContact CE1-CG 4.4Å; F693-M756 WeakPolarHBondContact CE1-O 3.42Å; F693-M756 HydrophobicContact CE2-CE 3.54Å; F693-M756 HydrophobicContact CG-CE 3.67Å; F693-M756 HydrophobicContact CG-CG 4.44Å; F693-M756 HydrophobicContact CZ-CE 3.96Å; F693-T759 HydrophobicContact CD1-CG2 4.18Å; F693-T759 HydrophobicContact CE1-CG2 4.26Å; F693-L760 HydrophobicContact CE1-CB 4.38Å; F693-L760 HydrophobicContact CZ-CB 4.25Å; F693-L760 HydrophobicContact CZ-CD1 4.49Å; F693-L773 HydrophobicContact CE2-CD2 4.32Å; F693-L773 HydrophobicContact CZ-CD1 4.14Å; F693-L773 HydrophobicContact CZ-CD2 4.16Å |
| 694 | D | 94.6 | Very high | 92 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.3 | -37.8 | 175.7 | -74.8 | -17 | 0 | 0 | 0 | 111.2 | Q182 K183 I690 S691 L696 L697 K707 Y715 | Q182-D694 HydrophobicContact CB-CB 4.43Å; Q182-D694 PolarHBondContact N-OD2 3.24Å; K183-D694 HydrophobicContact CB-CB 4.25Å; K183-D694 HydrophobicContact CD-CB 4.11Å; K183-D694 WeakPolarHBondContact CE-O 3.27Å; K183-D694 HydrophobicContact CG-CB 4.14Å; K183-D694 PolarHBondContact N-OD2 3.21Å; I690-D694 WeakPolarHBondContact O-CB 3.47Å; I690-D694 VanDerWaalsContact O-CG 3.23Å; I690-D694 PolarHBondContact O-N 3.37Å; S691-D694 WeakPolarHBondContact O-CB 3.07Å; S691-D694 PolarHBondContact O-N 3.47Å; S691-D694 VanDerWaalsContact O-N 3.15Å; D694-L696 VanDerWaalsContact C-N 3.27Å; D694-L696 PolarHBondContact O-N 3.07Å; D694-L697 WeakPolarHBondContact O-CB 3.39Å; D694-L697 PolarHBondContact O-N 2.88Å; D694-K707 VanDerWaalsContact CG-NZ 3.27Å; D694-K707 VanDerWaalsContact OD1-CD 3.29Å; D694-K707 WeakPolarHBondContact OD1-CD 3.34Å; D694-K707 WeakPolarHBondContact OD1-CE 3.35Å; D694-K707 IonicContact OD1-NZ 3.95Å; D694-K707 PolarHBondContact OD1-NZ 3.21Å; D694-K707 IonicContact OD2-NZ 2.87Å; D694-K707 PolarHBondContact OD2-NZ 3.48Å; D694-Y715 PolarHBondContact OD1-OH 3.4Å |
| 695 | S | 93.9 | Very high | 92.1 | Very high | 61 Ų | 61 | 44.2 Ų | 44.2 | 43% | 0.427 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -66.8 | -27.4 | 178.1 | 64.7 | 0 | 0 | 0 | 0 | 113.1 | S691 D692 F693 L697 D698 | S691-S695 PolarHBondContact O-N 3.34Å; D692-S695 PolarHBondContact O-OG 3.34Å; F693-S695 VanDerWaalsContact C-N 3.34Å; S695-L697 PolarHBondContact O-N 3.01Å; S695-D698 WeakPolarHBondContact O-CB 3.41Å; S695-D698 PolarHBondContact O-N 3.31Å; S695-D698 VanDerWaalsContact O-N 3.14Å |
| 696 | L | 95.1 | Very high | 92.1 | Very high | 14 Ų | 14 | 43 Ų | 43 | 7% | 0.073 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.2 | -34.8 | 171.5 | -67.6 | 175.9 | 0 | 0 | 0 | 110.9 | D692 F693 D694 D698 E699 F702 F752 A755 M756 | D692-L696 PolarHBondContact O-N 2.99Å; F693-L696 WeakPolarHBondContact O-CB 3.45Å; F693-L696 PolarHBondContact O-N 3.39Å; D694-L696 VanDerWaalsContact C-N 3.27Å; D694-L696 PolarHBondContact O-N 3.07Å; L696-D698 PolarHBondContact O-N 2.69Å; L696-E699 VanDerWaalsContact CD2-OE1 3.26Å; L696-E699 WeakPolarHBondContact CD2-OE1 3.35Å; L696-E699 WeakPolarHBondContact O-CB 3.47Å; L696-E699 PolarHBondContact O-N 3.44Å; L696-F702 HydrophobicContact CB-CD2 4.47Å; L696-F702 VanDerWaalsContact O-CD2 3.3Å; L696-F702 WeakPolarHBondContact O-CD2 3.45Å; L696-F752 HydrophobicContact CB-CD2 4.21Å; L696-F752 HydrophobicContact CB-CE2 3.59Å; L696-F752 HydrophobicContact CD1-CE2 4.17Å; L696-A755 HydrophobicContact CD1-CB 4.14Å; L696-A755 HydrophobicContact CD2-CB 4.38Å; L696-M756 HydrophobicContact CD1-CG 3.95Å |
| 697 | L | 92.5 | Very high | 92.1 | Very high | 23 Ų | 23 | 43.2 Ų | 43.2 | 12% | 0.12 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -13.7 | 179.2 | -63.5 | 177.8 | 0 | 0 | 0 | 113.8 | K183 D694 S695 E699 I705 K707 Y715 F752 | K183-L697 HydrophobicContact CD-CB 4.12Å; K183-L697 HydrophobicContact CD-CD1 4.12Å; D694-L697 WeakPolarHBondContact O-CB 3.39Å; D694-L697 PolarHBondContact O-N 2.88Å; S695-L697 PolarHBondContact O-N 3.01Å; L697-E699 VanDerWaalsContact C-N 3.3Å; L697-I705 HydrophobicContact CD2-CB 3.86Å; L697-I705 HydrophobicContact CD2-CG2 3.67Å; L697-K707 HydrophobicContact CD1-CB 3.81Å; L697-Y715 WeakPolarHBondContact CD1-OH 3.49Å; L697-F752 HydrophobicContact CD2-CD2 4.31Å; L697-F752 HydrophobicContact CD2-CE1 4.48Å; L697-F752 HydrophobicContact CD2-CE2 3.57Å; L697-F752 HydrophobicContact CD2-CZ 3.69Å; L697-F752 HydrophobicContact CG-CE2 4.09Å; L697-F752 HydrophobicContact CG-CZ 4.14Å |
| 698 | D | 90.4 | Very high | 92.1 | Very high | 111 Ų | 111 | 43.3 Ų | 43.3 | 59% | 0.594 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -13.3 | 173 | -67.2 | -49.6 | 0 | 0 | 0 | 112.6 | K183 S695 L696 | K183-D698 VanDerWaalsContact CE-OD1 3.28Å; K183-D698 WeakPolarHBondContact CE-OD1 3.45Å; K183-D698 VanDerWaalsContact CE-OD2 3.31Å; K183-D698 WeakPolarHBondContact CE-OD2 3.44Å; K183-D698 IonicContact NZ-OD1 3.57Å; K183-D698 PolarHBondContact NZ-OD1 3.37Å; K183-D698 IonicContact NZ-OD2 3.26Å; S695-D698 WeakPolarHBondContact O-CB 3.41Å; S695-D698 PolarHBondContact O-N 3.31Å; S695-D698 VanDerWaalsContact O-N 3.14Å; L696-D698 PolarHBondContact O-N 2.69Å |
| 699 | E | 91.8 | Very high | 91.9 | Very high | 68 Ų | 68 | 42.2 Ų | 42.2 | 32% | 0.318 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -69.4 | 134.7 | 175.9 | -63.2 | -170.1 | -114.1 | 0 | 0 | 111.1 | L696 L697 K701 F702 | L696-E699 VanDerWaalsContact CD2-OE1 3.26Å; L696-E699 WeakPolarHBondContact CD2-OE1 3.35Å; L696-E699 WeakPolarHBondContact O-CB 3.47Å; L696-E699 PolarHBondContact O-N 3.44Å; L697-E699 VanDerWaalsContact C-N 3.3Å; E699-K701 HydrophobicContact CB-CG 4.14Å; E699-K701 PolarHBondContact O-N 3.36Å; E699-K701 VanDerWaalsContact O-N 3.1Å; E699-K701 IonicContact OE1-NZ 3.12Å; E699-K701 WeakPolarHBondContact OE2-CE 3.32Å; E699-K701 IonicContact OE2-NZ 3.06Å; E699-K701 PolarHBondContact OE2-NZ 3.01Å; E699-F702 HydrophobicContact CB-CD2 4.02Å; E699-F702 PolarHBondContact O-N 2.95Å |
| 700 | P | 88.9 | Confident | 91.8 | Very high | 119 Ų | 119 | 42.9 Ų | 42.9 | 77% | 0.773 | 21% | 0.214 | S | C | * | . | G | 310 helix | trans | -61.8 | -27.7 | -173.1 | 23.1 | -33.8 | 0 | 0 | 0 | 113.9 | F702 R703 | P700-F702 PolarHBondContact O-N 3.03Å; P700-R703 WeakPolarHBondContact O-CB 3.42Å; P700-R703 PolarHBondContact O-N 2.93Å |
| 701 | K | 89.1 | Confident | 91.5 | Very high | 104 Ų | 104 | 45.3 Ų | 45.3 | 45% | 0.452 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -66.7 | -22.2 | 174.6 | 58.5 | 172 | 167.5 | -179.2 | 0 | 113.6 | E699 | E699-K701 HydrophobicContact CB-CG 4.14Å; E699-K701 PolarHBondContact O-N 3.36Å; E699-K701 VanDerWaalsContact O-N 3.1Å; E699-K701 IonicContact OE1-NZ 3.12Å; E699-K701 WeakPolarHBondContact OE2-CE 3.32Å; E699-K701 IonicContact OE2-NZ 3.06Å; E699-K701 PolarHBondContact OE2-NZ 3.01Å |
| 702 | F | 92.1 | Very high | 91.2 | Very high | 3 Ų | 3 | 46.6 Ų | 46.6 | 1% | 0.013 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -105.5 | 14 | -177.3 | -60.6 | -42.4 | 0 | 0 | 0 | 112.6 | L696 E699 P700 Y704 I705 D751 F752 A755 | L696-F702 HydrophobicContact CB-CD2 4.47Å; L696-F702 VanDerWaalsContact O-CD2 3.3Å; L696-F702 WeakPolarHBondContact O-CD2 3.45Å; E699-F702 HydrophobicContact CB-CD2 4.02Å; E699-F702 PolarHBondContact O-N 2.95Å; P700-F702 PolarHBondContact O-N 3.03Å; F702-Y704 PolarHBondContact O-N 2.54Å; F702-Y704 VanDerWaalsContact O-N 3.1Å; F702-I705 HydrophobicContact CB-CD1 3.97Å; F702-I705 HydrophobicContact CB-CG1 4.41Å; F702-I705 HydrophobicContact CD1-CD1 3.6Å; F702-I705 HydrophobicContact CE1-CD1 4.44Å; F702-I705 HydrophobicContact CG-CD1 4.06Å; F702-I705 WeakPolarHBondContact O-CB 3.44Å; F702-I705 PolarHBondContact O-N 3.1Å; F702-D751 HydrophobicContact CE1-CB 4.1Å; F702-F752 HydrophobicContact CB-CD2 4.4Å; F702-F752 HydrophobicContact CD1-CB 3.88Å; F702-F752 HydrophobicContact CD1-CD2 4.15Å; F702-F752 HydrophobicContact CD1-CG 4.49Å; F702-F752 AromaticContact CD2-CD2 3.78Å; F702-F752 HydrophobicContact CD2-CD2 3.78Å; F702-F752 HydrophobicContact CD2-CE2 4.48Å; F702-F752 HydrophobicContact CE1-CB 3.68Å; F702-F752 HydrophobicContact CE1-CD2 4.35Å; F702-F752 AromaticContact CE2-CD2 3.95Å; F702-F752 HydrophobicContact CE2-CD2 3.95Å; F702-F752 HydrophobicContact CG-CB 4.45Å; F702-F752 AromaticContact CG-CD2 3.87Å; F702-F752 HydrophobicContact CG-CD2 3.87Å; F702-F752 HydrophobicContact CZ-CB 4.07Å; F702-F752 HydrophobicContact CZ-CD2 4.25Å; F702-A755 HydrophobicContact CE2-CB 4.14Å; F702-A755 HydrophobicContact CZ-CB 4Å |
| 703 | R | 86.4 | Confident | 91 | Very high | 176 Ų | 176 | 45.2 Ų | 45.2 | 66% | 0.664 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -31.2 | -178.9 | -178.4 | 176.2 | 176.6 | -170.8 | -5.6 | 114.2 | P700 I705 | P700-R703 WeakPolarHBondContact O-CB 3.42Å; P700-R703 PolarHBondContact O-N 2.93Å; R703-I705 VanDerWaalsContact C-N 3.33Å |
| 704 | Y | 86.6 | Confident | 91 | Very high | 98 Ų | 98 | 46.4 Ų | 46.4 | 38% | 0.384 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 2.6 | -179.8 | -62.5 | -70.4 | 0 | 0 | 0 | 113.9 | F702 S719 T722 | F702-Y704 PolarHBondContact O-N 2.54Å; F702-Y704 VanDerWaalsContact O-N 3.1Å; Y704-S719 WeakPolarHBondContact O-CA 3.44Å; Y704-T722 HydrophobicContact CD1-CG2 3.95Å |
| 705 | I | 92.1 | Very high | 91 | Very high | 10 Ų | 10 | 46.5 Ų | 46.5 | 5% | 0.051 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 124.8 | 177.3 | -54.7 | -179 | 0 | 0 | 0 | 108.7 | L697 F702 R703 A717 L749 F752 | L697-I705 HydrophobicContact CD2-CB 3.86Å; L697-I705 HydrophobicContact CD2-CG2 3.67Å; F702-I705 HydrophobicContact CB-CD1 3.97Å; F702-I705 HydrophobicContact CB-CG1 4.41Å; F702-I705 HydrophobicContact CD1-CD1 3.6Å; F702-I705 HydrophobicContact CE1-CD1 4.44Å; F702-I705 HydrophobicContact CG-CD1 4.06Å; F702-I705 WeakPolarHBondContact O-CB 3.44Å; F702-I705 PolarHBondContact O-N 3.1Å; R703-I705 VanDerWaalsContact C-N 3.33Å; I705-A717 HydrophobicContact CG2-CB 4.11Å; I705-L749 HydrophobicContact CD1-CD1 4.36Å; I705-L749 HydrophobicContact CG2-CD1 4.05Å; I705-F752 HydrophobicContact CD1-CB 3.29Å; I705-F752 HydrophobicContact CD1-CD1 4.2Å; I705-F752 HydrophobicContact CD1-CD2 4.01Å; I705-F752 HydrophobicContact CD1-CG 3.6Å; I705-F752 HydrophobicContact CG2-CD1 4.3Å; I705-F752 HydrophobicContact CG2-CE1 4.43Å |
| 706 | T | 91.4 | Very high | 91.1 | Very high | 20 Ų | 20 | 43.8 Ų | 43.8 | 12% | 0.123 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 121.1 | 178.3 | -61.8 | 0 | 0 | 0 | 0 | 109.6 | I708 A717 A718 | T706-I708 HydrophobicContact CG2-CD1 4.43Å; T706-I708 PolarHBondContact O-N 3.16Å; T706-A717 WeakPolarHBondContact O-CA 3.46Å; T706-A718 PolarHBondContact N-O 3.4Å; T706-A718 PolarHBondContact O-N 2.78Å |
| 707 | K | 93.3 | Very high | 91.1 | Very high | 5 Ų | 5 | 43.1 Ų | 43.1 | 2% | 0.022 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 125.4 | 163.3 | -178.7 | -179.4 | -176 | 178.7 | 0 | 109.1 | K183 R184 D694 L697 Y715 | K183-K707 HydrophobicContact CB-CD 4.38Å; K183-K707 WeakPolarHBondContact O-CE 3.43Å; K183-K707 PolarHBondContact O-NZ 3.06Å; R184-K707 HydrophobicContact CB-CD 3.99Å; R184-K707 HydrophobicContact CB-CG 4.31Å; R184-K707 HydrophobicContact CG-CB 4.03Å; R184-K707 HydrophobicContact CG-CD 4.05Å; R184-K707 HydrophobicContact CG-CG 4.06Å; R184-K707 PolarHBondContact NE-O 3.09Å; D694-K707 VanDerWaalsContact CG-NZ 3.27Å; D694-K707 VanDerWaalsContact OD1-CD 3.29Å; D694-K707 WeakPolarHBondContact OD1-CD 3.34Å; D694-K707 WeakPolarHBondContact OD1-CE 3.35Å; D694-K707 IonicContact OD1-NZ 3.95Å; D694-K707 PolarHBondContact OD1-NZ 3.21Å; D694-K707 IonicContact OD2-NZ 2.87Å; D694-K707 PolarHBondContact OD2-NZ 3.48Å; L697-K707 HydrophobicContact CD1-CB 3.81Å; K707-Y715 HydrophobicContact CD-CE2 3.76Å; K707-Y715 WeakPolarHBondContact CD-OH 3.42Å; K707-Y715 HydrophobicContact CG-CE1 4.41Å; K707-Y715 HydrophobicContact CG-CE2 4.08Å |
| 708 | I | 91 | Very high | 91.2 | Very high | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.015 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | -59.3 | 175.6 | -55.8 | -60.3 | 0 | 0 | 0 | 109 | T706 M716 A718 Y794 I796 | T706-I708 HydrophobicContact CG2-CD1 4.43Å; T706-I708 PolarHBondContact O-N 3.16Å; I708-M716 HydrophobicContact CB-CB 4.47Å; I708-M716 HydrophobicContact CB-CE 4.29Å; I708-M716 HydrophobicContact CB-CG 4.04Å; I708-M716 HydrophobicContact CB-SD 4.09Å; I708-M716 HydrophobicContact CG1-CE 4.31Å; I708-M716 HydrophobicContact CG1-CG 4.38Å; I708-M716 HydrophobicContact CG2-CE 4.04Å; I708-M716 HydrophobicContact CG2-SD 3.95Å; I708-M716 PolarHBondContact N-O 3.1Å; I708-A718 HydrophobicContact CD1-CB 4.05Å; I708-A718 HydrophobicContact CG1-CB 4.07Å; I708-Y794 HydrophobicContact CD1-CE1 4Å; I708-I796 HydrophobicContact CD1-CD1 4.26Å; I708-I796 HydrophobicContact CD1-CG1 4.48Å; I708-I796 HydrophobicContact CD1-CG2 4.36Å; I708-I796 HydrophobicContact CG1-CD1 4.15Å; I708-I796 HydrophobicContact CG1-CG1 4.42Å |
| 709 | K | 89.8 | Confident | 91.4 | Very high | 6 Ų | 6 | 36.7 Ų | 36.7 | 3% | 0.026 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.7 | 165.4 | 179.8 | 56.9 | -174.8 | 137.7 | -168 | 0 | 111.9 | I711 M716 D795 | K709-I711 HydrophobicContact CD-CD1 4.05Å; K709-I711 HydrophobicContact CD-CG1 4.07Å; K709-I711 HydrophobicContact CG-CD1 4.23Å; K709-I711 HydrophobicContact CG-CG1 4.09Å; K709-M716 HydrophobicContact CG-CB 4.3Å; K709-M716 HydrophobicContact CG-SD 4.03Å; K709-M716 PolarHBondContact N-O 2.94Å; K709-M716 WeakPolarHBondContact O-CB 3.5Å; K709-M716 PolarHBondContact O-N 3.43Å; K709-D795 WeakPolarHBondContact CE-OD1 3.37Å; K709-D795 IonicContact NZ-OD1 3.49Å; K709-D795 PolarHBondContact NZ-OD1 3.28Å; K709-D795 IonicContact NZ-OD2 2.86Å; K709-D795 PolarHBondContact NZ-OD2 3.08Å |
| 710 | T | 90.6 | Very high | 91.2 | Very high | 14 Ų | 14 | 34.3 Ų | 34.3 | 9% | 0.086 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 147.4 | 161.3 | 50.3 | 0 | 0 | 0 | 0 | 109.2 | K119 I690 T714 Y715 | K119-T710 PolarHBondContact NZ-O 3.39Å; I690-T710 HydrophobicContact CD1-CG2 4.14Å; I690-T710 HydrophobicContact CG2-CG2 4.06Å; T710-T714 CarbonylContact C-O 3.52Å; T710-T714 VanDerWaalsContact CA-O 3.3Å; T710-T714 WeakPolarHBondContact CA-O 3.49Å; T710-Y715 HydrophobicContact CG2-CD2 4.05Å |
| 711 | I | 87.9 | Confident | 90.7 | Very high | 54 Ų | 54 | 28.7 Ų | 28.7 | 28% | 0.277 | 14% | 0.143 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 100.6 | 176.9 | -54.5 | 167 | 0 | 0 | 0 | 106.7 | L121 K709 S713 T714 | L121-I711 HydrophobicContact CD2-CD1 3.98Å; L121-I711 HydrophobicContact CD2-CG1 4.04Å; L121-I711 HydrophobicContact CD2-CG2 4.31Å; K709-I711 HydrophobicContact CD-CD1 4.05Å; K709-I711 HydrophobicContact CD-CG1 4.07Å; K709-I711 HydrophobicContact CG-CD1 4.23Å; K709-I711 HydrophobicContact CG-CG1 4.09Å; I711-S713 PolarHBondContact O-N 3.22Å; I711-T714 PolarHBondContact N-O 2.92Å; I711-T714 WeakPolarHBondContact O-CA 3.49Å; I711-T714 VanDerWaalsContact O-CB 3.28Å; I711-T714 WeakPolarHBondContact O-CB 3.45Å; I711-T714 PolarHBondContact O-N 3.28Å |
| 712 | G | 87.3 | Confident | 89.7 | Confident | 32 Ų | 32 | 26.3 Ų | 26.3 | 33% | 0.33 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | -123.3 | -169.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | T714 | G712-T714 VanDerWaalsContact C-N 3.3Å; G712-T714 PolarHBondContact O-N 2.95Å |
| 713 | S | 91.3 | Very high | 87.9 | Confident | 27 Ų | 27 | 28.1 Ų | 28.1 | 19% | 0.189 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 13.4 | 174.7 | 66 | 0 | 0 | 0 | 0 | 114.4 | I663 I711 | I663-S713 PolarHBondContact N-O 3.1Å; I663-S713 PolarHBondContact O-OG 3.48Å; I711-S713 PolarHBondContact O-N 3.22Å |
| 714 | T | 93.9 | Very high | 86.2 | Confident | 27 Ų | 27 | 25.2 Ų | 25.2 | 17% | 0.166 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 127.5 | -179.2 | -51.9 | 0 | 0 | 0 | 0 | 111.4 | F660 A661 S662 T710 I711 G712 | F660-T714 HydrophobicContact CB-CG2 4.5Å; F660-T714 HydrophobicContact CD1-CG2 4.01Å; A661-T714 CarbonylContact O-C 3.54Å; A661-T714 WeakPolarHBondContact O-CA 3.26Å; S662-T714 WeakPolarHBondContact CB-OG1 3.44Å; T710-T714 CarbonylContact C-O 3.52Å; T710-T714 VanDerWaalsContact CA-O 3.3Å; T710-T714 WeakPolarHBondContact CA-O 3.49Å; I711-T714 PolarHBondContact N-O 2.92Å; I711-T714 WeakPolarHBondContact O-CA 3.49Å; I711-T714 VanDerWaalsContact O-CB 3.28Å; I711-T714 WeakPolarHBondContact O-CB 3.45Å; I711-T714 PolarHBondContact O-N 3.28Å; G712-T714 VanDerWaalsContact C-N 3.3Å; G712-T714 PolarHBondContact O-N 2.95Å |
| 715 | Y | 95.9 | Very high | 84.4 | Confident | 1 Ų | 1 | 25.9 Ų | 25.9 | 0% | 0.004 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 122 | 175.3 | -167.9 | -86.5 | 0 | 0 | 0 | 110 | A661 I690 F693 D694 L697 K707 T710 A717 F752 M756 | A661-Y715 PolarHBondContact N-O 2.68Å; A661-Y715 PolarHBondContact O-N 3.07Å; I690-Y715 HydrophobicContact CD1-CD2 4.01Å; F693-Y715 HydrophobicContact CB-CD2 4.49Å; F693-Y715 HydrophobicContact CB-CE2 4.21Å; F693-Y715 HydrophobicContact CD2-CD2 4.46Å; D694-Y715 PolarHBondContact OD1-OH 3.4Å; L697-Y715 WeakPolarHBondContact CD1-OH 3.49Å; K707-Y715 HydrophobicContact CD-CE2 3.76Å; K707-Y715 WeakPolarHBondContact CD-OH 3.42Å; K707-Y715 HydrophobicContact CG-CE1 4.41Å; K707-Y715 HydrophobicContact CG-CE2 4.08Å; T710-Y715 HydrophobicContact CG2-CD2 4.05Å; Y715-A717 HydrophobicContact CD1-CB 4.35Å; Y715-A717 HydrophobicContact CE1-CB 3.98Å; Y715-F752 HydrophobicContact CE1-CE1 4.07Å; Y715-F752 HydrophobicContact CE1-CZ 4.19Å; Y715-M756 HydrophobicContact CD1-CE 4.1Å; Y715-M756 HydrophobicContact CG-CE 4.2Å |
| 716 | M | 95.3 | Very high | 81.9 | Confident | 4 Ų | 4 | 30.8 Ų | 30.8 | 2% | 0.02 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 124.8 | 179.2 | -176 | -175.3 | 173.3 | 0 | 0 | 110.3 | M659 F660 I708 K709 I796 V801 | M659-M716 WeakPolarHBondContact O-CA 3.41Å; F660-M716 HydrophobicContact CD1-CB 4.47Å; F660-M716 HydrophobicContact CD1-CG 4.41Å; F660-M716 HydrophobicContact CE1-CB 4.3Å; F660-M716 HydrophobicContact CE1-CG 3.97Å; F660-M716 HydrophobicContact CE1-SD 3.9Å; F660-M716 HydrophobicContact CE2-CE 4.31Å; F660-M716 HydrophobicContact CE2-CG 4.36Å; F660-M716 HydrophobicContact CZ-CE 3.87Å; F660-M716 HydrophobicContact CZ-CG 3.94Å; F660-M716 HydrophobicContact CZ-SD 3.69Å; I708-M716 HydrophobicContact CB-CB 4.47Å; I708-M716 HydrophobicContact CB-CE 4.29Å; I708-M716 HydrophobicContact CB-CG 4.04Å; I708-M716 HydrophobicContact CB-SD 4.09Å; I708-M716 HydrophobicContact CG1-CE 4.31Å; I708-M716 HydrophobicContact CG1-CG 4.38Å; I708-M716 HydrophobicContact CG2-CE 4.04Å; I708-M716 HydrophobicContact CG2-SD 3.95Å; I708-M716 PolarHBondContact N-O 3.1Å; K709-M716 HydrophobicContact CG-CB 4.3Å; K709-M716 HydrophobicContact CG-SD 4.03Å; K709-M716 PolarHBondContact N-O 2.94Å; K709-M716 WeakPolarHBondContact O-CB 3.5Å; K709-M716 PolarHBondContact O-N 3.43Å; M716-I796 HydrophobicContact CE-CD1 3.77Å; M716-I796 HydrophobicContact CE-CG1 3.53Å; M716-V801 HydrophobicContact CE-CG1 3.82Å |
| 717 | A | 95.4 | Very high | 79.5 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 154.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | M659 I705 T706 Y715 | M659-A717 HydrophobicContact CE-CB 4.1Å; M659-A717 PolarHBondContact N-O 3.41Å; M659-A717 PolarHBondContact O-N 2.78Å; M659-A717 VanDerWaalsContact O-N 3.07Å; I705-A717 HydrophobicContact CG2-CB 4.11Å; T706-A717 WeakPolarHBondContact O-CA 3.46Å; Y715-A717 HydrophobicContact CD1-CB 4.35Å; Y715-A717 HydrophobicContact CE1-CB 3.98Å |
| 718 | A | 94.9 | Very high | 76.9 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 150.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | I656 G657 T706 I708 V721 I796 | I656-A718 HydrophobicContact CG2-CB 4.17Å; G657-A718 CarbonylContact O-C 3.59Å; G657-A718 WeakPolarHBondContact O-CA 3.48Å; G657-A718 WeakPolarHBondContact O-CB 3.5Å; T706-A718 PolarHBondContact N-O 3.4Å; T706-A718 PolarHBondContact O-N 2.78Å; I708-A718 HydrophobicContact CD1-CB 4.05Å; I708-A718 HydrophobicContact CG1-CB 4.07Å; A718-V721 HydrophobicContact CB-CG2 3.57Å; A718-I796 HydrophobicContact CB-CD1 3.83Å |
| 719 | S | 94 | Very high | 74.2 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 150.5 | 174.7 | 71.7 | 0 | 0 | 0 | 0 | 111 | I656 G657 Y704 H745 | I656-S719 WeakPolarHBondContact CA-O 3.37Å; I656-S719 WeakPolarHBondContact CG2-O 3.45Å; G657-S719 PolarHBondContact N-O 3.25Å; G657-S719 VanDerWaalsContact N-O 3.1Å; G657-S719 PolarHBondContact O-N 3.23Å; Y704-S719 WeakPolarHBondContact O-CA 3.44Å; S719-H745 WeakPolarHBondContact CB-O 3.4Å; S719-H745 PolarHBondContact O-ND1 3.17Å; S719-H745 PolarHBondContact OG-ND1 3.22Å; S719-H745 PolarHBondContact OG-O 3.33Å |
| 720 | G | 87.4 | Confident | 71.8 | Confident | 17 Ų | 17 | 55.5 Ų | 55.5 | 18% | 0.175 | 32% | 0.32 | C | S | . | . | S | Bend | trans | 83.6 | 13.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | T722 | G720-T722 VanDerWaalsContact C-N 3.26Å; G720-T722 PolarHBondContact O-N 2.91Å |
| 721 | V | 79.9 | Confident | 69.3 | Low | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.006 | 36% | 0.356 | C | S | . | . | trans | -92.2 | 21.7 | 179.7 | -149.6 | 0 | 0 | 0 | 0 | 112.8 | H633 Y653 I656 A718 Y794 | H633-V721 PolarHBondContact CE1-O 3.06Å; Y653-V721 HydrophobicContact CE1-CG1 4.48Å; Y653-V721 HydrophobicContact CE2-CG1 4.09Å; I656-V721 HydrophobicContact CD1-CB 4.28Å; I656-V721 HydrophobicContact CD1-CG1 4.16Å; I656-V721 HydrophobicContact CD1-CG2 3.81Å; I656-V721 HydrophobicContact CG1-CG2 4.44Å; I656-V721 HydrophobicContact CG2-CG2 4.45Å; A718-V721 HydrophobicContact CB-CG2 3.57Å; V721-Y794 WeakPolarHBondContact CG1-OH 3.28Å | ||
| 722 | T | 67.4 | Low | 67.2 | Low | 55 Ų | 55 | 66.8 Ų | 66.8 | 34% | 0.337 | 36% | 0.364 | S | S | . | . | trans | -84.6 | 148.7 | -177.3 | 32.8 | 0 | 0 | 0 | 0 | 112.2 | Y704 G720 | Y704-T722 HydrophobicContact CD1-CG2 3.95Å; G720-T722 VanDerWaalsContact C-N 3.26Å; G720-T722 PolarHBondContact O-N 2.91Å | ||
| 723 | S | 54.4 | Low | 65.3 | Low | 40 Ų | 40 | 71.8 Ų | 71.8 | 28% | 0.28 | 38% | 0.376 | S | S | . | . | trans | -80.1 | 122.7 | 179.3 | -176.2 | 0 | 0 | 0 | 0 | 109.3 | V725 | S723-V725 PolarHBondContact O-N 3.08Å; S723-V725 VanDerWaalsContact OG-CG2 3.26Å; S723-V725 WeakPolarHBondContact OG-CG2 3.14Å | ||
| 724 | D | 51.3 | Low | 63.6 | Low | 116 Ų | 116 | 76.3 Ų | 76.3 | 62% | 0.62 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | 9.5 | 174.7 | -67.4 | -34.5 | 0 | 0 | 0 | 114.5 | ||
| 725 | V | 48 | Very low | 61.7 | Low | 111 Ų | 111 | 83.2 Ų | 83.2 | 67% | 0.673 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.5 | -11.2 | -159.7 | -173.8 | 0 | 0 | 0 | 0 | 113.9 | S723 | S723-V725 PolarHBondContact O-N 3.08Å; S723-V725 VanDerWaalsContact OG-CG2 3.26Å; S723-V725 WeakPolarHBondContact OG-CG2 3.14Å |
| 726 | N | 40.5 | Very low | 59.8 | Low | 113 Ų | 113 | 89.6 Ų | 89.6 | 60% | 0.604 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -119.7 | -1.4 | -170.8 | -111.5 | 23.2 | 0 | 0 | 0 | 118.6 | G728 | N726-G728 PolarHBondContact O-N 3.37Š|
| 727 | D | 40.3 | Very low | 58.4 | Low | 117 Ų | 117 | 93.1 Ų | 93.1 | 63% | 0.626 | 47% | 0.469 | S | S | * | . | trans | -93.4 | 90.6 | 163.8 | -84.5 | -13.2 | 0 | 0 | 0 | 108.8 | Y729 | D727-Y729 PolarHBondContact O-N 3.33Š| ||
| 728 | G | 38.3 | Very low | 57.4 | Low | 72 Ų | 72 | 95.8 Ų | 95.8 | 74% | 0.742 | 49% | 0.488 | S | S | * | . | trans | -62.9 | 18.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115 | N726 | N726-G728 PolarHBondContact O-N 3.37Š| ||
| 729 | Y | 35.5 | Very low | 56.5 | Low | 213 Ų | 213 | 100.6 Ų | 100.6 | 84% | 0.835 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -143.7 | 122.9 | 173.2 | -77.9 | -85.8 | 0 | 0 | 0 | 109 | D727 | D727-Y729 PolarHBondContact O-N 3.33Š|
| 730 | M | 37.8 | Very low | 55.7 | Low | 152 Ų | 152 | 107 Ų | 107 | 75% | 0.749 | 54% | 0.538 | S | S | * | . | trans | 81.9 | 70.4 | 179.6 | -63.7 | -108.3 | 94 | 0 | 0 | 117 | M732 | M730-M732 HydrophobicContact CE-CG 3.92Å; M730-M732 PolarHBondContact O-N 3.49Å; M730-M732 HydrophobicContact SD-CG 3.86Å; M730-M732 HydrophobicContact SD-SD 4.23Å | ||
| 731 | Y | 39.1 | Very low | 55.4 | Low | 217 Ų | 217 | 112.1 Ų | 112.1 | 85% | 0.851 | 56% | 0.557 | S | S | * | * | trans | -70.1 | 72.4 | 146.8 | -125.7 | -89.3 | 0 | 0 | 0 | 108.6 | ||||
| 732 | M | 43.9 | Very low | 55.6 | Low | 87 Ų | 87 | 115.5 Ų | 115.5 | 43% | 0.429 | 57% | 0.57 | S | S | . | * | trans | -76.4 | 129.3 | 161.5 | -80.2 | -156.5 | 112.5 | 0 | 0 | 107.7 | M730 K734 E736 | M730-M732 HydrophobicContact CE-CG 3.92Å; M730-M732 PolarHBondContact O-N 3.49Å; M730-M732 HydrophobicContact SD-CG 3.86Å; M730-M732 HydrophobicContact SD-SD 4.23Å; M732-K734 PolarHBondContact O-N 2.88Å; M732-E736 WeakPolarHBondContact CE-OE2 3.43Å | ||
| 733 | K | 47.7 | Very low | 56.7 | Low | 137 Ų | 137 | 113.8 Ų | 113.8 | 60% | 0.596 | 56% | 0.557 | S | S | * | * | trans | -58.6 | 135.9 | 175.8 | -74.8 | 178.5 | 174.8 | -179.1 | 0 | 108.8 | E735 E736 | K733-E735 PolarHBondContact O-N 3.45Å; K733-E736 PolarHBondContact O-N 2.98Å | ||
| 734 | K | 54 | Low | 58.4 | Low | 123 Ų | 123 | 115.5 Ų | 115.5 | 54% | 0.535 | 56% | 0.561 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -47.4 | -22.1 | 174.2 | -93.3 | -178 | 173 | 178.5 | 0 | 114.3 | M732 | M732-K734 PolarHBondContact O-N 2.88Š|
| 735 | E | 54.7 | Low | 60.4 | Low | 172 Ų | 172 | 111.1 Ų | 111.1 | 80% | 0.804 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -13.4 | -178.1 | -65.1 | 170.6 | 168.8 | 0 | 0 | 114.2 | K733 | K733-E735 PolarHBondContact O-N 3.45Š|
| 736 | E | 55.9 | Low | 62.6 | Low | 134 Ų | 134 | 105.9 Ų | 105.9 | 63% | 0.626 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -104.9 | -7.6 | -177.8 | -68.2 | 177.6 | -178.5 | 0 | 0 | 114 | M732 K733 | M732-E736 WeakPolarHBondContact CE-OE2 3.43Å; K733-E736 PolarHBondContact O-N 2.98Å |
| 737 | Q | 65.1 | Low | 65.2 | Low | 78 Ų | 78 | 100.5 Ų | 100.5 | 36% | 0.364 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -84.2 | 139.5 | 179.8 | -74.1 | 175.4 | -1.2 | 0 | 0 | 111.7 | R742 | Q737-R742 HydrophobicContact CB-CG 3.85Š|
| 738 | S | 75.8 | Confident | 67.7 | Low | 56 Ų | 56 | 96 Ų | 96 | 39% | 0.392 | 45% | 0.452 | S | S | . | . | trans | -66.5 | 149.1 | 172.2 | 67 | 0 | 0 | 0 | 0 | 110.8 | R740 E741 R742 | S738-R740 PolarHBondContact O-N 2.87Å; S738-E741 PolarHBondContact N-OE2 3.28Å; S738-E741 PolarHBondContact O-N 3.08Å; S738-E741 VanDerWaalsContact OG-CD 3.27Å; S738-E741 WeakPolarHBondContact OG-CG 3.13Å; S738-E741 PolarHBondContact OG-N 3.07Å; S738-E741 PolarHBondContact OG-OE2 3.43Å; S738-R742 PolarHBondContact O-N 2.87Å; S738-R742 VanDerWaalsContact O-N 3.09Å | ||
| 739 | D | 74.6 | Confident | 70.5 | Confident | 101 Ų | 101 | 92.6 Ų | 92.6 | 54% | 0.54 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -57.3 | -25.9 | 176.1 | -74.8 | -23.9 | 0 | 0 | 0 | 112.3 | R742 W743 | D739-R742 IonicContact OD1-CZ 3.06Å; D739-R742 IonicContact OD1-NH1 2.65Å; D739-R742 PolarHBondContact OD1-NH1 3.44Å; D739-W743 VanDerWaalsContact O-CD1 3.3Å; D739-W743 PolarHBondContact O-N 3.14Å; D739-W743 VanDerWaalsContact O-N 3.13Å |
| 740 | R | 78.5 | Confident | 73.4 | Confident | 136 Ų | 136 | 82.5 Ų | 82.5 | 51% | 0.513 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -74 | -24.5 | 174.4 | -169.2 | 176.1 | 173.7 | -167.6 | -2.8 | 114.2 | S738 Y829 | S738-R740 PolarHBondContact O-N 2.87Å; R740-Y829 VanDerWaalsContact C-OH 3.25Å; R740-Y829 VanDerWaalsContact CA-OH 3.31Å; R740-Y829 WeakPolarHBondContact CA-OH 3.33Å; R740-Y829 HydrophobicContact CG-CE1 3.85Å; R740-Y829 HydrophobicContact CG-CE2 4.45Å; R740-Y829 PolarHBondContact O-OH 3.06Å |
| 741 | E | 81.3 | Confident | 76.2 | Confident | 124 Ų | 124 | 77.1 Ų | 77.1 | 58% | 0.579 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -83.5 | -40 | 172.3 | -72.6 | 158.8 | 155.3 | 0 | 0 | 110.4 | S738 W743 Q744 | S738-E741 PolarHBondContact N-OE2 3.28Å; S738-E741 PolarHBondContact O-N 3.08Å; S738-E741 VanDerWaalsContact OG-CD 3.27Å; S738-E741 WeakPolarHBondContact OG-CG 3.13Å; S738-E741 PolarHBondContact OG-N 3.07Å; S738-E741 PolarHBondContact OG-OE2 3.43Å; E741-W743 PolarHBondContact O-N 3.16Å; E741-Q744 WeakPolarHBondContact O-CB 3.39Å; E741-Q744 PolarHBondContact O-N 3.13Å |
| 742 | R | 84 | Confident | 79 | Confident | 72 Ų | 72 | 66.8 Ų | 66.8 | 27% | 0.272 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.6 | -42.7 | 179.7 | -68.8 | 171 | 63.2 | -164.7 | 17.9 | 112.5 | E655 Q737 S738 D739 H745 | E655-R742 IonicContact OE1-CZ 3.83Å; E655-R742 IonicContact OE1-NE 3.23Å; E655-R742 PolarHBondContact OE1-NE 3.08Å; E655-R742 IonicContact OE1-NH1 3.66Å; E655-R742 IonicContact OE1-NH2 3.89Å; E655-R742 PolarHBondContact OE1-NH2 3.46Å; E655-R742 IonicContact OE2-CZ 2.78Å; E655-R742 VanDerWaalsContact OE2-CZ 3.32Å; E655-R742 IonicContact OE2-NE 3.22Å; E655-R742 PolarHBondContact OE2-NE 3.42Å; E655-R742 IonicContact OE2-NH2 3.78Å; E655-R742 PolarHBondContact OE2-NH2 3.09Å; Q737-R742 HydrophobicContact CB-CG 3.85Å; S738-R742 PolarHBondContact O-N 2.87Å; S738-R742 VanDerWaalsContact O-N 3.09Å; D739-R742 IonicContact OD1-CZ 3.06Å; D739-R742 IonicContact OD1-NH1 2.65Å; D739-R742 PolarHBondContact OD1-NH1 3.44Å; R742-H745 PolarHBondContact O-CD2 2.98Å; R742-H745 PolarHBondContact O-NE2 2.96Å; R742-H745 VanDerWaalsContact O-NE2 3.16Å |
| 743 | W | 90.3 | Very high | 81.5 | Confident | 18 Ų | 18 | 62.7 Ų | 62.7 | 7% | 0.068 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 14.6 | -177.5 | -68.4 | 97.7 | 0 | 0 | 0 | 114.3 | E655 D739 E741 H745 L746 A747 K779 I825 Y829 | E655-W743 HydrophobicContact CB-CH2 3.98Å; E655-W743 HydrophobicContact CB-CZ2 4.09Å; E655-W743 HydrophobicContact CB-CZ3 4.46Å; E655-W743 HydrophobicContact CG-CH2 4.39Å; E655-W743 HydrophobicContact CG-CZ2 4.08Å; D739-W743 VanDerWaalsContact O-CD1 3.3Å; D739-W743 PolarHBondContact O-N 3.14Å; D739-W743 VanDerWaalsContact O-N 3.13Å; E741-W743 PolarHBondContact O-N 3.16Å; W743-H745 AromaticContact CE3-CE1 3.88Å; W743-H745 AromaticContact CE3-NE2 3.9Å; W743-H745 AromaticContact CZ3-CE1 3.99Å; W743-H745 PolarHBondContact O-N 2.83Å; W743-L746 HydrophobicContact CE3-CB 3.91Å; W743-L746 HydrophobicContact CE3-CD2 3.82Å; W743-L746 HydrophobicContact CE3-CG 4.44Å; W743-L746 HydrophobicContact CZ3-CD2 4.36Å; W743-L746 WeakPolarHBondContact O-CB 3.47Å; W743-L746 PolarHBondContact O-N 3.39Å; W743-A747 PolarHBondContact O-N 3.27Å; W743-K779 HydrophobicContact CE3-CB 4.44Å; W743-K779 HydrophobicContact CE3-CD 4.24Å; W743-K779 HydrophobicContact CH2-CB 3.93Å; W743-K779 HydrophobicContact CH2-CD 3.92Å; W743-K779 HydrophobicContact CH2-CG 4.15Å; W743-K779 HydrophobicContact CZ2-CD 4.23Å; W743-K779 HydrophobicContact CZ3-CB 3.63Å; W743-K779 HydrophobicContact CZ3-CD 3.95Å; W743-K779 HydrophobicContact CZ3-CG 4.23Å; W743-I825 HydrophobicContact CB-CD1 4.41Å; W743-I825 HydrophobicContact CB-CG2 3.71Å; W743-I825 HydrophobicContact CD2-CD1 3.73Å; W743-I825 HydrophobicContact CE3-CD1 4.43Å; W743-I825 HydrophobicContact CG-CD1 3.7Å; W743-I825 HydrophobicContact CG-CG2 4.09Å; W743-I825 HydrophobicContact CZ2-CD1 4.49Å; W743-Y829 WeakPolarHBondContact CB-OH 3.45Å; W743-Y829 PolarHBondContact O-OH 3.15Å |
| 744 | Q | 90.9 | Very high | 83.8 | Confident | 77 Ų | 77 | 57.7 Ų | 57.7 | 36% | 0.36 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -57.4 | -40.3 | 177.2 | 179.6 | 58.9 | 51.3 | 0 | 0 | 111.5 | E741 L746 A747 D748 Y829 | E741-Q744 WeakPolarHBondContact O-CB 3.39Å; E741-Q744 PolarHBondContact O-N 3.13Å; Q744-L746 PolarHBondContact O-N 2.89Å; Q744-L746 VanDerWaalsContact O-N 3.16Å; Q744-A747 WeakPolarHBondContact O-CA 3.46Å; Q744-A747 WeakPolarHBondContact O-CB 3.4Å; Q744-A747 PolarHBondContact O-N 3.18Å; Q744-D748 PolarHBondContact NE2-OD1 3.04Å; Q744-D748 VanDerWaalsContact O-CG 3.32Å; Q744-D748 PolarHBondContact O-N 3.32Å; Q744-Y829 PolarHBondContact N-OH 3.01Å |
| 745 | H | 92.3 | Very high | 85.8 | Confident | 23 Ų | 23 | 52.7 Ų | 52.7 | 11% | 0.106 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.9 | -25.8 | 176.6 | 68.8 | 84.7 | 0 | 0 | 0 | 113.2 | E655 S719 R742 W743 L749 | E655-H745 PolarHBondContact O-CE1 3.25Å; S719-H745 WeakPolarHBondContact CB-O 3.4Å; S719-H745 PolarHBondContact O-ND1 3.17Å; S719-H745 PolarHBondContact OG-ND1 3.22Å; S719-H745 PolarHBondContact OG-O 3.33Å; R742-H745 PolarHBondContact O-CD2 2.98Å; R742-H745 PolarHBondContact O-NE2 2.96Å; R742-H745 VanDerWaalsContact O-NE2 3.16Å; W743-H745 AromaticContact CE3-CE1 3.88Å; W743-H745 AromaticContact CE3-NE2 3.9Å; W743-H745 AromaticContact CZ3-CE1 3.99Å; W743-H745 PolarHBondContact O-N 2.83Å; H745-L749 WeakPolarHBondContact O-CB 3.22Å; H745-L749 PolarHBondContact O-N 2.94Å; H745-L749 VanDerWaalsContact O-N 3.13Å |
| 746 | L | 94.6 | Very high | 87.8 | Confident | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -76.2 | -37.1 | 174.8 | 179.8 | 67.9 | 0 | 0 | 0 | 111.1 | W743 Q744 L749 A750 K779 I825 L826 | W743-L746 HydrophobicContact CE3-CB 3.91Å; W743-L746 HydrophobicContact CE3-CD2 3.82Å; W743-L746 HydrophobicContact CE3-CG 4.44Å; W743-L746 HydrophobicContact CZ3-CD2 4.36Å; W743-L746 WeakPolarHBondContact O-CB 3.47Å; W743-L746 PolarHBondContact O-N 3.39Å; Q744-L746 PolarHBondContact O-N 2.89Å; Q744-L746 VanDerWaalsContact O-N 3.16Å; L746-L749 PolarHBondContact O-N 3.5Å; L746-A750 PolarHBondContact O-N 2.99Å; L746-A750 VanDerWaalsContact O-N 3.07Å; L746-K779 HydrophobicContact CD1-CB 4.31Å; L746-K779 HydrophobicContact CD2-CB 4.04Å; L746-K779 HydrophobicContact CD2-CD 3.9Å; L746-I825 HydrophobicContact CD2-CB 4.43Å; L746-I825 HydrophobicContact CD2-CG2 4.14Å; L746-L826 HydrophobicContact CD2-CG 4.47Å; L746-L826 HydrophobicContact CG-CD2 4.13Å |
| 747 | A | 93.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.3 | -44.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111 | W743 Q744 L749 A750 D751 L826 Y829 F831 | W743-A747 PolarHBondContact O-N 3.27Å; Q744-A747 WeakPolarHBondContact O-CA 3.46Å; Q744-A747 WeakPolarHBondContact O-CB 3.4Å; Q744-A747 PolarHBondContact O-N 3.18Å; A747-L749 VanDerWaalsContact C-N 3.28Å; A747-L749 PolarHBondContact O-N 3.32Å; A747-A750 WeakPolarHBondContact O-CB 3.21Å; A747-A750 PolarHBondContact O-N 3.42Å; A747-A750 VanDerWaalsContact O-N 3.09Å; A747-D751 PolarHBondContact O-N 2.87Å; A747-L826 HydrophobicContact CB-CD2 4.39Å; A747-Y829 HydrophobicContact CB-CD1 3.61Å; A747-Y829 HydrophobicContact CB-CD2 4.36Å; A747-Y829 HydrophobicContact CB-CE1 3.95Å; A747-Y829 HydrophobicContact CB-CG 3.82Å; A747-F831 HydrophobicContact CB-CE2 4.02Å |
| 748 | D | 94.6 | Very high | 91 | Very high | 23 Ų | 23 | 37.9 Ų | 37.9 | 12% | 0.123 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.5 | -39.2 | 176.1 | -58.5 | -21.9 | 0 | 0 | 0 | 111.2 | Q744 A750 D751 F752 | Q744-D748 PolarHBondContact NE2-OD1 3.04Å; Q744-D748 VanDerWaalsContact O-CG 3.32Å; Q744-D748 PolarHBondContact O-N 3.32Å; D748-A750 VanDerWaalsContact C-N 3.35Å; D748-A750 PolarHBondContact O-N 3.47Å; D748-D751 PolarHBondContact O-N 3.45Å; D748-F752 WeakPolarHBondContact O-CB 3.44Å; D748-F752 PolarHBondContact O-N 3.41Å |
| 749 | L | 96.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.5 | -36.7 | 175 | -173.2 | 64.4 | 0 | 0 | 0 | 112.5 | G657 M659 I705 H745 L746 A747 F752 A753 L777 | G657-L749 VanDerWaalsContact C-CD2 3.47Å; M659-L749 HydrophobicContact CB-CD1 3.98Å; M659-L749 HydrophobicContact CB-CD2 4.14Å; M659-L749 HydrophobicContact CB-CG 4.2Å; M659-L749 HydrophobicContact CE-CD1 4.43Å; M659-L749 HydrophobicContact SD-CD1 4.4Å; I705-L749 HydrophobicContact CD1-CD1 4.36Å; I705-L749 HydrophobicContact CG2-CD1 4.05Å; H745-L749 WeakPolarHBondContact O-CB 3.22Å; H745-L749 PolarHBondContact O-N 2.94Å; H745-L749 VanDerWaalsContact O-N 3.13Å; L746-L749 PolarHBondContact O-N 3.5Å; A747-L749 VanDerWaalsContact C-N 3.28Å; A747-L749 PolarHBondContact O-N 3.32Å; L749-F752 PolarHBondContact O-N 2.88Å; L749-A753 PolarHBondContact O-N 3.45Å; L749-L777 HydrophobicContact CD2-CD2 3.86Å; L749-L777 HydrophobicContact CG-CD2 3.91Å |
| 750 | A | 96.5 | Very high | 92.9 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.008 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -70.5 | -39.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L746 A747 D748 F752 A753 L754 L777 L826 F831 L852 | L746-A750 PolarHBondContact O-N 2.99Å; L746-A750 VanDerWaalsContact O-N 3.07Å; A747-A750 WeakPolarHBondContact O-CB 3.21Å; A747-A750 PolarHBondContact O-N 3.42Å; A747-A750 VanDerWaalsContact O-N 3.09Å; D748-A750 VanDerWaalsContact C-N 3.35Å; D748-A750 PolarHBondContact O-N 3.47Å; A750-F752 VanDerWaalsContact C-N 3.32Å; A750-A753 WeakPolarHBondContact O-CB 3.3Å; A750-A753 PolarHBondContact O-N 2.88Å; A750-L754 PolarHBondContact O-N 3.39Å; A750-L754 VanDerWaalsContact O-N 3.11Å; A750-L777 HydrophobicContact CB-CD1 4.49Å; A750-L826 HydrophobicContact CB-CD1 4.16Å; A750-L826 HydrophobicContact CB-CD2 3.98Å; A750-F831 HydrophobicContact CB-CE1 4.03Å; A750-F831 HydrophobicContact CB-CE2 4.28Å; A750-F831 HydrophobicContact CB-CZ 3.84Å; A750-L852 HydrophobicContact CB-CD1 4.11Å |
| 751 | D | 96.2 | Very high | 93.6 | Very high | 39 Ų | 39 | 29 Ų | 29 | 21% | 0.209 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64 | -37.8 | 172.3 | -78.4 | -36.2 | 0 | 0 | 0 | 111.3 | F702 A747 D748 L754 A755 F831 R855 | F702-D751 HydrophobicContact CE1-CB 4.1Å; A747-D751 PolarHBondContact O-N 2.87Å; D748-D751 PolarHBondContact O-N 3.45Å; D751-L754 PolarHBondContact O-N 3.36Å; D751-A755 WeakPolarHBondContact O-CB 3.37Å; D751-A755 PolarHBondContact O-N 2.99Å; D751-F831 WeakPolarHBondContact OD1-CE1 3.4Å; D751-F831 WeakPolarHBondContact OD1-CZ 3.24Å; D751-R855 IonicContact OD1-NH1 2.72Å; D751-R855 PolarHBondContact OD1-NH1 3.24Å; D751-R855 IonicContact OD2-CZ 3.32Å; D751-R855 IonicContact OD2-NH1 3.83Å; D751-R855 PolarHBondContact OD2-NH1 2.98Å |
| 752 | F | 97.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.9 | -43.8 | 173.4 | -178.6 | -104.6 | 0 | 0 | 0 | 111.9 | M659 L696 L697 F702 I705 Y715 D748 L749 A750 L754 A755 M756 | M659-F752 HydrophobicContact CE-CD1 3.57Å; M659-F752 HydrophobicContact CE-CE1 3.62Å; M659-F752 HydrophobicContact SD-CD1 4.46Å; L696-F752 HydrophobicContact CB-CD2 4.21Å; L696-F752 HydrophobicContact CB-CE2 3.59Å; L696-F752 HydrophobicContact CD1-CE2 4.17Å; L697-F752 HydrophobicContact CD2-CD2 4.31Å; L697-F752 HydrophobicContact CD2-CE1 4.48Å; L697-F752 HydrophobicContact CD2-CE2 3.57Å; L697-F752 HydrophobicContact CD2-CZ 3.69Å; L697-F752 HydrophobicContact CG-CE2 4.09Å; L697-F752 HydrophobicContact CG-CZ 4.14Å; F702-F752 HydrophobicContact CB-CD2 4.4Å; F702-F752 HydrophobicContact CD1-CB 3.88Å; F702-F752 HydrophobicContact CD1-CD2 4.15Å; F702-F752 HydrophobicContact CD1-CG 4.49Å; F702-F752 AromaticContact CD2-CD2 3.78Å; F702-F752 HydrophobicContact CD2-CD2 3.78Å; F702-F752 HydrophobicContact CD2-CE2 4.48Å; F702-F752 HydrophobicContact CE1-CB 3.68Å; F702-F752 HydrophobicContact CE1-CD2 4.35Å; F702-F752 AromaticContact CE2-CD2 3.95Å; F702-F752 HydrophobicContact CE2-CD2 3.95Å; F702-F752 HydrophobicContact CG-CB 4.45Å; F702-F752 AromaticContact CG-CD2 3.87Å; F702-F752 HydrophobicContact CG-CD2 3.87Å; F702-F752 HydrophobicContact CZ-CB 4.07Å; F702-F752 HydrophobicContact CZ-CD2 4.25Å; I705-F752 HydrophobicContact CD1-CB 3.29Å; I705-F752 HydrophobicContact CD1-CD1 4.2Å; I705-F752 HydrophobicContact CD1-CD2 4.01Å; I705-F752 HydrophobicContact CD1-CG 3.6Å; I705-F752 HydrophobicContact CG2-CD1 4.3Å; I705-F752 HydrophobicContact CG2-CE1 4.43Å; Y715-F752 HydrophobicContact CE1-CE1 4.07Å; Y715-F752 HydrophobicContact CE1-CZ 4.19Å; D748-F752 WeakPolarHBondContact O-CB 3.44Å; D748-F752 PolarHBondContact O-N 3.41Å; L749-F752 PolarHBondContact O-N 2.88Å; A750-F752 VanDerWaalsContact C-N 3.32Å; F752-L754 VanDerWaalsContact C-N 3.28Å; F752-L754 PolarHBondContact O-N 2.98Å; F752-A755 PolarHBondContact O-N 3.24Å; F752-A755 VanDerWaalsContact O-N 3.15Å; F752-M756 HydrophobicContact CD1-CG 4.29Å; F752-M756 HydrophobicContact CD1-SD 3.87Å; F752-M756 HydrophobicContact CE1-CG 3.97Å; F752-M756 HydrophobicContact CE1-SD 3.39Å; F752-M756 WeakPolarHBondContact CE1-SD 3.24Å; F752-M756 HydrophobicContact CZ-CG 4.11Å; F752-M756 HydrophobicContact CZ-SD 3.98Å; F752-M756 WeakPolarHBondContact O-CG 3.43Å; F752-M756 PolarHBondContact O-N 3Å |
| 753 | A | 97.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -58.6 | -38.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | M659 L749 A750 K757 I775 L777 I816 | M659-A753 HydrophobicContact SD-CB 3.63Å; L749-A753 PolarHBondContact O-N 3.45Å; A750-A753 WeakPolarHBondContact O-CB 3.3Å; A750-A753 PolarHBondContact O-N 2.88Å; A753-K757 PolarHBondContact O-N 2.91Å; A753-I775 HydrophobicContact CB-CD1 4.07Å; A753-I775 HydrophobicContact CB-CG2 4.26Å; A753-L777 HydrophobicContact CB-CD1 4.46Å; A753-I816 HydrophobicContact CB-CD1 3.92Å; A753-I816 HydrophobicContact CB-CG1 4.5Å |
| 754 | L | 96 | Very high | 94.5 | Very high | 32 Ų | 32 | 24.3 Ų | 24.3 | 17% | 0.168 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -68.7 | -43 | 174.3 | -70.5 | 172 | 0 | 0 | 0 | 111.8 | A750 D751 F752 K757 V758 I816 F831 L852 | A750-L754 PolarHBondContact O-N 3.39Å; A750-L754 VanDerWaalsContact O-N 3.11Å; D751-L754 PolarHBondContact O-N 3.36Å; F752-L754 VanDerWaalsContact C-N 3.28Å; F752-L754 PolarHBondContact O-N 2.98Å; L754-K757 WeakPolarHBondContact O-CB 3.43Å; L754-K757 PolarHBondContact O-N 3.29Å; L754-V758 PolarHBondContact O-N 2.94Å; L754-I816 HydrophobicContact CD2-CD1 3.72Å; L754-I816 HydrophobicContact CG-CD1 4.14Å; L754-F831 HydrophobicContact CD1-CD1 4.42Å; L754-F831 HydrophobicContact CD1-CE1 4.01Å; L754-L852 HydrophobicContact CD1-CD2 4.12Å; L754-L852 HydrophobicContact CD2-CD2 3.78Å; L754-L852 HydrophobicContact CG-CD2 4Å |
| 755 | A | 96.3 | Very high | 94.5 | Very high | 19 Ų | 19 | 30.2 Ų | 30.2 | 16% | 0.157 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.4 | -44.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L696 F702 D751 F752 K757 V758 T759 | L696-A755 HydrophobicContact CD1-CB 4.14Å; L696-A755 HydrophobicContact CD2-CB 4.38Å; F702-A755 HydrophobicContact CE2-CB 4.14Å; F702-A755 HydrophobicContact CZ-CB 4Å; D751-A755 WeakPolarHBondContact O-CB 3.37Å; D751-A755 PolarHBondContact O-N 2.99Å; F752-A755 PolarHBondContact O-N 3.24Å; F752-A755 VanDerWaalsContact O-N 3.15Å; A755-K757 VanDerWaalsContact C-N 3.26Å; A755-K757 PolarHBondContact O-N 3.01Å; A755-V758 WeakPolarHBondContact O-CB 3.43Å; A755-V758 PolarHBondContact O-N 3.26Å; A755-T759 PolarHBondContact O-N 3.36Å; A755-T759 PolarHBondContact O-OG1 3.46Å; A755-T759 VanDerWaalsContact O-OG1 3.12Å |
| 756 | M | 96.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -55.8 | -39.5 | 174.9 | -72.2 | -178.4 | 72.4 | 0 | 0 | 112.5 | M659 A661 F693 L696 Y715 F752 T759 L760 L773 | M659-M756 HydrophobicContact CE-SD 3.57Å; M659-M756 VanDerWaalsContact CE-SD 3.57Å; A661-M756 HydrophobicContact CB-CE 3.87Å; A661-M756 HydrophobicContact CB-SD 4.39Å; F693-M756 HydrophobicContact CB-CE 4.29Å; F693-M756 HydrophobicContact CD1-CB 4.29Å; F693-M756 HydrophobicContact CD1-CE 4.08Å; F693-M756 HydrophobicContact CD1-CG 4.12Å; F693-M756 HydrophobicContact CD2-CE 3.39Å; F693-M756 HydrophobicContact CE1-CB 4.09Å; F693-M756 HydrophobicContact CE1-CE 4.22Å; F693-M756 HydrophobicContact CE1-CG 4.4Å; F693-M756 WeakPolarHBondContact CE1-O 3.42Å; F693-M756 HydrophobicContact CE2-CE 3.54Å; F693-M756 HydrophobicContact CG-CE 3.67Å; F693-M756 HydrophobicContact CG-CG 4.44Å; F693-M756 HydrophobicContact CZ-CE 3.96Å; L696-M756 HydrophobicContact CD1-CG 3.95Å; Y715-M756 HydrophobicContact CD1-CE 4.1Å; Y715-M756 HydrophobicContact CG-CE 4.2Å; F752-M756 HydrophobicContact CD1-CG 4.29Å; F752-M756 HydrophobicContact CD1-SD 3.87Å; F752-M756 HydrophobicContact CE1-CG 3.97Å; F752-M756 HydrophobicContact CE1-SD 3.39Å; F752-M756 WeakPolarHBondContact CE1-SD 3.24Å; F752-M756 HydrophobicContact CZ-CG 4.11Å; F752-M756 HydrophobicContact CZ-SD 3.98Å; F752-M756 WeakPolarHBondContact O-CG 3.43Å; F752-M756 PolarHBondContact O-N 3Å; M756-T759 PolarHBondContact O-N 3.46Å; M756-L760 PolarHBondContact O-N 3.31Å; M756-L773 HydrophobicContact CB-CD1 3.89Å |
| 757 | K | 94.6 | Very high | 93.9 | Very high | 37 Ų | 37 | 37.6 Ų | 37.6 | 16% | 0.161 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.9 | -44.2 | 175.2 | -74.8 | -175.5 | 61.5 | 177.1 | 0 | 112 | A753 L754 A755 L760 M761 L773 I775 G814 I816 | A753-K757 PolarHBondContact O-N 2.91Å; L754-K757 WeakPolarHBondContact O-CB 3.43Å; L754-K757 PolarHBondContact O-N 3.29Å; A755-K757 VanDerWaalsContact C-N 3.26Å; A755-K757 PolarHBondContact O-N 3.01Å; K757-L760 PolarHBondContact O-N 2.89Å; K757-M761 VanDerWaalsContact O-CG 3.25Å; K757-M761 WeakPolarHBondContact O-CG 3.17Å; K757-M761 PolarHBondContact O-N 2.94Å; K757-L773 HydrophobicContact CG-CB 4.42Å; K757-L773 HydrophobicContact CG-CD1 4.02Å; K757-I775 HydrophobicContact CG-CD1 4.33Å; K757-G814 WeakPolarHBondContact CE-O 3.3Å; K757-G814 PolarHBondContact NZ-O 2.96Å; K757-I816 HydrophobicContact CD-CD1 3.99Å; K757-I816 HydrophobicContact CD-CG1 4.09Å |
| 758 | V | 94.3 | Very high | 93.7 | Very high | 36 Ų | 36 | 46.8 Ų | 46.8 | 22% | 0.218 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.5 | -45.2 | 177.6 | 178.2 | 0 | 0 | 0 | 0 | 110.6 | L754 A755 L760 M761 N762 V867 | L754-V758 PolarHBondContact O-N 2.94Å; A755-V758 WeakPolarHBondContact O-CB 3.43Å; A755-V758 PolarHBondContact O-N 3.26Å; V758-L760 PolarHBondContact O-N 3.48Å; V758-M761 WeakPolarHBondContact O-CB 3.21Å; V758-M761 PolarHBondContact O-N 3Å; V758-M761 VanDerWaalsContact O-N 3.17Å; V758-N762 PolarHBondContact O-N 3.29Å; V758-V867 HydrophobicContact CG2-CB 4.37Å; V758-V867 HydrophobicContact CG2-CG1 3.37Å; V758-V867 HydrophobicContact CG2-CG2 4.06Å |
| 759 | T | 94.9 | Very high | 93.4 | Very high | 23 Ų | 23 | 48.1 Ų | 48.1 | 14% | 0.141 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.1 | -48.4 | 176.8 | -58 | 0 | 0 | 0 | 0 | 111.1 | D692 F693 A755 M756 M761 N762 I763 | D692-T759 HydrophobicContact CB-CG2 3.68Å; F693-T759 HydrophobicContact CD1-CG2 4.18Å; F693-T759 HydrophobicContact CE1-CG2 4.26Å; A755-T759 PolarHBondContact O-N 3.36Å; A755-T759 PolarHBondContact O-OG1 3.46Å; A755-T759 VanDerWaalsContact O-OG1 3.12Å; M756-T759 PolarHBondContact O-N 3.46Å; T759-M761 VanDerWaalsContact C-N 3.31Å; T759-M761 PolarHBondContact O-N 3.25Å; T759-N762 WeakPolarHBondContact O-CB 3.48Å; T759-N762 PolarHBondContact O-N 3.24Å; T759-N762 VanDerWaalsContact O-N 3.16Å; T759-I763 HydrophobicContact CG2-CD1 4.29Å; T759-I763 WeakPolarHBondContact O-CG1 3.45Å; T759-I763 PolarHBondContact O-N 3.02Å |
| 760 | L | 94.8 | Very high | 93.2 | Very high | 4 Ų | 4 | 53.6 Ų | 53.6 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.6 | -36.2 | 176.9 | -170.7 | 65.2 | 0 | 0 | 0 | 112.6 | I689 F693 M756 K757 V758 N762 I763 N764 F771 L773 | I689-L760 HydrophobicContact CD1-CD1 4.11Å; I689-L760 HydrophobicContact CG1-CD1 4.13Å; I689-L760 HydrophobicContact CG2-CD1 3.94Å; F693-L760 HydrophobicContact CE1-CB 4.38Å; F693-L760 HydrophobicContact CZ-CB 4.25Å; F693-L760 HydrophobicContact CZ-CD1 4.49Å; M756-L760 PolarHBondContact O-N 3.31Å; K757-L760 PolarHBondContact O-N 2.89Å; V758-L760 PolarHBondContact O-N 3.48Å; L760-N762 VanDerWaalsContact C-N 3.33Å; L760-N762 PolarHBondContact O-N 3.43Å; L760-I763 PolarHBondContact O-N 3.46Å; L760-N764 WeakPolarHBondContact O-CB 3.21Å; L760-N764 VanDerWaalsContact O-CG 3.3Å; L760-N764 PolarHBondContact O-N 3.47Å; L760-N764 PolarHBondContact O-ND2 3.27Å; L760-F771 HydrophobicContact CD1-CB 3.96Å; L760-F771 HydrophobicContact CD2-CB 3.88Å; L760-F771 WeakPolarHBondContact CD2-O 3.33Å; L760-F771 HydrophobicContact CG-CB 4.18Å; L760-L773 HydrophobicContact CB-CD1 4.37Å; L760-L773 HydrophobicContact CD2-CD1 4.3Å; L760-L773 HydrophobicContact CD2-CD2 4.06Å; L760-L773 HydrophobicContact CD2-CG 3.58Å |
| 761 | M | 92.7 | Very high | 93.1 | Very high | 78 Ų | 78 | 54 Ų | 54 | 38% | 0.384 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.4 | -39.8 | 174.8 | -74.2 | 175.8 | 72.2 | 0 | 0 | 112 | K757 V758 T759 N764 Y765 L869 | K757-M761 VanDerWaalsContact O-CG 3.25Å; K757-M761 WeakPolarHBondContact O-CG 3.17Å; K757-M761 PolarHBondContact O-N 2.94Å; V758-M761 WeakPolarHBondContact O-CB 3.21Å; V758-M761 PolarHBondContact O-N 3Å; V758-M761 VanDerWaalsContact O-N 3.17Å; T759-M761 VanDerWaalsContact C-N 3.31Å; T759-M761 PolarHBondContact O-N 3.25Å; M761-N764 PolarHBondContact O-N 3.22Å; M761-Y765 PolarHBondContact O-N 3.37Å; M761-L869 HydrophobicContact CE-CD2 4.28Å; M761-L869 HydrophobicContact SD-CD2 3.63Å |
| 762 | N | 92.4 | Very high | 92.9 | Very high | 90 Ų | 90 | 55.3 Ų | 55.3 | 48% | 0.481 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65 | -43.8 | 175.8 | -66.9 | -20.9 | 0 | 0 | 0 | 111.3 | V758 T759 L760 N764 Y765 Q766 | V758-N762 PolarHBondContact O-N 3.29Å; T759-N762 WeakPolarHBondContact O-CB 3.48Å; T759-N762 PolarHBondContact O-N 3.24Å; T759-N762 VanDerWaalsContact O-N 3.16Å; L760-N762 VanDerWaalsContact C-N 3.33Å; L760-N762 PolarHBondContact O-N 3.43Å; N762-N764 PolarHBondContact O-N 3.31Å; N762-Y765 WeakPolarHBondContact O-CB 3.46Å; N762-Y765 PolarHBondContact O-N 3.13Å; N762-Q766 WeakPolarHBondContact O-CG 3.49Å; N762-Q766 PolarHBondContact O-N 3.21Å |
| 763 | I | 90.9 | Very high | 92.9 | Very high | 12 Ų | 12 | 55.6 Ų | 55.6 | 6% | 0.062 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61 | -45.5 | 175.9 | -64.1 | 169.4 | 0 | 0 | 0 | 110.7 | F685 I689 D692 T759 L760 Y765 Q766 S767 | F685-I763 HydrophobicContact CE1-CG2 3.95Å; F685-I763 HydrophobicContact CZ-CG2 3.65Å; I689-I763 HydrophobicContact CB-CD1 4.31Å; I689-I763 HydrophobicContact CG1-CD1 3.98Å; I689-I763 HydrophobicContact CG1-CG2 4.14Å; I689-I763 HydrophobicContact CG2-CD1 4.45Å; D692-I763 HydrophobicContact CB-CD1 4.03Å; D692-I763 VanDerWaalsContact OD2-CD1 3.25Å; D692-I763 WeakPolarHBondContact OD2-CD1 3.37Å; D692-I763 WeakPolarHBondContact OD2-CG1 3.08Å; T759-I763 HydrophobicContact CG2-CD1 4.29Å; T759-I763 WeakPolarHBondContact O-CG1 3.45Å; T759-I763 PolarHBondContact O-N 3.02Å; L760-I763 PolarHBondContact O-N 3.46Å; I763-Y765 VanDerWaalsContact C-N 3.32Å; I763-Y765 PolarHBondContact O-N 2.88Å; I763-Q766 PolarHBondContact O-N 3.46Å; I763-S767 VanDerWaalsContact O-CB 3.27Å; I763-S767 WeakPolarHBondContact O-CB 3.45Å; I763-S767 PolarHBondContact O-N 2.96Å; I763-S767 PolarHBondContact O-OG 3.49Å |
| 764 | N | 92.6 | Very high | 92.8 | Very high | 15 Ų | 15 | 58.1 Ų | 58.1 | 8% | 0.08 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.3 | -44.9 | 175.8 | -81 | -20 | 0 | 0 | 0 | 112 | L760 M761 N762 Q766 S767 F768 N769 F771 | L760-N764 WeakPolarHBondContact O-CB 3.21Å; L760-N764 VanDerWaalsContact O-CG 3.3Å; L760-N764 PolarHBondContact O-N 3.47Å; L760-N764 PolarHBondContact O-ND2 3.27Å; M761-N764 PolarHBondContact O-N 3.22Å; N762-N764 PolarHBondContact O-N 3.31Å; N764-Q766 PolarHBondContact O-N 3.08Å; N764-S767 PolarHBondContact O-N 3.37Å; N764-F768 WeakPolarHBondContact O-CA 3.32Å; N764-F768 PolarHBondContact O-N 2.79Å; N764-N769 WeakPolarHBondContact CB-O 3.48Å; N764-N769 PolarHBondContact O-N 2.92Å; N764-F771 PolarHBondContact ND2-N 3.41Å; N764-F771 PolarHBondContact ND2-O 3.45Å; N764-F771 WeakPolarHBondContact OD1-CB 3.36Å; N764-F771 WeakPolarHBondContact OD1-CD2 3.32Å; N764-F771 PolarHBondContact OD1-N 2.9Å |
| 765 | Y | 90.7 | Very high | 92.9 | Very high | 200 Ų | 200 | 56.7 Ų | 56.7 | 78% | 0.784 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -62.1 | -42.7 | 177.9 | -177.5 | -98.4 | 0 | 0 | 0 | 112.2 | M761 N762 I763 | M761-Y765 PolarHBondContact O-N 3.37Å; N762-Y765 WeakPolarHBondContact O-CB 3.46Å; N762-Y765 PolarHBondContact O-N 3.13Å; I763-Y765 VanDerWaalsContact C-N 3.32Å; I763-Y765 PolarHBondContact O-N 2.88Å |
| 766 | Q | 88.1 | Confident | 93 | Very high | 149 Ų | 149 | 55.8 Ų | 55.8 | 70% | 0.696 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -73.5 | -30.6 | -179.7 | -69.7 | 174.6 | -6.2 | 0 | 0 | 113.4 | N762 I763 N764 | N762-Q766 WeakPolarHBondContact O-CG 3.49Å; N762-Q766 PolarHBondContact O-N 3.21Å; I763-Q766 PolarHBondContact O-N 3.46Å; N764-Q766 PolarHBondContact O-N 3.08Å |
| 767 | S | 86 | Confident | 93 | Very high | 31 Ų | 31 | 55.9 Ų | 55.9 | 22% | 0.217 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -100.8 | -1.9 | -174.4 | 64.3 | 0 | 0 | 0 | 0 | 114.6 | F685 I763 N764 N769 | F685-S767 VanDerWaalsContact CZ-OG 3.32Å; F685-S767 WeakPolarHBondContact CZ-OG 3.42Å; I763-S767 VanDerWaalsContact O-CB 3.27Å; I763-S767 WeakPolarHBondContact O-CB 3.45Å; I763-S767 PolarHBondContact O-N 2.96Å; I763-S767 PolarHBondContact O-OG 3.49Å; N764-S767 PolarHBondContact O-N 3.37Å; S767-N769 PolarHBondContact O-N 3.41Å; S767-N769 PolarHBondContact O-ND2 2.91Å; S767-N769 PolarHBondContact OG-ND2 3.39Å |
| 768 | F | 88.9 | Confident | 93 | Very high | 194 Ų | 194 | 54.7 Ų | 54.7 | 85% | 0.851 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 29.5 | -172.4 | -55.3 | -84 | 0 | 0 | 0 | 113.7 | N764 | N764-F768 WeakPolarHBondContact O-CA 3.32Å; N764-F768 PolarHBondContact O-N 2.79Å |
| 769 | N | 88.7 | Confident | 93 | Very high | 51 Ų | 51 | 55.2 Ų | 55.2 | 27% | 0.273 | 26% | 0.262 | S | S | . | . | trans | -104.1 | 173.1 | 173.7 | -74.5 | -67.8 | 0 | 0 | 0 | 111.5 | N764 S767 F771 | N764-N769 WeakPolarHBondContact CB-O 3.48Å; N764-N769 PolarHBondContact O-N 2.92Å; S767-N769 PolarHBondContact O-N 3.41Å; S767-N769 PolarHBondContact O-ND2 2.91Å; S767-N769 PolarHBondContact OG-ND2 3.39Å; N769-F771 HydrophobicContact CB-CD2 3.79Å; N769-F771 HydrophobicContact CB-CE2 3.53Å; N769-F771 HydrophobicContact CB-CZ 4.34Å | ||
| 770 | N | 91.8 | Very high | 92.9 | Very high | 114 Ų | 114 | 54.9 Ų | 54.9 | 61% | 0.61 | 26% | 0.263 | S | S | * | . | trans | -136.9 | 54.6 | 177.8 | -170.4 | 29.4 | 0 | 0 | 0 | 112 | N665 | N665-N770 PolarHBondContact ND2-O 2.92Š| ||
| 771 | F | 94.1 | Very high | 92.5 | Very high | 9 Ų | 9 | 56.4 Ų | 56.4 | 4% | 0.039 | 28% | 0.279 | C | S | . | . | trans | -65.8 | 136.1 | 173.7 | -64.9 | -65.2 | 0 | 0 | 0 | 110.9 | I663 F666 F669 F685 I689 L760 N764 N769 | I663-F771 HydrophobicContact CG2-CB 3.88Å; I663-F771 HydrophobicContact CG2-CD1 3.79Å; I663-F771 HydrophobicContact CG2-CG 4.16Å; F666-F771 HydrophobicContact CD2-CE1 4.04Å; F666-F771 HydrophobicContact CD2-CZ 4.45Å; F669-F771 HydrophobicContact CB-CE1 3.85Å; F669-F771 HydrophobicContact CB-CZ 4.15Å; F669-F771 HydrophobicContact CD1-CE1 4.2Å; F669-F771 AromaticContact CD1-CZ 3.81Å; F669-F771 HydrophobicContact CD1-CZ 3.81Å; F669-F771 HydrophobicContact CD2-CE1 4.47Å; F669-F771 AromaticContact CD2-CZ 3.95Å; F669-F771 HydrophobicContact CD2-CZ 3.95Å; F669-F771 HydrophobicContact CE1-CZ 4.14Å; F669-F771 HydrophobicContact CE2-CZ 4.28Å; F669-F771 AromaticContact CG-CE1 3.93Å; F669-F771 HydrophobicContact CG-CE1 3.93Å; F669-F771 AromaticContact CG-CZ 3.7Å; F669-F771 HydrophobicContact CG-CZ 3.7Å; F669-F771 HydrophobicContact CZ-CZ 4.37Å; F685-F771 HydrophobicContact CD1-CD2 4.44Å; F685-F771 AromaticContact CD1-CE2 3.67Å; F685-F771 HydrophobicContact CD1-CE2 3.67Å; F685-F771 HydrophobicContact CD1-CZ 4.24Å; F685-F771 AromaticContact CE1-CD2 3.79Å; F685-F771 HydrophobicContact CE1-CD2 3.79Å; F685-F771 AromaticContact CE1-CE2 3.28Å; F685-F771 HydrophobicContact CE1-CE2 3.28Å; F685-F771 HydrophobicContact CE1-CZ 4.26Å; F685-F771 HydrophobicContact CZ-CE2 4.17Å; I689-F771 HydrophobicContact CD1-CD2 4.26Å; L760-F771 HydrophobicContact CD1-CB 3.96Å; L760-F771 HydrophobicContact CD2-CB 3.88Å; L760-F771 WeakPolarHBondContact CD2-O 3.33Å; L760-F771 HydrophobicContact CG-CB 4.18Å; N764-F771 PolarHBondContact ND2-N 3.41Å; N764-F771 PolarHBondContact ND2-O 3.45Å; N764-F771 WeakPolarHBondContact OD1-CB 3.36Å; N764-F771 WeakPolarHBondContact OD1-CD2 3.32Å; N764-F771 PolarHBondContact OD1-N 2.9Å; N769-F771 HydrophobicContact CB-CD2 3.79Å; N769-F771 HydrophobicContact CB-CE2 3.53Å; N769-F771 HydrophobicContact CB-CZ 4.34Å | ||
| 772 | M | 93.3 | Very high | 92.3 | Very high | 68 Ų | 68 | 53 Ų | 53 | 34% | 0.335 | 26% | 0.262 | S | S | . | . | trans | -119.9 | 128.9 | -179.7 | -70.1 | -170.9 | -77.8 | 0 | 0 | 110.8 | P664 N665 M813 | P664-M772 WeakPolarHBondContact CD-O 3.39Å; N665-M772 PolarHBondContact OD1-N 3.1Å; N665-M772 VanDerWaalsContact OD1-N 3.11Å; M772-M813 HydrophobicContact CB-CB 4.21Å; M772-M813 HydrophobicContact CE-CB 4.23Å; M772-M813 HydrophobicContact CE-SD 4.01Å; M772-M813 HydrophobicContact SD-CB 4.32Å | ||
| 773 | L | 95.5 | Very high | 91.8 | Very high | 6 Ų | 6 | 49.3 Ų | 49.3 | 3% | 0.031 | 24% | 0.243 | C | C | . | . | trans | -77.2 | 140.1 | 172.5 | -72.2 | 173.5 | 0 | 0 | 0 | 111.3 | S662 I663 F693 M756 K757 L760 I775 G814 | S662-L773 WeakPolarHBondContact O-CA 3.27Å; I663-L773 HydrophobicContact CG1-CD2 3.75Å; F693-L773 HydrophobicContact CE2-CD2 4.32Å; F693-L773 HydrophobicContact CZ-CD1 4.14Å; F693-L773 HydrophobicContact CZ-CD2 4.16Å; M756-L773 HydrophobicContact CB-CD1 3.89Å; K757-L773 HydrophobicContact CG-CB 4.42Å; K757-L773 HydrophobicContact CG-CD1 4.02Å; L760-L773 HydrophobicContact CB-CD1 4.37Å; L760-L773 HydrophobicContact CD2-CD1 4.3Å; L760-L773 HydrophobicContact CD2-CD2 4.06Å; L760-L773 HydrophobicContact CD2-CG 3.58Å; L773-I775 HydrophobicContact CB-CD1 4.22Å; L773-I775 HydrophobicContact CB-CG1 4.09Å; L773-I775 HydrophobicContact CD1-CD1 4.11Å; L773-G814 WeakPolarHBondContact O-CA 3.26Å; L773-G814 PolarHBondContact O-N 3.01Å | ||
| 774 | R | 96.4 | Very high | 91.6 | Very high | 53 Ų | 53 | 48.7 Ų | 48.7 | 20% | 0.2 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 118.2 | 164.5 | 179.5 | 175.8 | 59.8 | -173.9 | -6.9 | 107.5 | S662 P664 E808 G811 | S662-R774 PolarHBondContact N-O 3.04Å; S662-R774 PolarHBondContact O-N 3.12Å; S662-R774 PolarHBondContact OG-NE 3.27Å; S662-R774 PolarHBondContact OG-NH2 3.37Å; P664-R774 HydrophobicContact CG-CB 3.88Å; R774-E808 WeakPolarHBondContact CD-O 2.94Å; R774-E808 VanDerWaalsContact CG-O 3.26Å; R774-E808 WeakPolarHBondContact CG-O 3.28Å; R774-E808 IonicContact CZ-OE1 3.57Å; R774-E808 PolarHBondContact NE-O 2.98Å; R774-E808 IonicContact NE-OE1 3.82Å; R774-E808 PolarHBondContact NE-OE1 3.41Å; R774-E808 IonicContact NH2-OE1 2.95Å; R774-E808 PolarHBondContact NH2-OE1 2.85Å; R774-G811 WeakPolarHBondContact CD-O 3.4Å |
| 775 | I | 97.9 | Very high | 91 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 130.3 | -171.3 | -55.5 | -179.5 | 0 | 0 | 0 | 110.5 | M659 F660 A661 A753 K757 L773 L777 N815 I816 Q817 | M659-I775 HydrophobicContact CG-CG2 3.66Å; M659-I775 HydrophobicContact SD-CG2 3.84Å; F660-I775 CarbonylContact O-C 3.26Å; F660-I775 VanDerWaalsContact O-CA 3.28Å; F660-I775 WeakPolarHBondContact O-CA 3.26Å; A661-I775 HydrophobicContact CB-CD1 4.2Å; A661-I775 HydrophobicContact CB-CG1 3.78Å; A661-I775 HydrophobicContact CB-CG2 4.47Å; A753-I775 HydrophobicContact CB-CD1 4.07Å; A753-I775 HydrophobicContact CB-CG2 4.26Å; K757-I775 HydrophobicContact CG-CD1 4.33Å; L773-I775 HydrophobicContact CB-CD1 4.22Å; L773-I775 HydrophobicContact CB-CG1 4.09Å; L773-I775 HydrophobicContact CD1-CD1 4.11Å; I775-L777 HydrophobicContact CG2-CG 4.37Å; I775-N815 PolarHBondContact N-O 3.46Å; I775-I816 HydrophobicContact CB-CB 4.4Å; I775-I816 HydrophobicContact CB-CG1 4.02Å; I775-I816 HydrophobicContact CB-CG2 4.36Å; I775-I816 HydrophobicContact CD1-CG1 4.05Å; I775-I816 HydrophobicContact CG1-CG1 4.43Å; I775-I816 HydrophobicContact CG2-CG1 4.48Å; I775-I816 HydrophobicContact CG2-CG2 4.19Å; I775-I816 CarbonylContact O-C 3.53Å; I775-I816 WeakPolarHBondContact O-CA 3.28Å; I775-Q817 PolarHBondContact O-N 3.29Å |
| 776 | G | 97.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 132.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | M659 F660 | M659-G776 WeakPolarHBondContact CA-O 3.41Å; F660-G776 PolarHBondContact N-O 2.83Å; F660-G776 PolarHBondContact O-N 3.47Å |
| 777 | L | 96.6 | Very high | 89.9 | Confident | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 138.3 | 179.7 | -77.9 | 169.2 | 0 | 0 | 0 | 110.4 | V658 M659 L749 A750 A753 I775 I816 Q817 V818 | V658-L777 WeakPolarHBondContact O-CA 3.4Å; M659-L777 HydrophobicContact CB-CD2 3.54Å; M659-L777 HydrophobicContact CG-CD2 3.58Å; M659-L777 HydrophobicContact CG-CG 4.25Å; M659-L777 HydrophobicContact SD-CD2 4.12Å; L749-L777 HydrophobicContact CD2-CD2 3.86Å; L749-L777 HydrophobicContact CG-CD2 3.91Å; A750-L777 HydrophobicContact CB-CD1 4.49Å; A753-L777 HydrophobicContact CB-CD1 4.46Å; I775-L777 HydrophobicContact CG2-CG 4.37Å; L777-I816 HydrophobicContact CD1-CG2 3.54Å; L777-I816 HydrophobicContact CG-CG2 4.29Å; L777-Q817 PolarHBondContact N-O 3.49Å; L777-V818 HydrophobicContact CB-CG1 3.73Å; L777-V818 HydrophobicContact CD1-CG1 4.12Å |
| 778 | N | 96 | Very high | 89 | Confident | 12 Ų | 12 | 30.5 Ų | 30.5 | 6% | 0.064 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 163 | 170.3 | -169 | 33.7 | 0 | 0 | 0 | 111.5 | V658 T800 V803 A804 V819 C822 | V658-N778 PolarHBondContact N-O 3.03Å; V658-N778 PolarHBondContact O-N 3.28Å; N778-T800 HydrophobicContact CB-CG2 4.48Å; N778-T800 WeakPolarHBondContact ND2-CA 3.41Å; N778-T800 PolarHBondContact ND2-O 2.91Å; N778-V803 HydrophobicContact CB-CG1 4.23Å; N778-V803 WeakPolarHBondContact ND2-CB 3.26Å; N778-A804 HydrophobicContact CB-CB 3.82Å; N778-V819 WeakPolarHBondContact OD1-CG2 3.23Å; N778-C822 VanDerWaalsContact C-SG 3.51Å; N778-C822 VanDerWaalsContact CA-SG 3.52Å |
| 779 | K | 94.1 | Very high | 87.5 | Confident | 48 Ų | 48 | 25.8 Ų | 25.8 | 21% | 0.209 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 155.7 | 176 | 76.2 | 177.2 | 178.4 | 77.4 | 0 | 112.2 | I656 W743 L746 D821 C822 I825 | I656-K779 CarbonylContact O-C 3.53Å; I656-K779 VanDerWaalsContact O-CA 3.28Å; I656-K779 WeakPolarHBondContact O-CA 3.37Å; W743-K779 HydrophobicContact CE3-CB 4.44Å; W743-K779 HydrophobicContact CE3-CD 4.24Å; W743-K779 HydrophobicContact CH2-CB 3.93Å; W743-K779 HydrophobicContact CH2-CD 3.92Å; W743-K779 HydrophobicContact CH2-CG 4.15Å; W743-K779 HydrophobicContact CZ2-CD 4.23Å; W743-K779 HydrophobicContact CZ3-CB 3.63Å; W743-K779 HydrophobicContact CZ3-CD 3.95Å; W743-K779 HydrophobicContact CZ3-CG 4.23Å; L746-K779 HydrophobicContact CD1-CB 4.31Å; L746-K779 HydrophobicContact CD2-CB 4.04Å; L746-K779 HydrophobicContact CD2-CD 3.9Å; K779-D821 VanDerWaalsContact CE-C 3.45Å; K779-D821 WeakPolarHBondContact CE-O 3.48Å; K779-C822 PolarHBondContact N-SG 3.07Å; K779-I825 HydrophobicContact CD-CD1 3.43Å; K779-I825 VanDerWaalsContact CD-CD1 3.43Å; K779-I825 HydrophobicContact CD-CG1 4.3Å |
| 780 | G | 91.1 | Very high | 86.1 | Confident | 16 Ų | 16 | 32.8 Ų | 32.8 | 17% | 0.165 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 143.7 | -168.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | D654 I656 T800 | D654-G780 CarbonylContact O-C 3.57Å; D654-G780 VanDerWaalsContact O-C 3.26Å; I656-G780 PolarHBondContact N-O 2.79Å; I656-G780 VanDerWaalsContact N-O 3.14Å; I656-G780 PolarHBondContact O-N 2.84Å; G780-T800 WeakPolarHBondContact CA-OG1 3.3Å |
| 781 | G | 87.6 | Confident | 85.1 | Confident | 35 Ų | 35 | 30 Ų | 30 | 36% | 0.361 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 144.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113 | Y653 D654 T800 | Y653-G781 CarbonylContact O-C 3.6Å; Y653-G781 WeakPolarHBondContact O-CA 3.44Å; D654-G781 WeakPolarHBondContact O-CA 3.27Å; D654-G781 PolarHBondContact O-N 3.47Å; D654-G781 VanDerWaalsContact O-N 3.12Å; G781-T800 PolarHBondContact N-OG1 2.97Å; G781-T800 PolarHBondContact O-OG1 2.87Å |
| 782 | V | 87.4 | Confident | 84.1 | Confident | 6 Ų | 6 | 30.1 Ų | 30.1 | 4% | 0.036 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 157.1 | 172.4 | -60.1 | 0 | 0 | 0 | 0 | 110.2 | Y653 I656 V658 I796 W797 T800 V801 | Y653-V782 PolarHBondContact N-O 2.82Å; Y653-V782 PolarHBondContact O-N 3.39Å; I656-V782 HydrophobicContact CB-CG2 3.94Å; I656-V782 HydrophobicContact CD1-CG2 3.35Å; I656-V782 HydrophobicContact CG1-CG2 4.12Å; I656-V782 HydrophobicContact CG2-CG2 3.92Å; V658-V782 HydrophobicContact CG2-CG1 4.2Å; V782-I796 HydrophobicContact CG2-CB 4.47Å; V782-W797 WeakPolarHBondContact CA-O 3.46Å; V782-W797 WeakPolarHBondContact CB-O 3.47Å; V782-T800 HydrophobicContact CG1-CG2 4.21Å; V782-V801 HydrophobicContact CG1-CG2 3.78Å |
| 783 | L | 83.6 | Confident | 83.4 | Confident | 13 Ų | 13 | 28 Ų | 28 | 7% | 0.068 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 122.5 | 171.4 | 179.2 | 61.2 | 0 | 0 | 0 | 108.5 | A92 V96 I796 W797 | A92-L783 HydrophobicContact CB-CB 4.43Å; A92-L783 HydrophobicContact CB-CD1 3.77Å; A92-L783 HydrophobicContact CB-CD2 3.57Å; A92-L783 HydrophobicContact CB-CG 4.12Å; A92-L783 VanDerWaalsContact O-CD2 3.23Å; A92-L783 WeakPolarHBondContact O-CD2 3.36Å; V96-L783 HydrophobicContact CG2-CD2 3.29Å; V96-L783 HydrophobicContact CG2-CG 4.02Å; L783-I796 CarbonylContact O-C 3.47Å; L783-I796 VanDerWaalsContact O-CA 3.3Å; L783-I796 WeakPolarHBondContact O-CA 3.32Å; L783-W797 PolarHBondContact N-O 3.5Å; L783-W797 PolarHBondContact O-N 3.04Å |
| 784 | A | 84.8 | Confident | 82.9 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 150.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | S650 Q651 Y653 Y794 D795 I796 | S650-A784 WeakPolarHBondContact CA-O 3.42Å; Q651-A784 PolarHBondContact N-O 2.82Å; Q651-A784 PolarHBondContact O-N 3.44Å; Y653-A784 HydrophobicContact CD2-CB 4.02Å; Y653-A784 HydrophobicContact CE2-CB 3.58Å; A784-Y794 HydrophobicContact CB-CE2 3.9Å; A784-Y794 WeakPolarHBondContact CB-OH 3.21Å; A784-D795 WeakPolarHBondContact CA-O 3.35Å; A784-I796 HydrophobicContact CB-CG2 3.8Å |
| 785 | G | 80.7 | Confident | 82.4 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.4 | 167.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y649 Y794 D795 | Y649-G785 CarbonylContact O-C 3.57Å; Y649-G785 WeakPolarHBondContact O-CA 3.36Å; G785-Y794 WeakPolarHBondContact O-CA 3.34Å; G785-D795 PolarHBondContact N-O 3.09Å; G785-D795 VanDerWaalsContact N-O 3.1Å; G785-D795 PolarHBondContact O-N 3.49Å; G785-D795 VanDerWaalsContact O-N 3.08Å |
| 786 | V | 79.8 | Confident | 81.9 | Confident | 5 Ų | 5 | 26 Ų | 26 | 3% | 0.03 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 119.8 | 171.8 | 179.5 | 0 | 0 | 0 | 0 | 109.2 | V634 F638 Y649 P792 H793 Y794 | V634-V786 HydrophobicContact CG1-CG2 3.43Å; V634-V786 VanDerWaalsContact CG1-CG2 3.43Å; F638-V786 HydrophobicContact CE2-CB 3.98Å; F638-V786 HydrophobicContact CE2-CG1 3.92Å; F638-V786 HydrophobicContact CE2-CG2 3.79Å; F638-V786 HydrophobicContact CZ-CB 3.92Å; F638-V786 HydrophobicContact CZ-CG1 3.67Å; F638-V786 HydrophobicContact CZ-CG2 4.26Å; Y649-V786 HydrophobicContact CD1-CG2 4.01Å; Y649-V786 HydrophobicContact CG-CG2 4.32Å; Y649-V786 PolarHBondContact O-N 3.41Å; V786-P792 HydrophobicContact CG1-CB 3.33Å; V786-H793 WeakPolarHBondContact CA-O 3.49Å; V786-Y794 HydrophobicContact CG2-CD2 4.09Å |
| 787 | I | 75.9 | Confident | 81.2 | Confident | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 138.5 | 175.3 | -59.1 | -175.8 | 0 | 0 | 0 | 109.6 | F103 I120 H793 W797 | F103-I787 HydrophobicContact CB-CG2 4.14Å; F103-I787 HydrophobicContact CD2-CD1 4.06Å; F103-I787 HydrophobicContact CD2-CG2 3.72Å; F103-I787 HydrophobicContact CE2-CD1 4.03Å; F103-I787 HydrophobicContact CG-CG2 4.37Å; I120-I787 HydrophobicContact CD1-CB 4.5Å; I120-I787 HydrophobicContact CD1-CG2 3.83Å; I787-H793 PolarHBondContact N-O 3.13Å; I787-H793 PolarHBondContact O-N 3.44Å; I787-W797 HydrophobicContact CD1-CH2 3.54Å; I787-W797 HydrophobicContact CD1-CZ2 3.17Å; I787-W797 HydrophobicContact CG1-CH2 3.59Å; I787-W797 HydrophobicContact CG1-CZ2 3.78Å |
| 788 | G | 67.1 | Low | 80.4 | Confident | 6 Ų | 6 | 28.2 Ų | 28.2 | 6% | 0.062 | 16% | 0.163 | C | C | . | . | trans | 96.4 | 106.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | N100 R790 K791 P792 | N100-G788 PolarHBondContact OD1-N 3.17Å; G788-R790 VanDerWaalsContact C-N 3.29Å; G788-R790 PolarHBondContact O-N 3.24Å; G788-K791 CarbonylContact O-C 3.18Å; G788-K791 PolarHBondContact O-N 3.08Å; G788-P792 WeakPolarHBondContact O-CA 3.46Å | ||
| 789 | A | 58.4 | Low | 79.7 | Confident | 95 Ų | 95 | 31.5 Ų | 31.5 | 79% | 0.785 | 18% | 0.18 | S | C | * | . | S | Bend | trans | -60.6 | -34.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 790 | R | 58.5 | Low | 79.5 | Confident | 197 Ų | 197 | 29.8 Ų | 29.8 | 74% | 0.743 | 17% | 0.174 | S | C | * | . | S | Bend | trans | -93.3 | -24.2 | -178.6 | -70.1 | -176.6 | 179.8 | -176.5 | -1.6 | 114.2 | S36 G788 | S36-R790 WeakPolarHBondContact CB-O 3.36Å; S36-R790 PolarHBondContact OG-O 3.22Å; G788-R790 VanDerWaalsContact C-N 3.29Å; G788-R790 PolarHBondContact O-N 3.24Å |
| 791 | K | 70.6 | Confident | 79.4 | Confident | 56 Ų | 56 | 29.6 Ų | 29.6 | 24% | 0.243 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -140.3 | 84.3 | -175.9 | -72.5 | -158.8 | 172.7 | -160.1 | 0 | 107.2 | S36 R117 G788 H793 | S36-K791 WeakPolarHBondContact O-CD 3.39Å; S36-K791 WeakPolarHBondContact O-CE 3.3Å; S36-K791 WeakPolarHBondContact O-CG 3.5Å; R117-K791 PolarHBondContact NH2-O 3.39Å; G788-K791 CarbonylContact O-C 3.18Å; G788-K791 PolarHBondContact O-N 3.08Å; K791-H793 PolarHBondContact O-N 2.91Å |
| 792 | P | 73.9 | Confident | 79.4 | Confident | 11 Ų | 11 | 31.5 Ų | 31.5 | 7% | 0.071 | 17% | 0.171 | C | C | . | . | trans | -67.4 | 124.8 | -174 | 23.4 | -29.2 | 0 | 0 | 0 | 110.3 | L33 F638 V786 G788 | L33-P792 HydrophobicContact CD1-CG 3.42Å; L33-P792 VanDerWaalsContact CD1-CG 3.42Å; F638-P792 HydrophobicContact CZ-CB 4.49Å; V786-P792 HydrophobicContact CG1-CB 3.33Å; G788-P792 WeakPolarHBondContact O-CA 3.46Å | ||
| 793 | H | 77.7 | Confident | 79.6 | Confident | 25 Ų | 25 | 31.8 Ų | 31.8 | 12% | 0.116 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 115.5 | 172.9 | -170 | 71.4 | 0 | 0 | 0 | 109.5 | V786 I787 K791 | V786-H793 WeakPolarHBondContact CA-O 3.49Å; I787-H793 PolarHBondContact N-O 3.13Å; I787-H793 PolarHBondContact O-N 3.44Å; K791-H793 PolarHBondContact O-N 2.91Å |
| 794 | Y | 85 | Confident | 80.1 | Confident | 11 Ų | 11 | 31.1 Ų | 31.1 | 4% | 0.043 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 129.6 | 173.1 | 177.6 | -96.9 | 0 | 0 | 0 | 110.4 | P631 V634 Y649 I708 V721 A784 G785 V786 | P631-Y794 HydrophobicContact CG-CD1 3.52Å; P631-Y794 HydrophobicContact CG-CD2 4.2Å; P631-Y794 HydrophobicContact CG-CE1 3.66Å; P631-Y794 HydrophobicContact CG-CE2 4.3Å; P631-Y794 HydrophobicContact CG-CG 3.79Å; V634-Y794 HydrophobicContact CG2-CD2 3.64Å; V634-Y794 HydrophobicContact CG2-CE2 3.78Å; V634-Y794 HydrophobicContact CG2-CG 4.44Å; Y649-Y794 HydrophobicContact CE1-CE2 4.27Å; I708-Y794 HydrophobicContact CD1-CE1 4Å; V721-Y794 WeakPolarHBondContact CG1-OH 3.28Å; A784-Y794 HydrophobicContact CB-CE2 3.9Å; A784-Y794 WeakPolarHBondContact CB-OH 3.21Å; G785-Y794 WeakPolarHBondContact O-CA 3.34Å; V786-Y794 HydrophobicContact CG2-CD2 4.09Å |
| 795 | D | 85.9 | Confident | 80.4 | Confident | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 169.3 | 178.6 | -164.8 | 19.1 | 0 | 0 | 0 | 111.4 | K709 A784 G785 W797 | K709-D795 WeakPolarHBondContact CE-OD1 3.37Å; K709-D795 IonicContact NZ-OD1 3.49Å; K709-D795 PolarHBondContact NZ-OD1 3.28Å; K709-D795 IonicContact NZ-OD2 2.86Å; K709-D795 PolarHBondContact NZ-OD2 3.08Å; A784-D795 WeakPolarHBondContact CA-O 3.35Å; G785-D795 PolarHBondContact N-O 3.09Å; G785-D795 VanDerWaalsContact N-O 3.1Å; G785-D795 PolarHBondContact O-N 3.49Å; G785-D795 VanDerWaalsContact O-N 3.08Å; D795-W797 HydrophobicContact CB-CH2 3.68Å; D795-W797 HydrophobicContact CB-CZ2 3.5Å; D795-W797 HydrophobicContact CB-CZ3 4.48Å; D795-W797 WeakPolarHBondContact O-CZ3 3.43Å |
| 796 | I | 86.8 | Confident | 80.9 | Confident | 3 Ų | 3 | 38.9 Ų | 38.9 | 2% | 0.015 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 136.7 | 177.2 | 60.5 | 171.7 | 0 | 0 | 0 | 111.3 | V658 I708 M716 A718 V782 L783 A784 V801 | V658-I796 HydrophobicContact CG2-CD1 4.08Å; I708-I796 HydrophobicContact CD1-CD1 4.26Å; I708-I796 HydrophobicContact CD1-CG1 4.48Å; I708-I796 HydrophobicContact CD1-CG2 4.36Å; I708-I796 HydrophobicContact CG1-CD1 4.15Å; I708-I796 HydrophobicContact CG1-CG1 4.42Å; M716-I796 HydrophobicContact CE-CD1 3.77Å; M716-I796 HydrophobicContact CE-CG1 3.53Å; A718-I796 HydrophobicContact CB-CD1 3.83Å; V782-I796 HydrophobicContact CG2-CB 4.47Å; L783-I796 CarbonylContact O-C 3.47Å; L783-I796 VanDerWaalsContact O-CA 3.3Å; L783-I796 WeakPolarHBondContact O-CA 3.32Å; A784-I796 HydrophobicContact CB-CG2 3.8Å; I796-V801 HydrophobicContact CD1-CG2 4.02Å; I796-V801 HydrophobicContact CG1-CG2 3.98Å |
| 797 | W | 83.3 | Confident | 81.6 | Confident | 19 Ų | 19 | 38.7 Ų | 38.7 | 7% | 0.072 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 151.9 | 179.3 | -56.8 | -87.1 | 0 | 0 | 0 | 111.4 | V782 L783 I787 D795 | V782-W797 WeakPolarHBondContact CA-O 3.46Å; V782-W797 WeakPolarHBondContact CB-O 3.47Å; L783-W797 PolarHBondContact N-O 3.5Å; L783-W797 PolarHBondContact O-N 3.04Å; I787-W797 HydrophobicContact CD1-CH2 3.54Å; I787-W797 HydrophobicContact CD1-CZ2 3.17Å; I787-W797 HydrophobicContact CG1-CH2 3.59Å; I787-W797 HydrophobicContact CG1-CZ2 3.78Å; D795-W797 HydrophobicContact CB-CH2 3.68Å; D795-W797 HydrophobicContact CB-CZ2 3.5Å; D795-W797 HydrophobicContact CB-CZ3 4.48Å; D795-W797 WeakPolarHBondContact O-CZ3 3.43Å |
| 798 | G | 79.9 | Confident | 82.5 | Confident | 29 Ų | 29 | 39.2 Ų | 39.2 | 30% | 0.299 | 21% | 0.206 | S | C | . | . | S | Bend | trans | 148.4 | 169.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | T800 V801 N802 | G798-T800 PolarHBondContact O-N 3.49Å; G798-V801 PolarHBondContact O-N 3.01Å; G798-V801 VanDerWaalsContact O-N 3.14Å; G798-N802 PolarHBondContact O-N 3.09Å |
| 799 | N | 81.9 | Confident | 83.7 | Confident | 80 Ų | 80 | 41.2 Ų | 41.2 | 43% | 0.428 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -57.5 | -33.9 | 177.4 | -75.5 | -30.3 | 0 | 0 | 0 | 112.2 | V801 N802 V803 | N799-V801 VanDerWaalsContact C-N 3.35Å; N799-V801 PolarHBondContact O-N 3.29Å; N799-N802 PolarHBondContact O-N 3.07Å; N799-V803 WeakPolarHBondContact O-CG2 3.47Å; N799-V803 PolarHBondContact O-N 2.97Å |
| 800 | T | 90.1 | Very high | 85.3 | Confident | 12 Ų | 12 | 39 Ų | 39 | 7% | 0.074 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.3 | -45.7 | 177.4 | -53 | 0 | 0 | 0 | 0 | 112.1 | V658 N778 G780 G781 V782 G798 V803 A804 | V658-T800 HydrophobicContact CB-CG2 4.48Å; V658-T800 HydrophobicContact CG2-CG2 3.95Å; N778-T800 HydrophobicContact CB-CG2 4.48Å; N778-T800 WeakPolarHBondContact ND2-CA 3.41Å; N778-T800 PolarHBondContact ND2-O 2.91Å; G780-T800 WeakPolarHBondContact CA-OG1 3.3Å; G781-T800 PolarHBondContact N-OG1 2.97Å; G781-T800 PolarHBondContact O-OG1 2.87Å; V782-T800 HydrophobicContact CG1-CG2 4.21Å; G798-T800 PolarHBondContact O-N 3.49Å; T800-V803 PolarHBondContact O-N 2.67Å; T800-A804 PolarHBondContact O-N 2.93Å |
| 801 | V | 89.7 | Confident | 86.8 | Confident | 13 Ų | 13 | 30.1 Ų | 30.1 | 8% | 0.079 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65 | -45.5 | 178.9 | -176.8 | 0 | 0 | 0 | 0 | 110.5 | V658 F660 M716 V782 I796 G798 N799 V803 A804 S805 | V658-V801 HydrophobicContact CG1-CG2 4.45Å; V658-V801 HydrophobicContact CG2-CG2 4.24Å; F660-V801 HydrophobicContact CE2-CG1 3.84Å; F660-V801 HydrophobicContact CZ-CG1 3.8Å; M716-V801 HydrophobicContact CE-CG1 3.82Å; V782-V801 HydrophobicContact CG1-CG2 3.78Å; I796-V801 HydrophobicContact CD1-CG2 4.02Å; I796-V801 HydrophobicContact CG1-CG2 3.98Å; G798-V801 PolarHBondContact O-N 3.01Å; G798-V801 VanDerWaalsContact O-N 3.14Å; N799-V801 VanDerWaalsContact C-N 3.35Å; N799-V801 PolarHBondContact O-N 3.29Å; V801-V803 PolarHBondContact O-N 3.22Å; V801-A804 PolarHBondContact O-N 2.93Å; V801-S805 WeakPolarHBondContact O-CB 3.43Å; V801-S805 PolarHBondContact O-N 2.76Å |
| 802 | N | 87.3 | Confident | 87.9 | Confident | 74 Ų | 74 | 30.7 Ų | 30.7 | 40% | 0.396 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -60.9 | -45 | 178.6 | -70 | -20.1 | 0 | 0 | 0 | 111.7 | G798 N799 S805 R806 | G798-N802 PolarHBondContact O-N 3.09Å; N799-N802 PolarHBondContact O-N 3.07Å; N802-S805 PolarHBondContact O-N 3.16Å; N802-R806 VanDerWaalsContact O-CG 3.25Å; N802-R806 WeakPolarHBondContact O-CG 3.34Å; N802-R806 PolarHBondContact O-N 3.39Å |
| 803 | V | 89.9 | Confident | 88.8 | Confident | 12 Ų | 12 | 33.9 Ų | 33.9 | 7% | 0.073 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65 | -43.2 | 177.4 | 172.9 | 0 | 0 | 0 | 0 | 110.8 | N778 N799 T800 V801 S805 R806 M807 V819 V841 K844 L847 | N778-V803 HydrophobicContact CB-CG1 4.23Å; N778-V803 WeakPolarHBondContact ND2-CB 3.26Å; N799-V803 WeakPolarHBondContact O-CG2 3.47Å; N799-V803 PolarHBondContact O-N 2.97Å; T800-V803 PolarHBondContact O-N 2.67Å; V801-V803 PolarHBondContact O-N 3.22Å; V803-S805 PolarHBondContact O-N 3.4Å; V803-R806 PolarHBondContact O-N 3.42Å; V803-R806 VanDerWaalsContact O-N 3.12Å; V803-M807 HydrophobicContact CG1-CG 4.4Å; V803-M807 WeakPolarHBondContact O-CG 3.34Å; V803-M807 PolarHBondContact O-N 3.39Å; V803-V819 HydrophobicContact CG1-CG1 3.83Å; V803-V841 HydrophobicContact CG2-CG1 4.47Å; V803-K844 HydrophobicContact CG2-CG 4.38Å; V803-L847 HydrophobicContact CG1-CD1 4.28Å |
| 804 | A | 94.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.5 | -45.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V658 F660 N778 T800 V801 R806 M807 E808 | V658-A804 HydrophobicContact CB-CB 4.09Å; V658-A804 HydrophobicContact CG1-CB 3.93Å; F660-A804 HydrophobicContact CD2-CB 3.8Å; F660-A804 HydrophobicContact CE2-CB 4.11Å; N778-A804 HydrophobicContact CB-CB 3.82Å; T800-A804 PolarHBondContact O-N 2.93Å; V801-A804 PolarHBondContact O-N 2.93Å; A804-R806 VanDerWaalsContact C-N 3.28Å; A804-R806 PolarHBondContact O-N 2.85Å; A804-M807 WeakPolarHBondContact O-CB 3.13Å; A804-M807 PolarHBondContact O-N 3.33Å; A804-M807 VanDerWaalsContact O-N 3.15Å; A804-E808 PolarHBondContact O-N 2.02Å |
| 805 | S | 92.1 | Very high | 90 | Very high | 39 Ų | 39 | 34.6 Ų | 34.6 | 27% | 0.273 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -61 | -35.3 | 174.9 | 174.3 | 0 | 0 | 0 | 0 | 112.2 | V801 N802 V803 E808 S809 | V801-S805 WeakPolarHBondContact O-CB 3.43Å; V801-S805 PolarHBondContact O-N 2.76Å; N802-S805 PolarHBondContact O-N 3.16Å; V803-S805 PolarHBondContact O-N 3.4Å; S805-E808 PolarHBondContact O-N 2.88Å; S805-S809 PolarHBondContact O-N 2.77Å; S805-S809 PolarHBondContact O-OG 3.48Å |
| 806 | R | 90.8 | Very high | 90.5 | Very high | 124 Ų | 124 | 34.4 Ų | 34.4 | 47% | 0.468 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -72 | -35.4 | 173.9 | -65.1 | -64.9 | 175.4 | -170 | -4.6 | 113 | N802 V803 A804 E808 S809 T810 V841 | N802-R806 VanDerWaalsContact O-CG 3.25Å; N802-R806 WeakPolarHBondContact O-CG 3.34Å; N802-R806 PolarHBondContact O-N 3.39Å; V803-R806 PolarHBondContact O-N 3.42Å; V803-R806 VanDerWaalsContact O-N 3.12Å; A804-R806 VanDerWaalsContact C-N 3.28Å; A804-R806 PolarHBondContact O-N 2.85Å; R806-E808 VanDerWaalsContact C-N 3.26Å; R806-E808 PolarHBondContact O-N 2.74Å; R806-S809 WeakPolarHBondContact CA-OG 3.01Å; R806-S809 PolarHBondContact O-N 2.9Å; R806-S809 PolarHBondContact O-OG 2.67Å; R806-T810 WeakPolarHBondContact O-CB 3.08Å; R806-T810 WeakPolarHBondContact O-CG2 3.33Å; R806-T810 PolarHBondContact O-N 3.36Å; R806-T810 PolarHBondContact O-OG1 3.36Å; R806-V841 HydrophobicContact CB-CG1 4.3Å; R806-V841 HydrophobicContact CG-CG1 4.27Å |
| 807 | M | 95.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.4 | -33.8 | 173.9 | -67.6 | -54.4 | 95.1 | 0 | 0 | 111.7 | V803 A804 G811 Q817 V819 V841 T849 | V803-M807 HydrophobicContact CG1-CG 4.4Å; V803-M807 WeakPolarHBondContact O-CG 3.34Å; V803-M807 PolarHBondContact O-N 3.39Å; A804-M807 WeakPolarHBondContact O-CB 3.13Å; A804-M807 PolarHBondContact O-N 3.33Å; A804-M807 VanDerWaalsContact O-N 3.15Å; M807-G811 WeakPolarHBondContact O-CA 3.47Å; M807-G811 PolarHBondContact O-N 3.3Å; M807-Q817 HydrophobicContact CB-CG 4.2Å; M807-Q817 PolarHBondContact O-OE1 3.23Å; M807-Q817 HydrophobicContact SD-CG 3.99Å; M807-Q817 PolarHBondContact SD-NE2 3Å; M807-V819 HydrophobicContact CE-CG1 4.41Å; M807-V819 HydrophobicContact CG-CG1 4.03Å; M807-V819 HydrophobicContact SD-CG1 3.68Å; M807-V841 HydrophobicContact CE-CG2 3.68Å; M807-T849 HydrophobicContact CE-CG2 4.25Å; M807-T849 HydrophobicContact SD-CG2 3.64Å |
| 808 | E | 95.2 | Very high | 91.7 | Very high | 14 Ų | 14 | 33.4 Ų | 33.4 | 7% | 0.065 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -70.1 | -57.2 | 171.8 | 178.7 | -77.4 | 138.1 | 0 | 0 | 110.6 | F660 S662 R774 A804 S805 R806 T810 G811 | F660-E808 HydrophobicContact CB-CB 3.69Å; F660-E808 HydrophobicContact CB-CG 3.96Å; S662-E808 WeakPolarHBondContact CB-OE1 3.47Å; S662-E808 PolarHBondContact OG-OE1 3.22Å; R774-E808 WeakPolarHBondContact CD-O 2.94Å; R774-E808 VanDerWaalsContact CG-O 3.26Å; R774-E808 WeakPolarHBondContact CG-O 3.28Å; R774-E808 IonicContact CZ-OE1 3.57Å; R774-E808 PolarHBondContact NE-O 2.98Å; R774-E808 IonicContact NE-OE1 3.82Å; R774-E808 PolarHBondContact NE-OE1 3.41Å; R774-E808 IonicContact NH2-OE1 2.95Å; R774-E808 PolarHBondContact NH2-OE1 2.85Å; A804-E808 PolarHBondContact O-N 2.02Å; S805-E808 PolarHBondContact O-N 2.88Å; R806-E808 VanDerWaalsContact C-N 3.26Å; R806-E808 PolarHBondContact O-N 2.74Å; E808-T810 VanDerWaalsContact C-N 3.35Å; E808-T810 PolarHBondContact O-N 3.43Å; E808-G811 WeakPolarHBondContact O-CA 3.37Å; E808-G811 PolarHBondContact O-N 2.83Å |
| 809 | S | 91.3 | Very high | 92.4 | Very high | 47 Ų | 47 | 32.4 Ų | 32.4 | 33% | 0.329 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -65.3 | -33.7 | -171.7 | 51 | 0 | 0 | 0 | 0 | 114.3 | S805 R806 G811 | S805-S809 PolarHBondContact O-N 2.77Å; S805-S809 PolarHBondContact O-OG 3.48Å; R806-S809 WeakPolarHBondContact CA-OG 3.01Å; R806-S809 PolarHBondContact O-N 2.9Å; R806-S809 PolarHBondContact O-OG 2.67Å; S809-G811 VanDerWaalsContact C-N 3.29Å |
| 810 | T | 92.3 | Very high | 93 | Very high | 48 Ų | 48 | 32.5 Ų | 32.5 | 29% | 0.294 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -2.8 | 173.2 | 65 | 0 | 0 | 0 | 0 | 113 | R806 E808 R836 I839 | R806-T810 WeakPolarHBondContact O-CB 3.08Å; R806-T810 WeakPolarHBondContact O-CG2 3.33Å; R806-T810 PolarHBondContact O-N 3.36Å; R806-T810 PolarHBondContact O-OG1 3.36Å; E808-T810 VanDerWaalsContact C-N 3.35Å; E808-T810 PolarHBondContact O-N 3.43Å; T810-R836 PolarHBondContact O-NH1 3.28Å; T810-R836 PolarHBondContact O-NH2 2.95Å; T810-I839 HydrophobicContact CG2-CG2 4.3Å |
| 811 | G | 90.3 | Very high | 93.1 | Very high | 12 Ų | 12 | 36.6 Ų | 36.6 | 12% | 0.124 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -69.7 | 159.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | R774 M807 E808 S809 Q817 | R774-G811 WeakPolarHBondContact CD-O 3.4Å; M807-G811 WeakPolarHBondContact O-CA 3.47Å; M807-G811 PolarHBondContact O-N 3.3Å; E808-G811 WeakPolarHBondContact O-CA 3.37Å; E808-G811 PolarHBondContact O-N 2.83Å; S809-G811 VanDerWaalsContact C-N 3.29Å; G811-Q817 VanDerWaalsContact CA-OE1 3.23Å |
| 812 | V | 93.4 | Very high | 93.4 | Very high | 67 Ų | 67 | 36 Ų | 36 | 41% | 0.406 | 20% | 0.198 | S | C | . | . | P | Polyproline II helix | trans | -94 | 135.5 | 174.6 | -179.3 | 0 | 0 | 0 | 0 | 108.8 | N815 F851 | V812-N815 WeakPolarHBondContact O-CB 3.36Å; V812-N815 PolarHBondContact O-N 2.95Å; V812-N815 VanDerWaalsContact O-N 3.13Å; V812-F851 HydrophobicContact CB-CE1 4.38Å; V812-F851 HydrophobicContact CB-CZ 4.08Å; V812-F851 HydrophobicContact CG2-CE1 4.37Å; V812-F851 HydrophobicContact CG2-CZ 3.74Å |
| 813 | M | 92.7 | Very high | 93.7 | Very high | 79 Ų | 79 | 34.4 Ų | 34.4 | 39% | 0.389 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | 143.4 | 177.7 | -59.3 | -165.5 | -164.1 | 0 | 0 | 111.3 | P664 M772 N815 | P664-M813 HydrophobicContact CB-CE 3.62Å; P664-M813 HydrophobicContact CB-SD 4.17Å; P664-M813 HydrophobicContact CG-CE 4.28Å; P664-M813 HydrophobicContact CG-CG 4.2Å; P664-M813 HydrophobicContact CG-SD 4.35Å; M772-M813 HydrophobicContact CB-CB 4.21Å; M772-M813 HydrophobicContact CE-CB 4.23Å; M772-M813 HydrophobicContact CE-SD 4.01Å; M772-M813 HydrophobicContact SD-CB 4.32Å; M813-N815 PolarHBondContact O-N 2.81Å; M813-N815 PolarHBondContact O-ND2 3.47Å; M813-N815 VanDerWaalsContact O-ND2 3.14Å |
| 814 | G | 92.5 | Very high | 93.9 | Very high | 22 Ų | 22 | 37.5 Ų | 37.5 | 23% | 0.227 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | -3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | K757 L773 | K757-G814 WeakPolarHBondContact CE-O 3.3Å; K757-G814 PolarHBondContact NZ-O 2.96Å; L773-G814 WeakPolarHBondContact O-CA 3.26Å; L773-G814 PolarHBondContact O-N 3.01Å |
| 815 | N | 95.1 | Very high | 93.8 | Very high | 29 Ų | 29 | 38.9 Ų | 38.9 | 16% | 0.155 | 21% | 0.21 | C | C | . | . | trans | -114.3 | 153 | -177.6 | -65.6 | -84 | 0 | 0 | 0 | 112.7 | I775 V812 M813 F851 K853 | I775-N815 PolarHBondContact N-O 3.46Å; V812-N815 WeakPolarHBondContact O-CB 3.36Å; V812-N815 PolarHBondContact O-N 2.95Å; V812-N815 VanDerWaalsContact O-N 3.13Å; M813-N815 PolarHBondContact O-N 2.81Å; M813-N815 PolarHBondContact O-ND2 3.47Å; M813-N815 VanDerWaalsContact O-ND2 3.14Å; N815-F851 HydrophobicContact CB-CD1 3.73Å; N815-F851 HydrophobicContact CB-CE1 3.95Å; N815-F851 HydrophobicContact CB-CG 4.31Å; N815-K853 PolarHBondContact OD1-NZ 3.33Å | ||
| 816 | I | 97.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 124.6 | 170.9 | -60.4 | 166.1 | 0 | 0 | 0 | 107 | A753 L754 K757 I775 L777 F851 L852 | A753-I816 HydrophobicContact CB-CD1 3.92Å; A753-I816 HydrophobicContact CB-CG1 4.5Å; L754-I816 HydrophobicContact CD2-CD1 3.72Å; L754-I816 HydrophobicContact CG-CD1 4.14Å; K757-I816 HydrophobicContact CD-CD1 3.99Å; K757-I816 HydrophobicContact CD-CG1 4.09Å; I775-I816 HydrophobicContact CB-CB 4.4Å; I775-I816 HydrophobicContact CB-CG1 4.02Å; I775-I816 HydrophobicContact CB-CG2 4.36Å; I775-I816 HydrophobicContact CD1-CG1 4.05Å; I775-I816 HydrophobicContact CG1-CG1 4.43Å; I775-I816 HydrophobicContact CG2-CG1 4.48Å; I775-I816 HydrophobicContact CG2-CG2 4.19Å; I775-I816 CarbonylContact O-C 3.53Å; I775-I816 WeakPolarHBondContact O-CA 3.28Å; L777-I816 HydrophobicContact CD1-CG2 3.54Å; L777-I816 HydrophobicContact CG-CG2 4.29Å; I816-F851 CarbonylContact O-C 3.58Å; I816-F851 VanDerWaalsContact O-CA 3.26Å; I816-F851 WeakPolarHBondContact O-CA 3.45Å; I816-L852 HydrophobicContact CB-CB 4.07Å; I816-L852 HydrophobicContact CB-CD2 4.49Å; I816-L852 HydrophobicContact CD1-CD2 3.84Å; I816-L852 HydrophobicContact CG2-CB 4.01Å; I816-L852 PolarHBondContact O-N 2.92Å |
| 817 | Q | 97.6 | Very high | 94 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 135.2 | -176.2 | 179.9 | 168.9 | -32.3 | 0 | 0 | 112.1 | I775 L777 M807 G811 R836 I839 Y850 F851 | I775-Q817 PolarHBondContact O-N 3.29Å; L777-Q817 PolarHBondContact N-O 3.49Å; M807-Q817 HydrophobicContact CB-CG 4.2Å; M807-Q817 PolarHBondContact O-OE1 3.23Å; M807-Q817 HydrophobicContact SD-CG 3.99Å; M807-Q817 PolarHBondContact SD-NE2 3Å; G811-Q817 VanDerWaalsContact CA-OE1 3.23Å; Q817-R836 VanDerWaalsContact CD-NH1 3.3Å; Q817-I839 VanDerWaalsContact NE2-CD1 3.26Å; Q817-Y850 WeakPolarHBondContact CA-O 3.32Å; Q817-F851 HydrophobicContact CB-CD1 4.32Å; Q817-F851 HydrophobicContact CB-CE1 4.42Å |
| 818 | V | 96.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 156 | 178.2 | -63.1 | 0 | 0 | 0 | 0 | 110.9 | L777 C822 L826 F833 T849 Y850 | L777-V818 HydrophobicContact CB-CG1 3.73Å; L777-V818 HydrophobicContact CD1-CG1 4.12Å; V818-C822 HydrophobicContact CB-CB 3.91Å; V818-C822 HydrophobicContact CG1-CB 4.26Å; V818-L826 HydrophobicContact CG1-CD1 4.39Å; V818-F833 HydrophobicContact CG1-CE1 4.42Å; V818-F833 HydrophobicContact CG2-CD1 3.85Å; V818-F833 HydrophobicContact CG2-CE1 3.57Å; V818-T849 WeakPolarHBondContact O-CA 3.33Å; V818-Y850 PolarHBondContact N-O 2.79Å; V818-Y850 PolarHBondContact O-N 3.43Å |
| 819 | V | 95.3 | Very high | 93.6 | Very high | 8 Ų | 8 | 42.5 Ų | 42.5 | 5% | 0.048 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 163.8 | 165.9 | -63.2 | 0 | 0 | 0 | 0 | 111.4 | N778 V803 M807 D821 C822 Y823 L847 | N778-V819 WeakPolarHBondContact OD1-CG2 3.23Å; V803-V819 HydrophobicContact CG1-CG1 3.83Å; M807-V819 HydrophobicContact CE-CG1 4.41Å; M807-V819 HydrophobicContact CG-CG1 4.03Å; M807-V819 HydrophobicContact SD-CG1 3.68Å; V819-D821 VanDerWaalsContact C-N 3.3Å; V819-D821 HydrophobicContact CG2-CB 4.39Å; V819-D821 PolarHBondContact O-N 3.06Å; V819-C822 HydrophobicContact CG2-CB 4.27Å; V819-C822 WeakPolarHBondContact O-CB 3.08Å; V819-C822 PolarHBondContact O-N 3.37Å; V819-C822 VanDerWaalsContact O-N 3.1Å; V819-Y823 PolarHBondContact O-N 3.33Å; V819-L847 HydrophobicContact CG1-CD1 4.27Å |
| 820 | E | 94.3 | Very high | 93.6 | Very high | 81 Ų | 81 | 41.1 Ų | 41.1 | 38% | 0.379 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -51.9 | -42.8 | 178.8 | -174.4 | 168.3 | -148.8 | 0 | 0 | 113.7 | C822 Y823 N824 L848 Y850 | E820-C822 VanDerWaalsContact C-N 3.29Å; E820-C822 PolarHBondContact O-N 3.39Å; E820-Y823 WeakPolarHBondContact O-CB 3.29Å; E820-Y823 PolarHBondContact O-N 3.42Å; E820-Y823 VanDerWaalsContact O-N 3.11Å; E820-N824 PolarHBondContact O-N 2.99Å; E820-N824 PolarHBondContact O-ND2 3.02Å; E820-L848 HydrophobicContact CB-CB 4.36Å; E820-L848 PolarHBondContact N-O 3.35Å; E820-L848 VanDerWaalsContact N-O 3.07Å; E820-Y850 HydrophobicContact CB-CE2 4.03Å; E820-Y850 HydrophobicContact CG-CE2 4.22Å |
| 821 | D | 92.3 | Very high | 93.8 | Very high | 99 Ų | 99 | 39.1 Ų | 39.1 | 53% | 0.529 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61.4 | -37.4 | 179.3 | -67.3 | -22.4 | 0 | 0 | 0 | 112.7 | K779 V819 | K779-D821 VanDerWaalsContact CE-C 3.45Å; K779-D821 WeakPolarHBondContact CE-O 3.48Å; V819-D821 VanDerWaalsContact C-N 3.3Å; V819-D821 HydrophobicContact CG2-CB 4.39Å; V819-D821 PolarHBondContact O-N 3.06Å |
| 822 | C | 94.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -72.8 | -38.5 | 174.9 | -77.1 | 0 | 0 | 0 | 0 | 111.7 | N778 K779 V818 V819 E820 N824 I825 L826 | N778-C822 VanDerWaalsContact C-SG 3.51Å; N778-C822 VanDerWaalsContact CA-SG 3.52Å; K779-C822 PolarHBondContact N-SG 3.07Å; V818-C822 HydrophobicContact CB-CB 3.91Å; V818-C822 HydrophobicContact CG1-CB 4.26Å; V819-C822 HydrophobicContact CG2-CB 4.27Å; V819-C822 WeakPolarHBondContact O-CB 3.08Å; V819-C822 PolarHBondContact O-N 3.37Å; V819-C822 VanDerWaalsContact O-N 3.1Å; E820-C822 VanDerWaalsContact C-N 3.29Å; E820-C822 PolarHBondContact O-N 3.39Å; C822-N824 VanDerWaalsContact C-N 3.35Å; C822-N824 PolarHBondContact O-N 3.09Å; C822-I825 PolarHBondContact O-N 3.21Å; C822-L826 WeakPolarHBondContact O-CB 3.32Å; C822-L826 WeakPolarHBondContact O-CG 3.19Å; C822-L826 PolarHBondContact O-N 3.12Å |
| 823 | Y | 95 | Very high | 94.1 | Very high | 41 Ų | 41 | 42.4 Ų | 42.4 | 16% | 0.161 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.2 | -47.8 | 175.9 | 159.6 | -101 | 0 | 0 | 0 | 111.4 | V819 E820 I825 L826 K827 F833 Y850 | V819-Y823 PolarHBondContact O-N 3.33Å; E820-Y823 WeakPolarHBondContact O-CB 3.29Å; E820-Y823 PolarHBondContact O-N 3.42Å; E820-Y823 VanDerWaalsContact O-N 3.11Å; Y823-I825 VanDerWaalsContact C-N 3.28Å; Y823-I825 PolarHBondContact O-N 3.03Å; Y823-L826 PolarHBondContact O-N 3.17Å; Y823-K827 HydrophobicContact CE1-CD 4.43Å; Y823-K827 HydrophobicContact CE2-CB 4.42Å; Y823-K827 HydrophobicContact CE2-CD 4.24Å; Y823-K827 VanDerWaalsContact O-CB 3.26Å; Y823-K827 WeakPolarHBondContact O-CB 3.46Å; Y823-K827 PolarHBondContact O-N 2.95Å; Y823-K827 WeakPolarHBondContact OH-CD 3.45Å; Y823-K827 PolarHBondContact OH-NZ 3.02Å; Y823-F833 HydrophobicContact CD2-CB 3.74Å; Y823-F833 HydrophobicContact CD2-CD1 4Å; Y823-F833 AromaticContact CD2-CD2 3.45Å; Y823-F833 HydrophobicContact CD2-CD2 3.45Å; Y823-F833 VanDerWaalsContact CD2-CD2 3.45Å; Y823-F833 HydrophobicContact CD2-CE1 4.48Å; Y823-F833 AromaticContact CD2-CE2 3.99Å; Y823-F833 HydrophobicContact CD2-CE2 3.99Å; Y823-F833 AromaticContact CD2-CG 3.46Å; Y823-F833 HydrophobicContact CD2-CG 3.46Å; Y823-F833 VanDerWaalsContact CD2-CG 3.46Å; Y823-F833 HydrophobicContact CD2-CZ 4.49Å; Y823-F833 HydrophobicContact CE2-CB 3.8Å; Y823-F833 AromaticContact CE2-CD2 3.7Å; Y823-F833 HydrophobicContact CE2-CD2 3.7Å; Y823-F833 AromaticContact CE2-CG 3.89Å; Y823-F833 HydrophobicContact CE2-CG 3.89Å; Y823-Y850 HydrophobicContact CD1-CE1 4.23Å; Y823-Y850 HydrophobicContact CD1-CE2 4.14Å; Y823-Y850 AromaticContact CD1-CZ 3.98Å; Y823-Y850 HydrophobicContact CD2-CD1 4.04Å; Y823-Y850 HydrophobicContact CD2-CE1 4.33Å; Y823-Y850 HydrophobicContact CD2-CG 4.2Å; Y823-Y850 HydrophobicContact CE1-CE1 4.26Å; Y823-Y850 HydrophobicContact CE2-CD1 4.3Å; Y823-Y850 HydrophobicContact CE2-CE1 4.35Å; Y823-Y850 HydrophobicContact CG-CD1 4.21Å; Y823-Y850 HydrophobicContact CG-CD2 4.08Å; Y823-Y850 HydrophobicContact CG-CE1 4.26Å; Y823-Y850 HydrophobicContact CG-CE2 4.18Å; Y823-Y850 HydrophobicContact CG-CG 4.12Å |
| 824 | N | 93.6 | Very high | 94.2 | Very high | 77 Ų | 77 | 42.1 Ų | 42.1 | 41% | 0.412 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -58.2 | -41.6 | -177.5 | -71 | -28 | 0 | 0 | 0 | 112 | E820 C822 | E820-N824 PolarHBondContact O-N 2.99Å; E820-N824 PolarHBondContact O-ND2 3.02Å; C822-N824 VanDerWaalsContact C-N 3.35Å; C822-N824 PolarHBondContact O-N 3.09Å |
| 825 | I | 92.8 | Very high | 94.4 | Very high | 28 Ų | 28 | 49 Ų | 49 | 14% | 0.144 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -71.8 | -55.5 | 177.2 | -62 | -167.1 | 0 | 0 | 0 | 111 | W743 L746 K779 C822 Y823 K827 E828 Y829 | W743-I825 HydrophobicContact CB-CD1 4.41Å; W743-I825 HydrophobicContact CB-CG2 3.71Å; W743-I825 HydrophobicContact CD2-CD1 3.73Å; W743-I825 HydrophobicContact CE3-CD1 4.43Å; W743-I825 HydrophobicContact CG-CD1 3.7Å; W743-I825 HydrophobicContact CG-CG2 4.09Å; W743-I825 HydrophobicContact CZ2-CD1 4.49Å; L746-I825 HydrophobicContact CD2-CB 4.43Å; L746-I825 HydrophobicContact CD2-CG2 4.14Å; K779-I825 HydrophobicContact CD-CD1 3.43Å; K779-I825 VanDerWaalsContact CD-CD1 3.43Å; K779-I825 HydrophobicContact CD-CG1 4.3Å; C822-I825 PolarHBondContact O-N 3.21Å; Y823-I825 VanDerWaalsContact C-N 3.28Å; Y823-I825 PolarHBondContact O-N 3.03Å; I825-K827 PolarHBondContact O-N 2.86Å; I825-E828 WeakPolarHBondContact O-CB 3.36Å; I825-E828 PolarHBondContact O-N 3.27Å; I825-Y829 HydrophobicContact CG2-CD2 4.38Å; I825-Y829 HydrophobicContact CG2-CE2 3.71Å; I825-Y829 VanDerWaalsContact O-CD2 3.25Å; I825-Y829 WeakPolarHBondContact O-CD2 3.49Å |
| 826 | L | 94 | Very high | 94.3 | Very high | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.2 | -27.7 | -172.9 | -70.8 | 174.4 | 0 | 0 | 0 | 112.7 | L746 A747 A750 V818 C822 Y823 E828 Y829 F831 F833 L852 | L746-L826 HydrophobicContact CD2-CG 4.47Å; L746-L826 HydrophobicContact CG-CD2 4.13Å; A747-L826 HydrophobicContact CB-CD2 4.39Å; A750-L826 HydrophobicContact CB-CD1 4.16Å; A750-L826 HydrophobicContact CB-CD2 3.98Å; V818-L826 HydrophobicContact CG1-CD1 4.39Å; C822-L826 WeakPolarHBondContact O-CB 3.32Å; C822-L826 WeakPolarHBondContact O-CG 3.19Å; C822-L826 PolarHBondContact O-N 3.12Å; Y823-L826 PolarHBondContact O-N 3.17Å; L826-E828 PolarHBondContact O-N 2.71Å; L826-Y829 PolarHBondContact O-N 3.45Å; L826-Y829 VanDerWaalsContact O-N 3.07Å; L826-F831 HydrophobicContact CB-CB 4.31Å; L826-F831 HydrophobicContact CB-CD2 3.98Å; L826-F831 HydrophobicContact CB-CG 4.44Å; L826-F831 HydrophobicContact CD2-CD2 3.94Å; L826-F831 HydrophobicContact CD2-CE2 3.94Å; L826-F831 VanDerWaalsContact O-CD2 3.31Å; L826-F831 WeakPolarHBondContact O-CD2 3.47Å; L826-F831 PolarHBondContact O-N 3.21Å; L826-F833 HydrophobicContact CB-CE2 4Å; L826-F833 HydrophobicContact CB-CZ 3.53Å; L826-F833 HydrophobicContact CD1-CZ 4.03Å; L826-F833 HydrophobicContact CG-CZ 4.45Å; L826-L852 HydrophobicContact CD1-CD1 4.09Å |
| 827 | K | 92.8 | Very high | 94.1 | Very high | 119 Ų | 119 | 52.3 Ų | 52.3 | 52% | 0.517 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -56.9 | -36.9 | 173.8 | -174.3 | -174.3 | -176.3 | 177.6 | 0 | 112.2 | Y823 I825 Y829 G830 | Y823-K827 HydrophobicContact CE1-CD 4.43Å; Y823-K827 HydrophobicContact CE2-CB 4.42Å; Y823-K827 HydrophobicContact CE2-CD 4.24Å; Y823-K827 VanDerWaalsContact O-CB 3.26Å; Y823-K827 WeakPolarHBondContact O-CB 3.46Å; Y823-K827 PolarHBondContact O-N 2.95Å; Y823-K827 WeakPolarHBondContact OH-CD 3.45Å; Y823-K827 PolarHBondContact OH-NZ 3.02Å; I825-K827 PolarHBondContact O-N 2.86Å; K827-Y829 PolarHBondContact O-N 3.4Å; K827-G830 PolarHBondContact O-N 3.24Å; K827-G830 VanDerWaalsContact O-N 3.14Å |
| 828 | E | 90.9 | Very high | 93.8 | Very high | 129 Ų | 129 | 56.2 Ų | 56.2 | 60% | 0.603 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -68.7 | -21.6 | 179.2 | -59.9 | -174.3 | 174.5 | 0 | 0 | 113.1 | I825 L826 G830 | I825-E828 WeakPolarHBondContact O-CB 3.36Å; I825-E828 PolarHBondContact O-N 3.27Å; L826-E828 PolarHBondContact O-N 2.71Å; E828-G830 VanDerWaalsContact C-N 3.3Å |
| 829 | Y | 90.9 | Very high | 93.6 | Very high | 3 Ų | 3 | 57.3 Ų | 57.3 | 1% | 0.012 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 4.4 | 175.7 | -63.6 | -98.7 | 0 | 0 | 0 | 113.3 | R740 W743 Q744 A747 I825 L826 K827 R855 | R740-Y829 VanDerWaalsContact C-OH 3.25Å; R740-Y829 VanDerWaalsContact CA-OH 3.31Å; R740-Y829 WeakPolarHBondContact CA-OH 3.33Å; R740-Y829 HydrophobicContact CG-CE1 3.85Å; R740-Y829 HydrophobicContact CG-CE2 4.45Å; R740-Y829 PolarHBondContact O-OH 3.06Å; W743-Y829 WeakPolarHBondContact CB-OH 3.45Å; W743-Y829 PolarHBondContact O-OH 3.15Å; Q744-Y829 PolarHBondContact N-OH 3.01Å; A747-Y829 HydrophobicContact CB-CD1 3.61Å; A747-Y829 HydrophobicContact CB-CD2 4.36Å; A747-Y829 HydrophobicContact CB-CE1 3.95Å; A747-Y829 HydrophobicContact CB-CG 3.82Å; I825-Y829 HydrophobicContact CG2-CD2 4.38Å; I825-Y829 HydrophobicContact CG2-CE2 3.71Å; I825-Y829 VanDerWaalsContact O-CD2 3.25Å; I825-Y829 WeakPolarHBondContact O-CD2 3.49Å; L826-Y829 PolarHBondContact O-N 3.45Å; L826-Y829 VanDerWaalsContact O-N 3.07Å; K827-Y829 PolarHBondContact O-N 3.4Å; Y829-R855 PolarHBondContact O-NE 3.27Å; Y829-R855 PolarHBondContact O-NH2 3.03Å |
| 830 | G | 91.9 | Very high | 93.3 | Very high | 18 Ų | 18 | 63.8 Ų | 63.8 | 19% | 0.186 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.3 | 22.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | K827 E828 R855 D856 | K827-G830 PolarHBondContact O-N 3.24Å; K827-G830 VanDerWaalsContact O-N 3.14Å; E828-G830 VanDerWaalsContact C-N 3.3Å; G830-R855 CarbonylContact O-C 3.11Å; G830-R855 WeakPolarHBondContact O-CA 3.38Å; G830-R855 VanDerWaalsContact O-CG 3.24Å; G830-R855 WeakPolarHBondContact O-CG 3.29Å; G830-D856 PolarHBondContact O-N 3.38Å |
| 831 | F | 95 | Very high | 92.7 | Very high | 6 Ų | 6 | 60.2 Ų | 60.2 | 3% | 0.026 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 140.5 | 173.1 | -69.1 | -81.4 | 0 | 0 | 0 | 111.7 | A747 A750 D751 L754 L826 F833 L852 G854 R855 | A747-F831 HydrophobicContact CB-CE2 4.02Å; A750-F831 HydrophobicContact CB-CE1 4.03Å; A750-F831 HydrophobicContact CB-CE2 4.28Å; A750-F831 HydrophobicContact CB-CZ 3.84Å; D751-F831 WeakPolarHBondContact OD1-CE1 3.4Å; D751-F831 WeakPolarHBondContact OD1-CZ 3.24Å; L754-F831 HydrophobicContact CD1-CD1 4.42Å; L754-F831 HydrophobicContact CD1-CE1 4.01Å; L826-F831 HydrophobicContact CB-CB 4.31Å; L826-F831 HydrophobicContact CB-CD2 3.98Å; L826-F831 HydrophobicContact CB-CG 4.44Å; L826-F831 HydrophobicContact CD2-CD2 3.94Å; L826-F831 HydrophobicContact CD2-CE2 3.94Å; L826-F831 VanDerWaalsContact O-CD2 3.31Å; L826-F831 WeakPolarHBondContact O-CD2 3.47Å; L826-F831 PolarHBondContact O-N 3.21Å; F831-F833 HydrophobicContact CB-CD2 4.41Å; F831-F833 HydrophobicContact CB-CE2 3.48Å; F831-F833 VanDerWaalsContact CB-CE2 3.48Å; F831-F833 HydrophobicContact CB-CZ 3.77Å; F831-F833 VanDerWaalsContact O-CD2 3.31Å; F831-F833 WeakPolarHBondContact O-CD2 3.5Å; F831-F833 WeakPolarHBondContact O-CE2 3.46Å; F831-L852 HydrophobicContact CB-CD1 4.25Å; F831-L852 HydrophobicContact CD1-CD1 3.95Å; F831-L852 HydrophobicContact CD1-CD2 4.45Å; F831-L852 HydrophobicContact CD1-CG 4.45Å; F831-L852 HydrophobicContact CG-CD1 4.19Å; F831-G854 CarbonylContact C-O 3.57Å; F831-G854 WeakPolarHBondContact CA-O 3.26Å; F831-R855 HydrophobicContact CD1-CG 4.45Å |
| 832 | R | 94.3 | Very high | 91.7 | Very high | 112 Ų | 112 | 63.4 Ų | 63.4 | 42% | 0.423 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 138.5 | 177.6 | -70.6 | -170.3 | -73.6 | 166.5 | 5.8 | 111.6 | K853 G854 D856 | R832-K853 PolarHBondContact O-N 3.4Å; R832-G854 PolarHBondContact N-O 3.08Å; R832-D856 WeakPolarHBondContact CD-OD1 3.2Å; R832-D856 WeakPolarHBondContact CG-OD1 3.33Å; R832-D856 IonicContact NE-OD1 2.85Å |
| 833 | F | 95.9 | Very high | 90.4 | Very high | 36 Ų | 36 | 67 Ų | 67 | 16% | 0.158 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 153 | -176.8 | -62.3 | -93.2 | 0 | 0 | 0 | 112.7 | V818 Y823 L826 F831 Y850 F851 L852 | V818-F833 HydrophobicContact CG1-CE1 4.42Å; V818-F833 HydrophobicContact CG2-CD1 3.85Å; V818-F833 HydrophobicContact CG2-CE1 3.57Å; Y823-F833 HydrophobicContact CD2-CB 3.74Å; Y823-F833 HydrophobicContact CD2-CD1 4Å; Y823-F833 AromaticContact CD2-CD2 3.45Å; Y823-F833 HydrophobicContact CD2-CD2 3.45Å; Y823-F833 VanDerWaalsContact CD2-CD2 3.45Å; Y823-F833 HydrophobicContact CD2-CE1 4.48Å; Y823-F833 AromaticContact CD2-CE2 3.99Å; Y823-F833 HydrophobicContact CD2-CE2 3.99Å; Y823-F833 AromaticContact CD2-CG 3.46Å; Y823-F833 HydrophobicContact CD2-CG 3.46Å; Y823-F833 VanDerWaalsContact CD2-CG 3.46Å; Y823-F833 HydrophobicContact CD2-CZ 4.49Å; Y823-F833 HydrophobicContact CE2-CB 3.8Å; Y823-F833 AromaticContact CE2-CD2 3.7Å; Y823-F833 HydrophobicContact CE2-CD2 3.7Å; Y823-F833 AromaticContact CE2-CG 3.89Å; Y823-F833 HydrophobicContact CE2-CG 3.89Å; L826-F833 HydrophobicContact CB-CE2 4Å; L826-F833 HydrophobicContact CB-CZ 3.53Å; L826-F833 HydrophobicContact CD1-CZ 4.03Å; L826-F833 HydrophobicContact CG-CZ 4.45Å; F831-F833 HydrophobicContact CB-CD2 4.41Å; F831-F833 HydrophobicContact CB-CE2 3.48Å; F831-F833 VanDerWaalsContact CB-CE2 3.48Å; F831-F833 HydrophobicContact CB-CZ 3.77Å; F831-F833 VanDerWaalsContact O-CD2 3.31Å; F831-F833 WeakPolarHBondContact O-CD2 3.5Å; F831-F833 WeakPolarHBondContact O-CE2 3.46Å; F833-Y850 HydrophobicContact CB-CD1 4.43Å; F833-F851 CarbonylContact C-O 3.59Å; F833-F851 WeakPolarHBondContact CA-O 3.28Å; F833-L852 HydrophobicContact CD1-CB 3.89Å; F833-L852 HydrophobicContact CD1-CG 4.4Å; F833-L852 HydrophobicContact CE1-CB 3.59Å; F833-L852 HydrophobicContact CE1-CD1 3.64Å; F833-L852 HydrophobicContact CE1-CG 3.83Å; F833-L852 HydrophobicContact CZ-CB 4.4Å; F833-L852 HydrophobicContact CZ-CD1 3.67Å; F833-L852 HydrophobicContact CZ-CG 4.15Å |
| 834 | V | 96.1 | Very high | 89.5 | Confident | 74 Ų | 74 | 70.8 Ų | 70.8 | 45% | 0.448 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 126.6 | 168.5 | 177.7 | 0 | 0 | 0 | 0 | 108.1 | R836 Y850 F851 K853 | V834-R836 PolarHBondContact O-N 3.35Å; V834-Y850 CarbonylContact O-C 3.58Å; V834-Y850 WeakPolarHBondContact O-CA 3.41Å; V834-F851 PolarHBondContact N-O 3.45Å; V834-F851 PolarHBondContact O-N 3.31Å; V834-K853 HydrophobicContact CG2-CD 4.49Å; V834-K853 HydrophobicContact CG2-CG 3.81Å |
| 835 | R | 95.8 | Very high | 89.1 | Confident | 166 Ų | 166 | 68.4 Ų | 68.4 | 63% | 0.626 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 126.7 | 177 | -176.1 | 179.9 | 176.5 | 175 | 5.8 | 109.5 | Y850 | R835-Y850 HydrophobicContact CB-CD1 3.99Å; R835-Y850 HydrophobicContact CB-CE1 3.9Å; R835-Y850 HydrophobicContact CG-CD1 4.4Å; R835-Y850 HydrophobicContact CG-CE1 4.05Å |
| 836 | R | 93.4 | Very high | 89 | Confident | 87 Ų | 87 | 74 Ų | 74 | 33% | 0.328 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | -47 | 176.4 | -179.6 | -173.2 | 176.5 | 176.9 | -4.3 | 111.2 | T810 Q817 V834 I839 T849 F851 | T810-R836 PolarHBondContact O-NH1 3.28Å; T810-R836 PolarHBondContact O-NH2 2.95Å; Q817-R836 VanDerWaalsContact CD-NH1 3.3Å; V834-R836 PolarHBondContact O-N 3.35Å; R836-I839 VanDerWaalsContact NH1-CD1 3.27Å; R836-T849 WeakPolarHBondContact CB-O 3.04Å; R836-T849 PolarHBondContact N-O 3.01Å; R836-F851 HydrophobicContact CB-CD2 4.03Å; R836-F851 HydrophobicContact CB-CE2 3.82Å; R836-F851 HydrophobicContact CB-CZ 4.16Å; R836-F851 HydrophobicContact CG-CD2 4.34Å; R836-F851 HydrophobicContact CG-CE1 4.39Å; R836-F851 HydrophobicContact CG-CE2 3.61Å; R836-F851 HydrophobicContact CG-CZ 3.66Å |
| 837 | G | 92.7 | Very high | 88.9 | Confident | 12 Ų | 12 | 76 Ų | 76 | 12% | 0.124 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 130.3 | -180 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | T849 | G837-T849 PolarHBondContact N-O 3.32Å; G837-T849 PolarHBondContact O-N 3.35Å; G837-T849 PolarHBondContact O-OG1 2.84Å |
| 838 | P | 92.4 | Very high | 89 | Confident | 83 Ų | 83 | 71.9 Ų | 71.9 | 54% | 0.539 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 139.4 | 175.4 | 29.9 | -32.7 | 0 | 0 | 0 | 110.9 | E846 L847 | P838-E846 HydrophobicContact CB-CB 4.31Å; P838-L847 CarbonylContact C-O 3.56Å; P838-L847 WeakPolarHBondContact CA-O 3.41Å |
| 839 | I | 92.6 | Very high | 89.2 | Confident | 22 Ų | 22 | 65.7 Ų | 65.7 | 11% | 0.113 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 134.2 | 172 | -63.2 | -179.6 | 0 | 0 | 0 | 108.6 | T810 Q817 R836 V841 L847 T849 | T810-I839 HydrophobicContact CG2-CG2 4.3Å; Q817-I839 VanDerWaalsContact NE2-CD1 3.26Å; R836-I839 VanDerWaalsContact NH1-CD1 3.27Å; I839-V841 PolarHBondContact O-N 3.47Å; I839-L847 PolarHBondContact N-O 3.42Å; I839-L847 PolarHBondContact O-N 3.37Å; I839-T849 HydrophobicContact CB-CG2 4.28Å; I839-T849 HydrophobicContact CD1-CG2 4.01Å; I839-T849 WeakPolarHBondContact CD1-OG1 3.03Å; I839-T849 HydrophobicContact CG1-CG2 4.22Å |
| 840 | F | 87.4 | Confident | 89.5 | Confident | 145 Ų | 145 | 66.7 Ų | 66.7 | 64% | 0.636 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 121.6 | 174.8 | -173.9 | -98 | 0 | 0 | 0 | 111.2 | E846 | F840-E846 HydrophobicContact CD2-CG 4.44Å |
| 841 | V | 82.1 | Confident | 89.8 | Confident | 6 Ų | 6 | 67.1 Ų | 67.1 | 4% | 0.036 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 120.6 | 174.7 | -179.8 | 0 | 0 | 0 | 0 | 108.9 | V803 R806 M807 I839 G843 K844 G845 L847 | V803-V841 HydrophobicContact CG2-CG1 4.47Å; R806-V841 HydrophobicContact CB-CG1 4.3Å; R806-V841 HydrophobicContact CG-CG1 4.27Å; M807-V841 HydrophobicContact CE-CG2 3.68Å; I839-V841 PolarHBondContact O-N 3.47Å; V841-G843 PolarHBondContact O-N 3.16Å; V841-K844 HydrophobicContact CB-CB 4.3Å; V841-K844 HydrophobicContact CG1-CB 4.35Å; V841-K844 PolarHBondContact O-N 3.4Å; V841-G845 PolarHBondContact N-O 2.9Å; V841-G845 PolarHBondContact O-N 2.9Å; V841-L847 HydrophobicContact CB-CD1 4.07Å; V841-L847 HydrophobicContact CB-CG 4.47Å; V841-L847 HydrophobicContact CG1-CD1 4.49Å; V841-L847 HydrophobicContact CG2-CD1 3.88Å; V841-L847 HydrophobicContact CG2-CG 4.32Å |
| 842 | K | 71.3 | Confident | 89.8 | Confident | 165 Ų | 165 | 67 Ų | 67 | 72% | 0.717 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | 124.1 | 179.2 | -172.1 | -179.4 | 179.8 | -175.9 | 0 | 110.4 | K844 | K842-K844 VanDerWaalsContact C-N 3.33Å; K842-K844 PolarHBondContact O-N 3.06Å |
| 843 | G | 68.1 | Low | 89.7 | Confident | 75 Ų | 75 | 65.7 Ų | 65.7 | 77% | 0.773 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.2 | -9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | V841 | V841-G843 PolarHBondContact O-N 3.16Š|
| 844 | K | 76.5 | Confident | 89.4 | Confident | 122 Ų | 122 | 64.4 Ų | 64.4 | 53% | 0.53 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.5 | -17.3 | 174.9 | -72.8 | -69.8 | -173.8 | 174.8 | 0 | 113.9 | V803 V841 K842 L847 | V803-K844 HydrophobicContact CG2-CG 4.38Å; V841-K844 HydrophobicContact CB-CB 4.3Å; V841-K844 HydrophobicContact CG1-CB 4.35Å; V841-K844 PolarHBondContact O-N 3.4Å; K842-K844 VanDerWaalsContact C-N 3.33Å; K842-K844 PolarHBondContact O-N 3.06Å; K844-L847 HydrophobicContact CB-CD1 4.12Å; K844-L847 HydrophobicContact CB-CD2 4.34Å; K844-L847 HydrophobicContact CB-CG 4.27Å |
| 845 | G | 85.3 | Confident | 89 | Confident | 26 Ų | 26 | 65 Ų | 65 | 27% | 0.268 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 82.5 | -149.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111 | V841 | V841-G845 PolarHBondContact N-O 2.9Å; V841-G845 PolarHBondContact O-N 2.9Å |
| 846 | E | 89.6 | Confident | 87.9 | Confident | 147 Ų | 147 | 61.4 Ų | 61.4 | 69% | 0.687 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 124.3 | 177.6 | -65 | -173.2 | 168 | 0 | 0 | 111 | P838 F840 | P838-E846 HydrophobicContact CB-CB 4.31Å; F840-E846 HydrophobicContact CD2-CG 4.44Å |
| 847 | L | 91.3 | Very high | 85.9 | Confident | 44 Ų | 44 | 66.1 Ų | 66.1 | 23% | 0.23 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 136 | 174.4 | -65.4 | -179.3 | 0 | 0 | 0 | 110 | V803 V819 P838 I839 V841 K844 | V803-L847 HydrophobicContact CG1-CD1 4.28Å; V819-L847 HydrophobicContact CG1-CD1 4.27Å; P838-L847 CarbonylContact C-O 3.56Å; P838-L847 WeakPolarHBondContact CA-O 3.41Å; I839-L847 PolarHBondContact N-O 3.42Å; I839-L847 PolarHBondContact O-N 3.37Å; V841-L847 HydrophobicContact CB-CD1 4.07Å; V841-L847 HydrophobicContact CB-CG 4.47Å; V841-L847 HydrophobicContact CG1-CD1 4.49Å; V841-L847 HydrophobicContact CG2-CD1 3.88Å; V841-L847 HydrophobicContact CG2-CG 4.32Å; K844-L847 HydrophobicContact CB-CD1 4.12Å; K844-L847 HydrophobicContact CB-CD2 4.34Å; K844-L847 HydrophobicContact CB-CG 4.27Å |
| 848 | L | 94.6 | Very high | 83.5 | Confident | 31 Ų | 31 | 70.9 Ų | 70.9 | 16% | 0.162 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 130.5 | 173.8 | -171.8 | 62.9 | 0 | 0 | 0 | 110.4 | E820 Y850 | E820-L848 HydrophobicContact CB-CB 4.36Å; E820-L848 PolarHBondContact N-O 3.35Å; E820-L848 VanDerWaalsContact N-O 3.07Å; L848-Y850 HydrophobicContact CD2-CE2 4.07Å; L848-Y850 VanDerWaalsContact CD2-OH 3.28Å; L848-Y850 WeakPolarHBondContact CD2-OH 3.36Å; L848-Y850 HydrophobicContact CG-CE2 3.91Å |
| 849 | T | 96.3 | Very high | 80.8 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 153.5 | -172.8 | 62.3 | 0 | 0 | 0 | 0 | 113.2 | M807 V818 R836 G837 I839 | M807-T849 HydrophobicContact CE-CG2 4.25Å; M807-T849 HydrophobicContact SD-CG2 3.64Å; V818-T849 WeakPolarHBondContact O-CA 3.33Å; R836-T849 WeakPolarHBondContact CB-O 3.04Å; R836-T849 PolarHBondContact N-O 3.01Å; G837-T849 PolarHBondContact N-O 3.32Å; G837-T849 PolarHBondContact O-N 3.35Å; G837-T849 PolarHBondContact O-OG1 2.84Å; I839-T849 HydrophobicContact CB-CG2 4.28Å; I839-T849 HydrophobicContact CD1-CG2 4.01Å; I839-T849 WeakPolarHBondContact CD1-OG1 3.03Å; I839-T849 HydrophobicContact CG1-CG2 4.22Å |
| 850 | Y | 97.2 | Very high | 78.1 | Confident | 24 Ų | 24 | 74.2 Ų | 74.2 | 9% | 0.094 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 150.7 | -176.9 | -60.1 | -102.7 | 0 | 0 | 0 | 110.7 | Q817 V818 E820 Y823 F833 V834 R835 L848 | Q817-Y850 WeakPolarHBondContact CA-O 3.32Å; V818-Y850 PolarHBondContact N-O 2.79Å; V818-Y850 PolarHBondContact O-N 3.43Å; E820-Y850 HydrophobicContact CB-CE2 4.03Å; E820-Y850 HydrophobicContact CG-CE2 4.22Å; Y823-Y850 HydrophobicContact CD1-CE1 4.23Å; Y823-Y850 HydrophobicContact CD1-CE2 4.14Å; Y823-Y850 AromaticContact CD1-CZ 3.98Å; Y823-Y850 HydrophobicContact CD2-CD1 4.04Å; Y823-Y850 HydrophobicContact CD2-CE1 4.33Å; Y823-Y850 HydrophobicContact CD2-CG 4.2Å; Y823-Y850 HydrophobicContact CE1-CE1 4.26Å; Y823-Y850 HydrophobicContact CE2-CD1 4.3Å; Y823-Y850 HydrophobicContact CE2-CE1 4.35Å; Y823-Y850 HydrophobicContact CG-CD1 4.21Å; Y823-Y850 HydrophobicContact CG-CD2 4.08Å; Y823-Y850 HydrophobicContact CG-CE1 4.26Å; Y823-Y850 HydrophobicContact CG-CE2 4.18Å; Y823-Y850 HydrophobicContact CG-CG 4.12Å; F833-Y850 HydrophobicContact CB-CD1 4.43Å; V834-Y850 CarbonylContact O-C 3.58Å; V834-Y850 WeakPolarHBondContact O-CA 3.41Å; R835-Y850 HydrophobicContact CB-CD1 3.99Å; R835-Y850 HydrophobicContact CB-CE1 3.9Å; R835-Y850 HydrophobicContact CG-CD1 4.4Å; R835-Y850 HydrophobicContact CG-CE1 4.05Å; L848-Y850 HydrophobicContact CD2-CE2 4.07Å; L848-Y850 VanDerWaalsContact CD2-OH 3.28Å; L848-Y850 WeakPolarHBondContact CD2-OH 3.36Å; L848-Y850 HydrophobicContact CG-CE2 3.91Å |
| 851 | F | 97.2 | Very high | 75.5 | Confident | 26 Ų | 26 | 75.5 Ų | 75.5 | 11% | 0.114 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 123.2 | 168.9 | -65.9 | -51.4 | 0 | 0 | 0 | 110.7 | V812 N815 I816 Q817 F833 V834 R836 | V812-F851 HydrophobicContact CB-CE1 4.38Å; V812-F851 HydrophobicContact CB-CZ 4.08Å; V812-F851 HydrophobicContact CG2-CE1 4.37Å; V812-F851 HydrophobicContact CG2-CZ 3.74Å; N815-F851 HydrophobicContact CB-CD1 3.73Å; N815-F851 HydrophobicContact CB-CE1 3.95Å; N815-F851 HydrophobicContact CB-CG 4.31Å; I816-F851 CarbonylContact O-C 3.58Å; I816-F851 VanDerWaalsContact O-CA 3.26Å; I816-F851 WeakPolarHBondContact O-CA 3.45Å; Q817-F851 HydrophobicContact CB-CD1 4.32Å; Q817-F851 HydrophobicContact CB-CE1 4.42Å; F833-F851 CarbonylContact C-O 3.59Å; F833-F851 WeakPolarHBondContact CA-O 3.28Å; V834-F851 PolarHBondContact N-O 3.45Å; V834-F851 PolarHBondContact O-N 3.31Å; R836-F851 HydrophobicContact CB-CD2 4.03Å; R836-F851 HydrophobicContact CB-CE2 3.82Å; R836-F851 HydrophobicContact CB-CZ 4.16Å; R836-F851 HydrophobicContact CG-CD2 4.34Å; R836-F851 HydrophobicContact CG-CE1 4.39Å; R836-F851 HydrophobicContact CG-CE2 3.61Å; R836-F851 HydrophobicContact CG-CZ 3.66Å |
| 852 | L | 96 | Very high | 73.5 | Confident | 3 Ų | 3 | 82.9 Ų | 82.9 | 2% | 0.016 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 125 | 171.6 | -174.9 | 148.9 | 0 | 0 | 0 | 109.4 | A750 L754 I816 L826 F831 F833 | A750-L852 HydrophobicContact CB-CD1 4.11Å; L754-L852 HydrophobicContact CD1-CD2 4.12Å; L754-L852 HydrophobicContact CD2-CD2 3.78Å; L754-L852 HydrophobicContact CG-CD2 4Å; I816-L852 HydrophobicContact CB-CB 4.07Å; I816-L852 HydrophobicContact CB-CD2 4.49Å; I816-L852 HydrophobicContact CD1-CD2 3.84Å; I816-L852 HydrophobicContact CG2-CB 4.01Å; I816-L852 PolarHBondContact O-N 2.92Å; L826-L852 HydrophobicContact CD1-CD1 4.09Å; F831-L852 HydrophobicContact CB-CD1 4.25Å; F831-L852 HydrophobicContact CD1-CD1 3.95Å; F831-L852 HydrophobicContact CD1-CD2 4.45Å; F831-L852 HydrophobicContact CD1-CG 4.45Å; F831-L852 HydrophobicContact CG-CD1 4.19Å; F833-L852 HydrophobicContact CD1-CB 3.89Å; F833-L852 HydrophobicContact CD1-CG 4.4Å; F833-L852 HydrophobicContact CE1-CB 3.59Å; F833-L852 HydrophobicContact CE1-CD1 3.64Å; F833-L852 HydrophobicContact CE1-CG 3.83Å; F833-L852 HydrophobicContact CZ-CB 4.4Å; F833-L852 HydrophobicContact CZ-CD1 3.67Å; F833-L852 HydrophobicContact CZ-CG 4.15Å |
| 853 | K | 91.9 | Very high | 71.6 | Confident | 86 Ų | 86 | 83 Ų | 83 | 37% | 0.374 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | -20.8 | -175.1 | -65 | -59.7 | -174.5 | 177.9 | 0 | 114.2 | N815 R832 V834 | N815-K853 PolarHBondContact OD1-NZ 3.33Å; R832-K853 PolarHBondContact O-N 3.4Å; V834-K853 HydrophobicContact CG2-CD 4.49Å; V834-K853 HydrophobicContact CG2-CG 3.81Å |
| 854 | G | 90.3 | Very high | 69.9 | Low | 9 Ų | 9 | 82.5 Ų | 82.5 | 9% | 0.093 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 148.9 | -162.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | F831 R832 | F831-G854 CarbonylContact C-O 3.57Å; F831-G854 WeakPolarHBondContact CA-O 3.26Å; R832-G854 PolarHBondContact N-O 3.08Å |
| 855 | R | 86.2 | Confident | 67.7 | Low | 86 Ų | 86 | 82.3 Ų | 82.3 | 33% | 0.325 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 151.3 | 178.4 | -148.3 | 169.6 | -172.4 | 155.3 | -2.8 | 111.1 | D751 Y829 G830 F831 | D751-R855 IonicContact OD1-NH1 2.72Å; D751-R855 PolarHBondContact OD1-NH1 3.24Å; D751-R855 IonicContact OD2-CZ 3.32Å; D751-R855 IonicContact OD2-NH1 3.83Å; D751-R855 PolarHBondContact OD2-NH1 2.98Å; Y829-R855 PolarHBondContact O-NE 3.27Å; Y829-R855 PolarHBondContact O-NH2 3.03Å; G830-R855 CarbonylContact O-C 3.11Å; G830-R855 WeakPolarHBondContact O-CA 3.38Å; G830-R855 VanDerWaalsContact O-CG 3.24Å; G830-R855 WeakPolarHBondContact O-CG 3.29Å; F831-R855 HydrophobicContact CD1-CG 4.45Å |
| 856 | D | 73.6 | Confident | 65.2 | Low | 91 Ų | 91 | 85.8 Ų | 85.8 | 49% | 0.487 | 48% | 0.476 | S | S | . | . | trans | -68.9 | 138.1 | 165.3 | -76.8 | -37.1 | 0 | 0 | 0 | 109.1 | G830 R832 Q858 | G830-D856 PolarHBondContact O-N 3.38Å; R832-D856 WeakPolarHBondContact CD-OD1 3.2Å; R832-D856 WeakPolarHBondContact CG-OD1 3.33Å; R832-D856 IonicContact NE-OD1 2.85Å; D856-Q858 PolarHBondContact O-N 2.78Å | ||
| 857 | K | 52.4 | Low | 62.6 | Low | 186 Ų | 186 | 83.5 Ų | 83.5 | 81% | 0.809 | 47% | 0.472 | S | S | * | . | trans | -61.4 | 98.8 | 178 | -75.7 | -174.8 | 176.6 | -178.8 | 0 | 109 | ||||
| 858 | Q | 41 | Very low | 59.7 | Low | 112 Ų | 112 | 86 Ų | 86 | 52% | 0.523 | 49% | 0.489 | S | S | . | . | trans | -73.6 | 122.9 | 157.9 | -81 | 178.6 | -3.9 | 0 | 0 | 107.5 | D856 S860 | D856-Q858 PolarHBondContact O-N 2.78Å; Q858-S860 PolarHBondContact O-N 2.86Å | ||
| 859 | G | 36.8 | Very low | 56.7 | Low | 64 Ų | 64 | 88 Ų | 88 | 66% | 0.66 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -54.4 | 134.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 860 | S | 34.9 | Very low | 53.6 | Low | 110 Ų | 110 | 92 Ų | 92 | 77% | 0.769 | 53% | 0.526 | S | S | * | . | trans | 52.1 | 95.1 | 165.3 | 57.9 | 0 | 0 | 0 | 0 | 117.4 | Q858 | Q858-S860 PolarHBondContact O-N 2.86Š| ||
| 861 | F | 32.7 | Very low | 50.6 | Low | 173 Ų | 173 | 99.4 Ų | 99.4 | 76% | 0.759 | 56% | 0.561 | S | S | * | * | trans | -112.4 | 129.4 | 141.3 | -75.3 | -81.6 | 0 | 0 | 0 | 108.4 | N863 | F861-N863 PolarHBondContact O-N 3.17Š| ||
| 862 | I | 40.4 | Very low | 47.6 | Very low | 161 Ų | 161 | 105.8 Ų | 105.8 | 83% | 0.826 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | 122.1 | -173.8 | -64.2 | 164.7 | 0 | 0 | 0 | 108.5 | ||
| 863 | N | 32.3 | Very low | 44.4 | Very low | 167 Ų | 167 | 111.5 Ų | 111.5 | 89% | 0.893 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.4 | 54.6 | 171.5 | -65.5 | -6.5 | 0 | 0 | 0 | 118.7 | F861 | F861-N863 PolarHBondContact O-N 3.17Š|
| 864 | G | 31.3 | Very low | 41.4 | Very low | 64 Ų | 64 | 113.1 Ų | 113.1 | 66% | 0.66 | 64% | 0.642 | S | S | * | * | trans | -139.2 | 125.5 | 159.1 | 0 | 0 | 0 | 0 | 0 | 111 | S866 | G864-S866 PolarHBondContact O-N 3.16Š| ||
| 865 | S | 30.2 | Very low | 38.6 | Very low | 118 Ų | 118 | 119.6 Ų | 119.6 | 83% | 0.825 | 68% | 0.675 | S | S | * | * | trans | -58.1 | 117.9 | 175.3 | 38.4 | 0 | 0 | 0 | 0 | 109.8 | V867 | S865-V867 PolarHBondContact O-N 3.17Š| ||
| 866 | S | 32.7 | Very low | 35.9 | Very low | 99 Ų | 99 | 124.3 Ų | 124.3 | 69% | 0.692 | 72% | 0.721 | S | S | * | * | trans | -62.6 | 122.5 | 178.8 | 54 | 0 | 0 | 0 | 0 | 111.2 | G864 T868 | G864-S866 PolarHBondContact O-N 3.16Å; S866-T868 PolarHBondContact O-N 2.82Å | ||
| 867 | V | 35.8 | Very low | 34 | Very low | 100 Ų | 100 | 126 Ų | 126 | 61% | 0.606 | 73% | 0.733 | S | S | * | * | trans | -82.3 | 101.1 | 174.3 | 176.7 | 0 | 0 | 0 | 0 | 109 | V758 S865 | V758-V867 HydrophobicContact CG2-CB 4.37Å; V758-V867 HydrophobicContact CG2-CG1 3.37Å; V758-V867 HydrophobicContact CG2-CG2 4.06Å; S865-V867 PolarHBondContact O-N 3.17Å | ||
| 868 | T | 30.4 | Very low | 33 | Very low | 96 Ų | 96 | 122.8 Ų | 122.8 | 59% | 0.589 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -102.1 | 117.2 | 160.2 | 38.4 | 0 | 0 | 0 | 0 | 108.6 | S866 P870 | S866-T868 PolarHBondContact O-N 2.82Å; T868-P870 WeakPolarHBondContact O-CD 3.48Å |
| 869 | L | 31.4 | Very low | 32.6 | Very low | 73 Ų | 73 | 123.4 Ų | 123.4 | 38% | 0.382 | 74% | 0.74 | S | S | . | * | P | Polyproline II helix | trans | -67.2 | 123.6 | 169.4 | -68.5 | 163.9 | 0 | 0 | 0 | 108.9 | M761 | M761-L869 HydrophobicContact CE-CD2 4.28Å; M761-L869 HydrophobicContact SD-CD2 3.63Å |
| 870 | P | 31.2 | Very low | 32.4 | Very low | 84 Ų | 84 | 126.9 Ų | 126.9 | 55% | 0.545 | 75% | 0.745 | S | S | . | * | S | Bend | trans | -80.3 | 152.8 | 165.7 | 31.4 | -26.1 | 0 | 0 | 0 | 109.6 | T868 | T868-P870 WeakPolarHBondContact O-CD 3.48Š|
| 871 | H | 33.5 | Very low | 32.2 | Very low | 180 Ų | 180 | 128 Ų | 128 | 83% | 0.833 | 74% | 0.744 | S | S | * | * | trans | 88.3 | 60.7 | -169.9 | -44.6 | -58.2 | 0 | 0 | 0 | 115.2 | ||||
| 872 | Q | 33.9 | Very low | 32.2 | Very low | 160 Ų | 160 | 125 Ų | 125 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | trans | -91.8 | 113.3 | 137.8 | -76.3 | -175.1 | -38.7 | 0 | 0 | 107.2 | V874 | Q872-V874 PolarHBondContact O-N 2.85Š| ||
| 873 | V | 29.3 | Very low | 31.6 | Very low | 122 Ų | 122 | 122.4 Ų | 122.4 | 74% | 0.739 | 74% | 0.737 | S | S | * | * | trans | -62.3 | 117.1 | 149.6 | 176.1 | 0 | 0 | 0 | 0 | 104.7 | D875 | V873-D875 PolarHBondContact O-N 3.26Å; V873-D875 VanDerWaalsContact O-N 3.15Å | ||
| 874 | V | 29.3 | Very low | 31.5 | Very low | 120 Ų | 120 | 119 Ų | 119 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | trans | -74.5 | 96.7 | 171.4 | -179.9 | 0 | 0 | 0 | 0 | 105.5 | Q872 S876 | Q872-V874 PolarHBondContact O-N 2.85Å; V874-S876 PolarHBondContact O-N 3.11Å | ||
| 875 | D | 31.3 | Very low | 31.5 | Very low | 146 Ų | 146 | 123.6 Ų | 123.6 | 78% | 0.781 | 73% | 0.73 | S | S | * | * | trans | -71.9 | 122 | 162.7 | -75.6 | -24.9 | 0 | 0 | 0 | 107.3 | V873 | V873-D875 PolarHBondContact O-N 3.26Å; V873-D875 VanDerWaalsContact O-N 3.15Å | ||
| 876 | S | 29.4 | Very low | 31.7 | Very low | 185 Ų | 185 | 124.1 Ų | 124.1 | 100% | 1.294 | 72% | 0.722 | S | S | * | * | trans | -72.9 | 0 | 175.4 | -53.6 | 0 | 0 | 0 | 0 | 111.7 | V874 | V874-S876 PolarHBondContact O-N 3.11Š|
Retrieved 876 of 876 residues in 604.3 ms
(Link to these results)