| 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 | 67.8 | Low | 86.6 | Confident | 97 Ų | 97 | 33.1 Ų | 33.1 | 48% | 0.478 | 19% | 0.19 | S | C | . | . | 0 | -55.3 | 0 | -71.4 | -60.3 | -86.4 | 0 | 0 | 111.5 | L3 Y4 V5 C85 W89 | M1-L3 PolarHBondContact O-N 2.68Å; M1-L3 VanDerWaalsContact O-N 3.15Å; M1-Y4 PolarHBondContact O-N 2.96Å; M1-Y4 VanDerWaalsContact O-N 3.15Å; M1-V5 PolarHBondContact O-N 2.85Å; M1-C85 HydrophobicContact SD-CB 3.57Å; M1-C85 VanDerWaalsContact SD-CB 3.57Å; M1-W89 HydrophobicContact CE-CD2 3.79Å; M1-W89 HydrophobicContact CE-CE3 3.2Å; M1-W89 HydrophobicContact CE-CG 4.49Å; M1-W89 HydrophobicContact CE-CH2 4.15Å; M1-W89 HydrophobicContact CE-CZ3 3.41Å; M1-W89 VanDerWaalsContact CE-CZ3 3.41Å; M1-W89 HydrophobicContact SD-CE3 4.13Å; M1-W89 HydrophobicContact SD-CZ3 4.44Å | |||
| 2 | A | 83.4 | Confident | 86.7 | Confident | 62 Ų | 62 | 34.9 Ų | 34.9 | 51% | 0.512 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -47.8 | -43.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y4 V5 T6 F30 | A2-Y4 PolarHBondContact O-N 2.88Å; A2-V5 PolarHBondContact O-N 2.85Å; A2-T6 WeakPolarHBondContact O-CB 3.37Å; A2-T6 PolarHBondContact O-N 2.96Å; A2-T6 PolarHBondContact O-OG1 3.2Å; A2-F30 HydrophobicContact CB-CE2 4.01Å |
| 3 | L | 87.9 | Confident | 86.4 | Confident | 16 Ų | 16 | 39.2 Ų | 39.2 | 8% | 0.084 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -50.2 | -49.8 | 178.4 | -178.6 | 69.1 | 0 | 0 | 0 | 114.1 | M1 A7 F30 Q35 L36 L39 | M1-L3 PolarHBondContact O-N 2.68Å; M1-L3 VanDerWaalsContact O-N 3.15Å; L3-A7 VanDerWaalsContact O-CB 3.24Å; L3-A7 WeakPolarHBondContact O-CB 3.33Å; L3-A7 PolarHBondContact O-N 3.28Å; L3-F30 HydrophobicContact CB-CE1 4.42Å; L3-F30 HydrophobicContact CB-CZ 3.85Å; L3-F30 HydrophobicContact CD1-CD1 4.32Å; L3-F30 HydrophobicContact CD1-CE1 3.57Å; L3-F30 HydrophobicContact CD1-CZ 3.86Å; L3-F30 HydrophobicContact CG-CZ 4.49Å; L3-Q35 HydrophobicContact CD1-CG 4.31Å; L3-Q35 HydrophobicContact CD2-CG 4.03Å; L3-L36 HydrophobicContact CD1-CB 3.97Å; L3-L36 HydrophobicContact CD1-CD1 4.03Å; L3-L39 HydrophobicContact CD1-CD2 4.44Å; L3-L39 HydrophobicContact CD2-CD2 4.04Å; L3-L39 HydrophobicContact CG-CD2 3.89Å |
| 4 | Y | 89.9 | Confident | 85.6 | Confident | 3 Ų | 3 | 37.9 Ų | 37.9 | 1% | 0.012 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -73.7 | -35.6 | -175 | -64.1 | -87 | 0 | 0 | 0 | 112.2 | M1 A2 A8 L39 V72 L73 D76 L83 K84 C85 | M1-Y4 PolarHBondContact O-N 2.96Å; M1-Y4 VanDerWaalsContact O-N 3.15Å; A2-Y4 PolarHBondContact O-N 2.88Å; Y4-A8 VanDerWaalsContact O-CB 3.3Å; Y4-A8 WeakPolarHBondContact O-CB 3.38Å; Y4-A8 PolarHBondContact O-N 3.18Å; Y4-L39 HydrophobicContact CD1-CD2 4.23Å; Y4-L39 HydrophobicContact CE1-CD2 4.26Å; Y4-V72 HydrophobicContact CD1-CG1 3.67Å; Y4-V72 HydrophobicContact CE1-CG1 4.4Å; Y4-L73 HydrophobicContact CD1-CD2 3.72Å; Y4-L73 HydrophobicContact CD1-CG 4.48Å; Y4-L73 HydrophobicContact CE1-CD2 4.2Å; Y4-L73 HydrophobicContact CG-CD2 3.95Å; Y4-D76 HydrophobicContact CE1-CB 4.03Å; Y4-D76 WeakPolarHBondContact CE1-OD2 3.47Å; Y4-D76 PolarHBondContact OH-OD2 3.39Å; Y4-L83 HydrophobicContact CE1-CD2 4.3Å; Y4-K84 WeakPolarHBondContact OH-CB 3.39Å; Y4-K84 PolarHBondContact OH-N 2.74Å; Y4-C85 HydrophobicContact CD2-CB 3.74Å; Y4-C85 HydrophobicContact CE2-CB 3.54Å |
| 5 | V | 90.1 | Very high | 85.1 | Confident | 48 Ų | 48 | 41.5 Ų | 41.5 | 29% | 0.291 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -68.1 | -48.5 | 176.9 | 179.2 | 0 | 0 | 0 | 0 | 109.8 | M1 A2 A7 A8 E9 W89 | M1-V5 PolarHBondContact O-N 2.85Å; A2-V5 PolarHBondContact O-N 2.85Å; V5-A7 VanDerWaalsContact C-N 3.33Å; V5-A7 PolarHBondContact O-N 2.96Å; V5-A8 WeakPolarHBondContact O-CB 3.27Å; V5-A8 PolarHBondContact O-N 3.48Å; V5-A8 VanDerWaalsContact O-N 3.16Å; V5-E9 WeakPolarHBondContact O-CG 3.49Å; V5-E9 PolarHBondContact O-N 3.24Å; V5-W89 HydrophobicContact CG2-CH2 3.87Å; V5-W89 HydrophobicContact CG2-CZ3 3.71Å |
| 6 | T | 89.7 | Confident | 84.6 | Confident | 25 Ų | 25 | 48.8 Ų | 48.8 | 15% | 0.153 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.7 | -40.9 | 176.3 | -53.6 | 0 | 0 | 0 | 0 | 111.6 | A2 A8 E9 I10 F30 L36 | A2-T6 WeakPolarHBondContact O-CB 3.37Å; A2-T6 PolarHBondContact O-N 2.96Å; A2-T6 PolarHBondContact O-OG1 3.2Å; T6-A8 PolarHBondContact O-N 2.95Å; T6-E9 PolarHBondContact O-N 2.95Å; T6-I10 HydrophobicContact CG2-CD1 3.98Å; T6-I10 WeakPolarHBondContact O-CD1 3.44Å; T6-I10 VanDerWaalsContact O-CG1 3.28Å; T6-I10 WeakPolarHBondContact O-CG1 3.46Å; T6-I10 PolarHBondContact O-N 2.62Å; T6-F30 HydrophobicContact CG2-CD2 4.23Å; T6-L36 HydrophobicContact CG2-CD1 4.39Å; T6-L36 HydrophobicContact CG2-CD2 3.89Å |
| 7 | A | 89.3 | Confident | 83.7 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.8 | -43.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L3 V5 I10 L11 L36 L39 V40 V72 | L3-A7 VanDerWaalsContact O-CB 3.24Å; L3-A7 WeakPolarHBondContact O-CB 3.33Å; L3-A7 PolarHBondContact O-N 3.28Å; V5-A7 VanDerWaalsContact C-N 3.33Å; V5-A7 PolarHBondContact O-N 2.96Å; A7-I10 PolarHBondContact O-N 3.33Å; A7-L11 WeakPolarHBondContact O-CG 3.46Å; A7-L11 PolarHBondContact O-N 2.91Å; A7-L36 HydrophobicContact CB-CD1 3.75Å; A7-L39 HydrophobicContact CB-CD2 4.06Å; A7-L39 HydrophobicContact CB-CG 4.44Å; A7-V40 HydrophobicContact CB-CG2 3.6Å; A7-V72 HydrophobicContact CB-CG1 3.92Å; A7-V72 HydrophobicContact CB-CG2 4.05Å |
| 8 | A | 91.3 | Very high | 82.8 | Confident | 8 Ų | 8 | 57.3 Ų | 57.3 | 7% | 0.066 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.2 | -42.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y4 V5 T6 I10 L11 E12 P68 L69 V72 | Y4-A8 VanDerWaalsContact O-CB 3.3Å; Y4-A8 WeakPolarHBondContact O-CB 3.38Å; Y4-A8 PolarHBondContact O-N 3.18Å; V5-A8 WeakPolarHBondContact O-CB 3.27Å; V5-A8 PolarHBondContact O-N 3.48Å; V5-A8 VanDerWaalsContact O-N 3.16Å; T6-A8 PolarHBondContact O-N 2.95Å; A8-I10 VanDerWaalsContact C-N 3.34Å; A8-I10 PolarHBondContact O-N 3.15Å; A8-L11 PolarHBondContact O-N 3.15Å; A8-E12 WeakPolarHBondContact O-CB 3.48Å; A8-E12 PolarHBondContact O-N 3.11Å; A8-P68 HydrophobicContact CB-CB 4.09Å; A8-P68 WeakPolarHBondContact O-CB 3.49Å; A8-L69 HydrophobicContact CB-CB 3.96Å; A8-L69 HydrophobicContact CB-CD1 4.14Å; A8-V72 HydrophobicContact CB-CG2 4.38Å |
| 9 | E | 90.9 | Very high | 81.9 | Confident | 94 Ų | 94 | 56.2 Ų | 56.2 | 44% | 0.439 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.4 | -40.7 | 175.1 | -72.9 | 172.9 | -171.9 | 0 | 0 | 112 | V5 T6 E12 K13 | V5-E9 WeakPolarHBondContact O-CG 3.49Å; V5-E9 PolarHBondContact O-N 3.24Å; T6-E9 PolarHBondContact O-N 2.95Å; E9-E12 PolarHBondContact O-N 2.8Å; E9-K13 WeakPolarHBondContact O-CB 3.44Å; E9-K13 VanDerWaalsContact O-CG 3.27Å; E9-K13 WeakPolarHBondContact O-CG 3.13Å; E9-K13 PolarHBondContact O-N 2.96Å |
| 10 | I | 87.7 | Confident | 81.2 | Confident | 4 Ų | 4 | 56.5 Ų | 56.5 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.1 | -43.8 | 177.6 | -70.9 | 162.3 | 0 | 0 | 0 | 110.9 | T6 A7 A8 E12 K13 A14 L21 L24 V25 L36 V40 | T6-I10 HydrophobicContact CG2-CD1 3.98Å; T6-I10 WeakPolarHBondContact O-CD1 3.44Å; T6-I10 VanDerWaalsContact O-CG1 3.28Å; T6-I10 WeakPolarHBondContact O-CG1 3.46Å; T6-I10 PolarHBondContact O-N 2.62Å; A7-I10 PolarHBondContact O-N 3.33Å; A8-I10 VanDerWaalsContact C-N 3.34Å; A8-I10 PolarHBondContact O-N 3.15Å; I10-E12 VanDerWaalsContact C-N 3.32Å; I10-E12 PolarHBondContact O-N 3.33Å; I10-K13 PolarHBondContact O-N 2.83Å; I10-A14 WeakPolarHBondContact O-CB 3.34Å; I10-A14 PolarHBondContact O-N 2.85Å; I10-L21 HydrophobicContact CG2-CD1 4.2Å; I10-L24 HydrophobicContact CG2-CB 3.93Å; I10-V25 HydrophobicContact CD1-CB 4.49Å; I10-V25 HydrophobicContact CD1-CG2 4.06Å; I10-V25 HydrophobicContact CG2-CG2 3.87Å; I10-L36 HydrophobicContact CD1-CD1 4.17Å; I10-L36 HydrophobicContact CD1-CD2 3.71Å; I10-L36 HydrophobicContact CD1-CG 4.11Å; I10-V40 HydrophobicContact CB-CG2 4.45Å; I10-V40 HydrophobicContact CG2-CG1 3.79Å; I10-V40 HydrophobicContact CG2-CG2 4.38Å |
| 11 | L | 84.8 | Confident | 80.7 | Confident | 7 Ų | 7 | 55 Ų | 55 | 4% | 0.037 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.4 | -42.6 | 175.3 | -73.6 | 172 | 0 | 0 | 0 | 111.2 | A7 A8 K13 A14 E15 L21 V40 T43 Q44 V72 | A7-L11 WeakPolarHBondContact O-CG 3.46Å; A7-L11 PolarHBondContact O-N 2.91Å; A8-L11 PolarHBondContact O-N 3.15Å; L11-K13 PolarHBondContact O-N 3.3Å; L11-A14 PolarHBondContact O-N 3.2Å; L11-E15 WeakPolarHBondContact O-CB 3.44Å; L11-E15 WeakPolarHBondContact O-CG 3.38Å; L11-E15 PolarHBondContact O-N 2.86Å; L11-L21 HydrophobicContact CD2-CD1 4.35Å; L11-V40 HydrophobicContact CD2-CG1 3.93Å; L11-V40 HydrophobicContact CG-CG1 4.21Å; L11-T43 HydrophobicContact CD1-CG2 3.58Å; L11-Q44 HydrophobicContact CD2-CB 3.97Å; L11-V72 HydrophobicContact CD1-CG2 3.43Å; L11-V72 VanDerWaalsContact CD1-CG2 3.43Å |
| 12 | E | 87.8 | Confident | 80.9 | Confident | 55 Ų | 55 | 55.5 Ų | 55.5 | 26% | 0.257 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.5 | -43.4 | 176.4 | -176.6 | 171.2 | -159.6 | 0 | 0 | 111.9 | A8 E9 I10 A14 E15 R16 P68 | A8-E12 WeakPolarHBondContact O-CB 3.48Å; A8-E12 PolarHBondContact O-N 3.11Å; E9-E12 PolarHBondContact O-N 2.8Å; I10-E12 VanDerWaalsContact C-N 3.32Å; I10-E12 PolarHBondContact O-N 3.33Å; E12-A14 VanDerWaalsContact C-N 3.31Å; E12-A14 PolarHBondContact O-N 3.06Å; E12-E15 PolarHBondContact O-N 2.68Å; E12-R16 WeakPolarHBondContact O-CB 3.41Å; E12-R16 VanDerWaalsContact O-CG 3.24Å; E12-R16 WeakPolarHBondContact O-CG 3.32Å; E12-R16 PolarHBondContact O-N 3.12Å; E12-R16 IonicContact OE1-CZ 2.58Å; E12-R16 IonicContact OE1-NE 2.88Å; E12-R16 PolarHBondContact OE1-NE 2.93Å; E12-R16 IonicContact OE1-NH2 2.65Å; E12-R16 PolarHBondContact OE1-NH2 3.44Å; E12-P68 HydrophobicContact CB-CB 4.37Å; E12-P68 HydrophobicContact CB-CG 4.01Å; E12-P68 HydrophobicContact CG-CG 4.44Å |
| 13 | K | 82.1 | Confident | 80.3 | Confident | 90 Ų | 90 | 56.1 Ų | 56.1 | 39% | 0.391 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.2 | -38.2 | 174.5 | -72.3 | 177.5 | -179.3 | 175.7 | 0 | 112.1 | E9 I10 L11 R16 K17 Q18 L24 | E9-K13 WeakPolarHBondContact O-CB 3.44Å; E9-K13 VanDerWaalsContact O-CG 3.27Å; E9-K13 WeakPolarHBondContact O-CG 3.13Å; E9-K13 PolarHBondContact O-N 2.96Å; I10-K13 PolarHBondContact O-N 2.83Å; L11-K13 PolarHBondContact O-N 3.3Å; K13-R16 CarbonylContact O-C 3.59Å; K13-R16 PolarHBondContact O-N 2.67Å; K13-K17 PolarHBondContact O-N 3.27Å; K13-Q18 HydrophobicContact CB-CB 4.35Å; K13-Q18 WeakPolarHBondContact O-CB 3.15Å; K13-Q18 PolarHBondContact O-N 3.01Å; K13-L24 HydrophobicContact CB-CD1 3.85Å; K13-L24 HydrophobicContact CB-CD2 4.18Å; K13-L24 HydrophobicContact CD-CD2 4.32Å |
| 14 | A | 76.5 | Confident | 79.9 | Confident | 22 Ų | 22 | 56.3 Ų | 56.3 | 18% | 0.182 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68.1 | -43.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | I10 L11 E12 R16 K17 L21 L24 | I10-A14 WeakPolarHBondContact O-CB 3.34Å; I10-A14 PolarHBondContact O-N 2.85Å; L11-A14 PolarHBondContact O-N 3.2Å; E12-A14 VanDerWaalsContact C-N 3.31Å; E12-A14 PolarHBondContact O-N 3.06Å; A14-R16 VanDerWaalsContact C-N 3.29Å; A14-R16 PolarHBondContact O-N 3.23Å; A14-K17 PolarHBondContact O-N 2.74Å; A14-L21 HydrophobicContact CB-CD1 3.63Å; A14-L24 HydrophobicContact CB-CD1 3.98Å |
| 15 | E | 76.9 | Confident | 79.4 | Confident | 92 Ų | 92 | 56.2 Ų | 56.2 | 43% | 0.43 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61 | -37.9 | 173.6 | -74.4 | 177.8 | 167.1 | 0 | 0 | 111 | L11 E12 K17 K71 | L11-E15 WeakPolarHBondContact O-CB 3.44Å; L11-E15 WeakPolarHBondContact O-CG 3.38Å; L11-E15 PolarHBondContact O-N 2.86Å; E12-E15 PolarHBondContact O-N 2.68Å; E15-K17 PolarHBondContact O-N 3.22Å; E15-K71 IonicContact OE1-NZ 3.54Å; E15-K71 PolarHBondContact OE1-NZ 3.47Å |
| 16 | R | 76.9 | Confident | 78.8 | Confident | 157 Ų | 157 | 59.7 Ų | 59.7 | 59% | 0.592 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | 8.1 | 174.4 | -66.8 | 175 | -174.2 | -142.5 | 6.7 | 114.6 | E12 K13 A14 Q18 | E12-R16 WeakPolarHBondContact O-CB 3.41Å; E12-R16 VanDerWaalsContact O-CG 3.24Å; E12-R16 WeakPolarHBondContact O-CG 3.32Å; E12-R16 PolarHBondContact O-N 3.12Å; E12-R16 IonicContact OE1-CZ 2.58Å; E12-R16 IonicContact OE1-NE 2.88Å; E12-R16 PolarHBondContact OE1-NE 2.93Å; E12-R16 IonicContact OE1-NH2 2.65Å; E12-R16 PolarHBondContact OE1-NH2 3.44Å; K13-R16 CarbonylContact O-C 3.59Å; K13-R16 PolarHBondContact O-N 2.67Å; A14-R16 VanDerWaalsContact C-N 3.29Å; A14-R16 PolarHBondContact O-N 3.23Å; R16-Q18 HydrophobicContact CB-CG 4.06Å; R16-Q18 PolarHBondContact O-N 2.82Å |
| 17 | K | 69.4 | Low | 78.4 | Confident | 132 Ų | 132 | 63.5 Ų | 63.5 | 57% | 0.574 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 27.1 | 178.7 | -52.7 | 176.5 | -176.7 | 170.8 | 0 | 114.7 | K13 A14 E15 G19 A316 | K13-K17 PolarHBondContact O-N 3.27Å; A14-K17 PolarHBondContact O-N 2.74Å; E15-K17 PolarHBondContact O-N 3.22Å; K17-G19 PolarHBondContact O-N 2.81Å; K17-A316 VanDerWaalsContact NZ-CB 3.34Å |
| 18 | Q | 68.1 | Low | 78.1 | Confident | 120 Ų | 120 | 65.5 Ų | 65.5 | 56% | 0.561 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -80.4 | 2.1 | -178 | -63.3 | -175.3 | -10.7 | 0 | 0 | 114.1 | K13 R16 | K13-Q18 HydrophobicContact CB-CB 4.35Å; K13-Q18 WeakPolarHBondContact O-CB 3.15Å; K13-Q18 PolarHBondContact O-N 3.01Å; R16-Q18 HydrophobicContact CB-CG 4.06Å; R16-Q18 PolarHBondContact O-N 2.82Å |
| 19 | G | 65.2 | Low | 77.6 | Confident | 35 Ų | 35 | 73.9 Ų | 73.9 | 36% | 0.361 | 36% | 0.364 | S | S | . | . | S | Bend | trans | 160.6 | 167.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | K17 L24 | K17-G19 PolarHBondContact O-N 2.81Å; G19-L24 WeakPolarHBondContact O-CD1 3.28Å |
| 20 | A | 68.5 | Low | 77.3 | Confident | 62 Ų | 62 | 71 Ų | 71 | 51% | 0.512 | 35% | 0.351 | S | S | . | . | trans | -67.3 | 141.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | K22 T23 L24 | A20-K22 VanDerWaalsContact C-N 3.26Å; A20-K22 PolarHBondContact O-N 3.06Å; A20-K22 VanDerWaalsContact O-N 3.17Å; A20-T23 WeakPolarHBondContact O-CB 3.24Å; A20-T23 PolarHBondContact O-N 3.21Å; A20-L24 WeakPolarHBondContact O-CG 3.48Å; A20-L24 PolarHBondContact O-N 3.07Å | ||
| 21 | L | 71.3 | Confident | 76.9 | Confident | 25 Ų | 25 | 76.9 Ų | 76.9 | 13% | 0.131 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -50.8 | -45.5 | -176.3 | -162.3 | 80 | 0 | 0 | 0 | 112.7 | I10 L11 A14 L24 V25 V40 C41 Q44 | I10-L21 HydrophobicContact CG2-CD1 4.2Å; L11-L21 HydrophobicContact CD2-CD1 4.35Å; A14-L21 HydrophobicContact CB-CD1 3.63Å; L21-L24 PolarHBondContact O-N 3.21Å; L21-V25 VanDerWaalsContact O-CG2 3.27Å; L21-V25 WeakPolarHBondContact O-CG2 3.21Å; L21-V25 PolarHBondContact O-N 3.47Å; L21-V40 HydrophobicContact CD1-CG1 3.47Å; L21-V40 VanDerWaalsContact CD1-CG1 3.47Å; L21-V40 HydrophobicContact CD2-CG1 3.76Å; L21-V40 HydrophobicContact CG-CG1 3.66Å; L21-C41 HydrophobicContact CD2-CB 4.49Å; L21-Q44 VanDerWaalsContact CD1-OE1 3.28Å |
| 22 | K | 70.5 | Confident | 76.8 | Confident | 109 Ų | 109 | 80 Ų | 80 | 47% | 0.474 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -58.3 | -52.4 | 177.3 | -169.5 | 174.3 | -178.5 | 175.4 | 0 | 110.9 | A20 L24 V25 Y26 F37 | A20-K22 VanDerWaalsContact C-N 3.26Å; A20-K22 PolarHBondContact O-N 3.06Å; A20-K22 VanDerWaalsContact O-N 3.17Å; K22-L24 VanDerWaalsContact C-N 3.32Å; K22-L24 PolarHBondContact O-N 3.08Å; K22-V25 PolarHBondContact O-N 3.34Å; K22-V25 VanDerWaalsContact O-N 3.15Å; K22-Y26 HydrophobicContact CD-CE2 4.42Å; K22-Y26 HydrophobicContact CG-CD2 3.8Å; K22-Y26 HydrophobicContact CG-CE2 3.69Å; K22-Y26 VanDerWaalsContact O-CD2 3.24Å; K22-Y26 WeakPolarHBondContact O-CD2 3.3Å; K22-Y26 PolarHBondContact O-N 3.13Å; K22-F37 HydrophobicContact CB-CE2 3.93Å; K22-F37 HydrophobicContact CG-CE2 3.86Å; K22-F37 HydrophobicContact CG-CZ 4.43Å |
| 23 | T | 71.7 | Confident | 76.5 | Confident | 75 Ų | 75 | 79.7 Ų | 79.7 | 46% | 0.46 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -56.7 | -46.8 | 178.8 | -49.4 | 0 | 0 | 0 | 0 | 111.4 | A20 V25 Y26 D27 | A20-T23 WeakPolarHBondContact O-CB 3.24Å; A20-T23 PolarHBondContact O-N 3.21Å; T23-V25 VanDerWaalsContact C-N 3.31Å; T23-V25 PolarHBondContact O-N 2.99Å; T23-Y26 PolarHBondContact O-N 3.33Å; T23-D27 WeakPolarHBondContact O-CB 3.38Å; T23-D27 VanDerWaalsContact O-CG 3.26Å; T23-D27 PolarHBondContact O-N 3.21Å |
| 24 | L | 78.9 | Confident | 76.2 | Confident | 20 Ų | 20 | 82.8 Ų | 82.8 | 11% | 0.105 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -61.1 | -37.6 | 178.6 | -65.5 | 172.3 | 0 | 0 | 0 | 112.8 | I10 K13 A14 G19 A20 L21 K22 S28 | I10-L24 HydrophobicContact CG2-CB 3.93Å; K13-L24 HydrophobicContact CB-CD1 3.85Å; K13-L24 HydrophobicContact CB-CD2 4.18Å; K13-L24 HydrophobicContact CD-CD2 4.32Å; A14-L24 HydrophobicContact CB-CD1 3.98Å; G19-L24 WeakPolarHBondContact O-CD1 3.28Å; A20-L24 WeakPolarHBondContact O-CG 3.48Å; A20-L24 PolarHBondContact O-N 3.07Å; L21-L24 PolarHBondContact O-N 3.21Å; K22-L24 VanDerWaalsContact C-N 3.32Å; K22-L24 PolarHBondContact O-N 3.08Å; L24-S28 PolarHBondContact O-N 3.48Å |
| 25 | V | 80 | Confident | 76.5 | Confident | 0 Ų | 0 | 84.8 Ų | 84.8 | 0% | 0 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -67.6 | -46.3 | 175.7 | 173.2 | 0 | 0 | 0 | 0 | 111.5 | I10 L21 K22 T23 D27 S28 I33 L36 F37 V40 | I10-V25 HydrophobicContact CD1-CB 4.49Å; I10-V25 HydrophobicContact CD1-CG2 4.06Å; I10-V25 HydrophobicContact CG2-CG2 3.87Å; L21-V25 VanDerWaalsContact O-CG2 3.27Å; L21-V25 WeakPolarHBondContact O-CG2 3.21Å; L21-V25 PolarHBondContact O-N 3.47Å; K22-V25 PolarHBondContact O-N 3.34Å; K22-V25 VanDerWaalsContact O-N 3.15Å; T23-V25 VanDerWaalsContact C-N 3.31Å; T23-V25 PolarHBondContact O-N 2.99Å; V25-D27 VanDerWaalsContact C-N 3.35Å; V25-S28 WeakPolarHBondContact O-CB 3.31Å; V25-S28 PolarHBondContact O-N 2.95Å; V25-S28 PolarHBondContact O-OG 3.03Å; V25-I33 HydrophobicContact CG1-CG2 3.91Å; V25-L36 HydrophobicContact CG1-CD2 4.19Å; V25-L36 HydrophobicContact CG1-CG 4.18Å; V25-F37 HydrophobicContact CB-CD2 4.12Å; V25-F37 HydrophobicContact CG1-CB 3.91Å; V25-F37 HydrophobicContact CG1-CD2 4.05Å; V25-F37 HydrophobicContact CG1-CG 4.49Å; V25-F37 HydrophobicContact CG2-CD2 4.08Å; V25-V40 HydrophobicContact CG2-CB 4.36Å; V25-V40 HydrophobicContact CG2-CG1 4.2Å |
| 26 | Y | 77.4 | Confident | 76.8 | Confident | 122 Ų | 122 | 80.4 Ų | 80.4 | 48% | 0.478 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -69.4 | -33.4 | 179.9 | -79.1 | -85.8 | 0 | 0 | 0 | 112.3 | K22 T23 S28 K29 I33 | K22-Y26 HydrophobicContact CD-CE2 4.42Å; K22-Y26 HydrophobicContact CG-CD2 3.8Å; K22-Y26 HydrophobicContact CG-CE2 3.69Å; K22-Y26 VanDerWaalsContact O-CD2 3.24Å; K22-Y26 WeakPolarHBondContact O-CD2 3.3Å; K22-Y26 PolarHBondContact O-N 3.13Å; T23-Y26 PolarHBondContact O-N 3.33Å; Y26-S28 PolarHBondContact O-N 2.86Å; Y26-K29 PolarHBondContact O-N 3.44Å; Y26-I33 HydrophobicContact CD1-CD1 4.19Å; Y26-I33 HydrophobicContact CD1-CG2 4.04Å; Y26-I33 HydrophobicContact CE1-CG2 3.86Å; Y26-I33 HydrophobicContact CG-CG2 4.47Å |
| 27 | D | 81.2 | Confident | 76.8 | Confident | 105 Ų | 105 | 76.1 Ų | 76.1 | 56% | 0.561 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -70.3 | -20.6 | 176.1 | -73.6 | -14.2 | 0 | 0 | 0 | 112.9 | T23 V25 K29 | T23-D27 WeakPolarHBondContact O-CB 3.38Å; T23-D27 VanDerWaalsContact O-CG 3.26Å; T23-D27 PolarHBondContact O-N 3.21Å; V25-D27 VanDerWaalsContact C-N 3.35Å; D27-K29 PolarHBondContact O-N 2.89Å |
| 28 | S | 82.4 | Confident | 77.2 | Confident | 41 Ų | 41 | 72.3 Ų | 72.3 | 29% | 0.287 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -17.5 | 178.3 | 76.8 | 0 | 0 | 0 | 0 | 114.1 | L24 V25 Y26 F30 L36 | L24-S28 PolarHBondContact O-N 3.48Å; V25-S28 WeakPolarHBondContact O-CB 3.31Å; V25-S28 PolarHBondContact O-N 2.95Å; V25-S28 PolarHBondContact O-OG 3.03Å; Y26-S28 PolarHBondContact O-N 2.86Å; S28-F30 PolarHBondContact O-N 3.33Å; S28-F30 PolarHBondContact OG-N 3.18Å; S28-L36 WeakPolarHBondContact OG-CD2 3.39Å |
| 29 | K | 80.6 | Confident | 78 | Confident | 184 Ų | 184 | 67.2 Ų | 67.2 | 80% | 0.8 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 26.4 | -175.8 | -59.8 | 179.6 | -178 | 176.9 | 0 | 114 | Y26 D27 | Y26-K29 PolarHBondContact O-N 3.44Å; D27-K29 PolarHBondContact O-N 2.89Å |
| 30 | F | 84.8 | Confident | 78.8 | Confident | 34 Ų | 34 | 65.6 Ų | 65.6 | 15% | 0.149 | 34% | 0.342 | C | S | . | . | trans | -65.9 | 139.5 | -179.8 | -170.6 | -99 | 0 | 0 | 0 | 111.2 | A2 L3 T6 S28 N32 I33 L36 | A2-F30 HydrophobicContact CB-CE2 4.01Å; L3-F30 HydrophobicContact CB-CE1 4.42Å; L3-F30 HydrophobicContact CB-CZ 3.85Å; L3-F30 HydrophobicContact CD1-CD1 4.32Å; L3-F30 HydrophobicContact CD1-CE1 3.57Å; L3-F30 HydrophobicContact CD1-CZ 3.86Å; L3-F30 HydrophobicContact CG-CZ 4.49Å; T6-F30 HydrophobicContact CG2-CD2 4.23Å; S28-F30 PolarHBondContact O-N 3.33Å; S28-F30 PolarHBondContact OG-N 3.18Å; F30-N32 VanDerWaalsContact C-N 3.34Å; F30-N32 HydrophobicContact CD1-CB 4.44Å; F30-N32 HydrophobicContact CE1-CB 4.17Å; F30-N32 PolarHBondContact O-N 3.12Å; F30-I33 WeakPolarHBondContact O-CG1 3.48Å; F30-L36 HydrophobicContact CB-CD2 3.43Å; F30-L36 VanDerWaalsContact CB-CD2 3.43Å; F30-L36 HydrophobicContact CD1-CB 3.97Å; F30-L36 HydrophobicContact CD1-CD2 4.02Å; F30-L36 HydrophobicContact CG-CD2 3.77Å | ||
| 31 | P | 79.4 | Confident | 79.2 | Confident | 128 Ų | 128 | 63.9 Ų | 63.9 | 83% | 0.831 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -59 | -38.9 | -172.2 | -26.2 | 34 | 0 | 0 | 0 | 114.6 | ||
| 32 | N | 83.8 | Confident | 79.7 | Confident | 72 Ų | 72 | 65.2 Ų | 65.2 | 39% | 0.385 | 33% | 0.332 | S | S | . | . | trans | -108.4 | 73 | 177.9 | -165.1 | -12.9 | 0 | 0 | 0 | 111.2 | F30 K34 Q35 L36 | F30-N32 VanDerWaalsContact C-N 3.34Å; F30-N32 HydrophobicContact CD1-CB 4.44Å; F30-N32 HydrophobicContact CE1-CB 4.17Å; F30-N32 PolarHBondContact O-N 3.12Å; N32-K34 VanDerWaalsContact C-N 3.29Å; N32-K34 PolarHBondContact O-N 3.46Å; N32-Q35 HydrophobicContact CB-CB 4.18Å; N32-Q35 VanDerWaalsContact CG-CB 3.45Å; N32-Q35 WeakPolarHBondContact ND2-CB 3.47Å; N32-Q35 PolarHBondContact ND2-OE1 2.99Å; N32-Q35 PolarHBondContact O-N 2.98Å; N32-Q35 WeakPolarHBondContact OD1-CB 3.35Å; N32-Q35 PolarHBondContact OD1-N 3.05Å; N32-L36 PolarHBondContact O-N 2.98Å | ||
| 33 | I | 81.8 | Confident | 80.4 | Confident | 48 Ų | 48 | 60.1 Ų | 60.1 | 25% | 0.246 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.4 | -39.7 | -177.1 | -58.6 | -176.2 | 0 | 0 | 0 | 111.5 | V25 Y26 F30 Q35 L36 F37 | V25-I33 HydrophobicContact CG1-CG2 3.91Å; Y26-I33 HydrophobicContact CD1-CD1 4.19Å; Y26-I33 HydrophobicContact CD1-CG2 4.04Å; Y26-I33 HydrophobicContact CE1-CG2 3.86Å; Y26-I33 HydrophobicContact CG-CG2 4.47Å; F30-I33 WeakPolarHBondContact O-CG1 3.48Å; I33-Q35 PolarHBondContact O-N 3.33Å; I33-L36 PolarHBondContact O-N 2.83Å; I33-F37 WeakPolarHBondContact O-CB 3.25Å; I33-F37 PolarHBondContact O-N 3.47Å |
| 34 | K | 74.8 | Confident | 81 | Confident | 155 Ų | 155 | 60.6 Ų | 60.6 | 67% | 0.674 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -61.4 | -45.9 | -179.7 | -69.1 | -171 | 177.6 | -170.5 | 0 | 111.4 | N32 A38 D193 | N32-K34 VanDerWaalsContact C-N 3.29Å; N32-K34 PolarHBondContact O-N 3.46Å; K34-A38 WeakPolarHBondContact O-CB 3.45Å; K34-A38 PolarHBondContact O-N 2.91Å; K34-D193 IonicContact NZ-OD2 3.85Å |
| 35 | Q | 82.4 | Confident | 80.9 | Confident | 65 Ų | 65 | 63.9 Ų | 63.9 | 30% | 0.304 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.7 | -43 | 177.3 | -176.4 | -179.9 | 14.6 | 0 | 0 | 112 | L3 N32 I33 L39 | L3-Q35 HydrophobicContact CD1-CG 4.31Å; L3-Q35 HydrophobicContact CD2-CG 4.03Å; N32-Q35 HydrophobicContact CB-CB 4.18Å; N32-Q35 VanDerWaalsContact CG-CB 3.45Å; N32-Q35 WeakPolarHBondContact ND2-CB 3.47Å; N32-Q35 PolarHBondContact ND2-OE1 2.99Å; N32-Q35 PolarHBondContact O-N 2.98Å; N32-Q35 WeakPolarHBondContact OD1-CB 3.35Å; N32-Q35 PolarHBondContact OD1-N 3.05Å; I33-Q35 PolarHBondContact O-N 3.33Å; Q35-L39 WeakPolarHBondContact O-CB 3.24Å; Q35-L39 PolarHBondContact O-N 3.21Å |
| 36 | L | 82.8 | Confident | 81 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.5 | -45.9 | 177.6 | 177.3 | 62.3 | 0 | 0 | 0 | 111.5 | L3 T6 A7 I10 V25 S28 F30 N32 I33 L39 V40 | L3-L36 HydrophobicContact CD1-CB 3.97Å; L3-L36 HydrophobicContact CD1-CD1 4.03Å; T6-L36 HydrophobicContact CG2-CD1 4.39Å; T6-L36 HydrophobicContact CG2-CD2 3.89Å; A7-L36 HydrophobicContact CB-CD1 3.75Å; I10-L36 HydrophobicContact CD1-CD1 4.17Å; I10-L36 HydrophobicContact CD1-CD2 3.71Å; I10-L36 HydrophobicContact CD1-CG 4.11Å; V25-L36 HydrophobicContact CG1-CD2 4.19Å; V25-L36 HydrophobicContact CG1-CG 4.18Å; S28-L36 WeakPolarHBondContact OG-CD2 3.39Å; F30-L36 HydrophobicContact CB-CD2 3.43Å; F30-L36 VanDerWaalsContact CB-CD2 3.43Å; F30-L36 HydrophobicContact CD1-CB 3.97Å; F30-L36 HydrophobicContact CD1-CD2 4.02Å; F30-L36 HydrophobicContact CG-CD2 3.77Å; N32-L36 PolarHBondContact O-N 2.98Å; I33-L36 PolarHBondContact O-N 2.83Å; L36-L39 PolarHBondContact O-N 2.81Å; L36-V40 HydrophobicContact CD1-CG2 3.87Å; L36-V40 HydrophobicContact CG-CG2 4.36Å; L36-V40 WeakPolarHBondContact O-CB 3.32Å; L36-V40 WeakPolarHBondContact O-CG2 3.42Å; L36-V40 PolarHBondContact O-N 3.07Å |
| 37 | F | 78.1 | Confident | 81.4 | Confident | 67 Ų | 67 | 59.5 Ų | 59.5 | 29% | 0.294 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.8 | -49.3 | 178.3 | -174.2 | -101.7 | 0 | 0 | 0 | 111.2 | K22 V25 I33 L39 V40 C41 | K22-F37 HydrophobicContact CB-CE2 3.93Å; K22-F37 HydrophobicContact CG-CE2 3.86Å; K22-F37 HydrophobicContact CG-CZ 4.43Å; V25-F37 HydrophobicContact CB-CD2 4.12Å; V25-F37 HydrophobicContact CG1-CB 3.91Å; V25-F37 HydrophobicContact CG1-CD2 4.05Å; V25-F37 HydrophobicContact CG1-CG 4.49Å; V25-F37 HydrophobicContact CG2-CD2 4.08Å; I33-F37 WeakPolarHBondContact O-CB 3.25Å; I33-F37 PolarHBondContact O-N 3.47Å; F37-L39 PolarHBondContact O-N 3.27Å; F37-V40 PolarHBondContact O-N 3.09Å; F37-C41 WeakPolarHBondContact CZ-SG 3.48Å; F37-C41 VanDerWaalsContact O-CB 3.31Å; F37-C41 WeakPolarHBondContact O-CB 3.46Å; F37-C41 PolarHBondContact O-N 3.34Å; F37-C41 PolarHBondContact O-SG 3.38Å; F37-C41 VanDerWaalsContact O-SG 3.4Å |
| 38 | A | 77.8 | Confident | 81.5 | Confident | 52 Ų | 52 | 57.8 Ų | 57.8 | 43% | 0.43 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.8 | -48.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | K34 V40 C41 E42 | K34-A38 WeakPolarHBondContact O-CB 3.45Å; K34-A38 PolarHBondContact O-N 2.91Å; A38-V40 PolarHBondContact O-N 3.34Å; A38-C41 PolarHBondContact O-N 3.48Å; A38-E42 WeakPolarHBondContact O-CB 3.39Å; A38-E42 VanDerWaalsContact O-CG 3.26Å; A38-E42 WeakPolarHBondContact O-CG 3.31Å; A38-E42 PolarHBondContact O-N 3.09Å |
| 39 | L | 84.1 | Confident | 81.7 | Confident | 13 Ų | 13 | 55.9 Ų | 55.9 | 7% | 0.068 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.7 | -45 | 179.8 | 179.8 | 61.5 | 0 | 0 | 0 | 112.1 | L3 Y4 A7 Q35 L36 F37 T43 V72 Y75 D76 | L3-L39 HydrophobicContact CD1-CD2 4.44Å; L3-L39 HydrophobicContact CD2-CD2 4.04Å; L3-L39 HydrophobicContact CG-CD2 3.89Å; Y4-L39 HydrophobicContact CD1-CD2 4.23Å; Y4-L39 HydrophobicContact CE1-CD2 4.26Å; A7-L39 HydrophobicContact CB-CD2 4.06Å; A7-L39 HydrophobicContact CB-CG 4.44Å; Q35-L39 WeakPolarHBondContact O-CB 3.24Å; Q35-L39 PolarHBondContact O-N 3.21Å; L36-L39 PolarHBondContact O-N 2.81Å; F37-L39 PolarHBondContact O-N 3.27Å; L39-T43 VanDerWaalsContact O-CB 3.24Å; L39-T43 WeakPolarHBondContact O-CB 3.24Å; L39-T43 PolarHBondContact O-N 3.45Å; L39-T43 PolarHBondContact O-OG1 2.72Å; L39-V72 HydrophobicContact CD1-CG1 3.9Å; L39-V72 HydrophobicContact CD2-CG1 3.63Å; L39-V72 HydrophobicContact CG-CG1 3.75Å; L39-Y75 HydrophobicContact CD1-CD1 3.81Å; L39-Y75 HydrophobicContact CD1-CE1 4.14Å; L39-D76 HydrophobicContact CD1-CB 4.31Å |
| 40 | V | 83.2 | Confident | 82.1 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.7 | -47.1 | -179.3 | 170.1 | 0 | 0 | 0 | 0 | 111 | A7 I10 L11 L21 V25 L36 F37 A38 T43 Q44 | A7-V40 HydrophobicContact CB-CG2 3.6Å; I10-V40 HydrophobicContact CB-CG2 4.45Å; I10-V40 HydrophobicContact CG2-CG1 3.79Å; I10-V40 HydrophobicContact CG2-CG2 4.38Å; L11-V40 HydrophobicContact CD2-CG1 3.93Å; L11-V40 HydrophobicContact CG-CG1 4.21Å; L21-V40 HydrophobicContact CD1-CG1 3.47Å; L21-V40 VanDerWaalsContact CD1-CG1 3.47Å; L21-V40 HydrophobicContact CD2-CG1 3.76Å; L21-V40 HydrophobicContact CG-CG1 3.66Å; V25-V40 HydrophobicContact CG2-CB 4.36Å; V25-V40 HydrophobicContact CG2-CG1 4.2Å; L36-V40 HydrophobicContact CD1-CG2 3.87Å; L36-V40 HydrophobicContact CG-CG2 4.36Å; L36-V40 WeakPolarHBondContact O-CB 3.32Å; L36-V40 WeakPolarHBondContact O-CG2 3.42Å; L36-V40 PolarHBondContact O-N 3.07Å; F37-V40 PolarHBondContact O-N 3.09Å; A38-V40 PolarHBondContact O-N 3.34Å; V40-T43 PolarHBondContact O-N 2.96Å; V40-Q44 WeakPolarHBondContact O-CB 3.26Å; V40-Q44 PolarHBondContact O-N 3.13Å |
| 41 | C | 77.1 | Confident | 82.3 | Confident | 26 Ų | 26 | 48.8 Ų | 48.8 | 18% | 0.176 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.8 | -49.4 | 177.6 | -78.3 | 0 | 0 | 0 | 0 | 111.9 | L21 F37 A38 Q44 K45 | L21-C41 HydrophobicContact CD2-CB 4.49Å; F37-C41 WeakPolarHBondContact CZ-SG 3.48Å; F37-C41 VanDerWaalsContact O-CB 3.31Å; F37-C41 WeakPolarHBondContact O-CB 3.46Å; F37-C41 PolarHBondContact O-N 3.34Å; F37-C41 PolarHBondContact O-SG 3.38Å; F37-C41 VanDerWaalsContact O-SG 3.4Å; A38-C41 PolarHBondContact O-N 3.48Å; C41-Q44 WeakPolarHBondContact O-CB 3.41Å; C41-Q44 PolarHBondContact O-N 2.81Å; C41-K45 WeakPolarHBondContact O-CG 3.34Å; C41-K45 PolarHBondContact O-N 3.44Å |
| 42 | E | 80.9 | Confident | 82.7 | Confident | 54 Ų | 54 | 45.1 Ų | 45.1 | 25% | 0.252 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -69.2 | -39.3 | -177.9 | -65.6 | -62.3 | 128.7 | 0 | 0 | 112 | A38 Q44 K45 F46 Y75 | A38-E42 WeakPolarHBondContact O-CB 3.39Å; A38-E42 VanDerWaalsContact O-CG 3.26Å; A38-E42 WeakPolarHBondContact O-CG 3.31Å; A38-E42 PolarHBondContact O-N 3.09Å; E42-Q44 PolarHBondContact O-N 2.8Å; E42-K45 WeakPolarHBondContact O-CB 3.3Å; E42-K45 PolarHBondContact O-N 3.36Å; E42-K45 WeakPolarHBondContact OE1-CE 3.39Å; E42-K45 IonicContact OE1-NZ 3.26Å; E42-K45 PolarHBondContact OE1-NZ 3.29Å; E42-F46 WeakPolarHBondContact O-CD2 3.49Å; E42-F46 PolarHBondContact O-N 2.86Å; E42-F46 VanDerWaalsContact O-N 3.14Å; E42-Y75 HydrophobicContact CB-CE1 3.81Å; E42-Y75 HydrophobicContact CB-CE2 3.67Å; E42-Y75 WeakPolarHBondContact CB-OH 3.43Å; E42-Y75 WeakPolarHBondContact CG-OH 3.36Å |
| 43 | T | 85.9 | Confident | 83 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.1 | -38.7 | 173 | -57 | 0 | 0 | 0 | 0 | 111.1 | L11 L39 V40 F46 S47 L50 K71 V72 | L11-T43 HydrophobicContact CD1-CG2 3.58Å; L39-T43 VanDerWaalsContact O-CB 3.24Å; L39-T43 WeakPolarHBondContact O-CB 3.24Å; L39-T43 PolarHBondContact O-N 3.45Å; L39-T43 PolarHBondContact O-OG1 2.72Å; V40-T43 PolarHBondContact O-N 2.96Å; T43-F46 PolarHBondContact O-N 3.19Å; T43-S47 WeakPolarHBondContact O-CA 3.49Å; T43-S47 PolarHBondContact O-N 3.07Å; T43-S47 VanDerWaalsContact O-N 3.1Å; T43-L50 HydrophobicContact CG2-CD1 3.98Å; T43-K71 HydrophobicContact CG2-CB 3.93Å; T43-V72 HydrophobicContact CG2-CB 4.42Å; T43-V72 HydrophobicContact CG2-CG2 4.02Å |
| 44 | Q | 83.3 | Confident | 83.4 | Confident | 86 Ų | 86 | 39.5 Ų | 39.5 | 40% | 0.402 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -66.5 | -42.6 | 176.7 | -170.2 | 175.6 | 11.1 | 0 | 0 | 112 | L11 L21 V40 C41 E42 F46 S47 | L11-Q44 HydrophobicContact CD2-CB 3.97Å; L21-Q44 VanDerWaalsContact CD1-OE1 3.28Å; V40-Q44 WeakPolarHBondContact O-CB 3.26Å; V40-Q44 PolarHBondContact O-N 3.13Å; C41-Q44 WeakPolarHBondContact O-CB 3.41Å; C41-Q44 PolarHBondContact O-N 2.81Å; E42-Q44 PolarHBondContact O-N 2.8Å; Q44-F46 VanDerWaalsContact C-N 3.28Å; Q44-F46 PolarHBondContact O-N 3.47Å; Q44-S47 WeakPolarHBondContact O-CB 3.43Å; Q44-S47 PolarHBondContact O-N 2.96Å |
| 45 | K | 77.9 | Confident | 84.1 | Confident | 89 Ų | 89 | 37.1 Ų | 37.1 | 39% | 0.387 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -55.1 | -44.7 | 175.9 | -73.4 | 177 | -179.8 | 176.9 | 0 | 111.7 | C41 E42 S47 L120 | C41-K45 WeakPolarHBondContact O-CG 3.34Å; C41-K45 PolarHBondContact O-N 3.44Å; E42-K45 WeakPolarHBondContact O-CB 3.3Å; E42-K45 PolarHBondContact O-N 3.36Å; E42-K45 WeakPolarHBondContact OE1-CE 3.39Å; E42-K45 IonicContact OE1-NZ 3.26Å; E42-K45 PolarHBondContact OE1-NZ 3.29Å; K45-S47 VanDerWaalsContact C-N 3.32Å; K45-S47 PolarHBondContact O-N 2.9Å; K45-L120 VanDerWaalsContact O-CD2 3.24Å; K45-L120 WeakPolarHBondContact O-CD2 3.26Å |
| 46 | F | 82.3 | Confident | 84.3 | Confident | 4 Ų | 4 | 36.8 Ų | 36.8 | 2% | 0.018 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 8 | 179.4 | -71.6 | -87.9 | 0 | 0 | 0 | 113.7 | E42 T43 Q44 S48 V49 L50 Y75 I79 N116 L120 | E42-F46 WeakPolarHBondContact O-CD2 3.49Å; E42-F46 PolarHBondContact O-N 2.86Å; E42-F46 VanDerWaalsContact O-N 3.14Å; T43-F46 PolarHBondContact O-N 3.19Å; Q44-F46 VanDerWaalsContact C-N 3.28Å; Q44-F46 PolarHBondContact O-N 3.47Å; F46-S48 VanDerWaalsContact C-N 3.32Å; F46-S48 PolarHBondContact O-N 3.48Å; F46-V49 PolarHBondContact O-N 3.11Å; F46-V49 VanDerWaalsContact O-N 3.1Å; F46-L50 HydrophobicContact CB-CD1 3.81Å; F46-L50 HydrophobicContact CB-CG 3.95Å; F46-L50 WeakPolarHBondContact O-CB 3.34Å; F46-L50 WeakPolarHBondContact O-CG 3.48Å; F46-L50 PolarHBondContact O-N 3.05Å; F46-Y75 HydrophobicContact CB-CD2 4.34Å; F46-Y75 HydrophobicContact CD2-CD2 4.03Å; F46-Y75 AromaticContact CD2-CE2 3.69Å; F46-Y75 HydrophobicContact CD2-CE2 3.69Å; F46-Y75 HydrophobicContact CE2-CE2 4.09Å; F46-Y75 HydrophobicContact CG-CD2 4.39Å; F46-Y75 HydrophobicContact CG-CE2 4.46Å; F46-I79 HydrophobicContact CB-CD1 4.2Å; F46-I79 HydrophobicContact CD1-CD1 3.47Å; F46-I79 VanDerWaalsContact CD1-CD1 3.47Å; F46-I79 HydrophobicContact CD2-CD1 4.31Å; F46-I79 HydrophobicContact CE1-CD1 3.83Å; F46-I79 HydrophobicContact CE1-CG2 4.47Å; F46-I79 HydrophobicContact CE2-CG2 4.16Å; F46-I79 HydrophobicContact CG-CD1 3.73Å; F46-I79 HydrophobicContact CZ-CD1 4.39Å; F46-I79 HydrophobicContact CZ-CG2 4.08Å; F46-N116 WeakPolarHBondContact CE1-O 3.49Å; F46-L120 HydrophobicContact CB-CD2 4.4Å; F46-L120 HydrophobicContact CD1-CD2 3.41Å; F46-L120 VanDerWaalsContact CD1-CD2 3.41Å; F46-L120 HydrophobicContact CD1-CG 4.01Å; F46-L120 HydrophobicContact CD2-CD2 4.1Å; F46-L120 HydrophobicContact CE1-CD1 3.99Å; F46-L120 HydrophobicContact CE1-CD2 3.54Å; F46-L120 HydrophobicContact CE1-CG 3.58Å; F46-L120 HydrophobicContact CE2-CD1 4.04Å; F46-L120 HydrophobicContact CE2-CD2 4.21Å; F46-L120 HydrophobicContact CE2-CG 4.43Å; F46-L120 HydrophobicContact CG-CD2 3.72Å; F46-L120 HydrophobicContact CZ-CD1 3.67Å; F46-L120 HydrophobicContact CZ-CD2 3.95Å; F46-L120 HydrophobicContact CZ-CG 3.82Å |
| 47 | S | 84.9 | Confident | 84.6 | Confident | 26 Ų | 26 | 37 Ų | 37 | 18% | 0.182 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -55.3 | -42.1 | -168.8 | -176 | 0 | 0 | 0 | 0 | 113.6 | T43 Q44 K45 Q51 K71 | T43-S47 WeakPolarHBondContact O-CA 3.49Å; T43-S47 PolarHBondContact O-N 3.07Å; T43-S47 VanDerWaalsContact O-N 3.1Å; Q44-S47 WeakPolarHBondContact O-CB 3.43Å; Q44-S47 PolarHBondContact O-N 2.96Å; K45-S47 VanDerWaalsContact C-N 3.32Å; K45-S47 PolarHBondContact O-N 2.9Å; S47-Q51 VanDerWaalsContact O-CB 3.23Å; S47-Q51 WeakPolarHBondContact O-CB 3.33Å; S47-Q51 PolarHBondContact O-N 3.08Å; S47-K71 PolarHBondContact OG-NZ 3.03Å |
| 48 | S | 83.4 | Confident | 85.1 | Confident | 69 Ų | 69 | 40 Ų | 40 | 48% | 0.483 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -66 | -45.7 | 178.2 | 56.6 | 0 | 0 | 0 | 0 | 112.4 | F46 Q51 E52 | F46-S48 VanDerWaalsContact C-N 3.32Å; F46-S48 PolarHBondContact O-N 3.48Å; S48-Q51 PolarHBondContact O-N 3.09Å; S48-E52 PolarHBondContact O-N 3.46Å; S48-E52 VanDerWaalsContact O-N 3.09Å |
| 49 | V | 86.1 | Confident | 85.4 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.2 | -46.8 | 176.5 | 176.6 | 0 | 0 | 0 | 0 | 110.5 | F46 Q51 E52 I53 M107 L119 | F46-V49 PolarHBondContact O-N 3.11Å; F46-V49 VanDerWaalsContact O-N 3.1Å; V49-Q51 VanDerWaalsContact C-N 3.34Å; V49-Q51 PolarHBondContact O-N 3.48Å; V49-E52 PolarHBondContact O-N 3.21Å; V49-I53 HydrophobicContact CG1-CD1 4.16Å; V49-I53 WeakPolarHBondContact O-CG1 3.24Å; V49-I53 PolarHBondContact O-N 2.91Å; V49-I53 VanDerWaalsContact O-N 3.16Å; V49-M107 HydrophobicContact CG1-SD 3.79Å; V49-L119 HydrophobicContact CG1-CB 4.44Å; V49-L119 HydrophobicContact CG1-CD1 4.32Å; V49-L119 HydrophobicContact CG2-CB 4.2Å |
| 50 | L | 89.4 | Confident | 85.5 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.2 | -40.5 | 179.7 | -65.5 | 167 | 0 | 0 | 0 | 111.4 | T43 F46 I53 I54 K71 L74 I79 | T43-L50 HydrophobicContact CG2-CD1 3.98Å; F46-L50 HydrophobicContact CB-CD1 3.81Å; F46-L50 HydrophobicContact CB-CG 3.95Å; F46-L50 WeakPolarHBondContact O-CB 3.34Å; F46-L50 WeakPolarHBondContact O-CG 3.48Å; F46-L50 PolarHBondContact O-N 3.05Å; L50-I53 PolarHBondContact O-N 3.33Å; L50-I54 WeakPolarHBondContact O-CB 3.26Å; L50-I54 WeakPolarHBondContact O-CD1 3.31Å; L50-I54 WeakPolarHBondContact O-CG1 3.5Å; L50-I54 PolarHBondContact O-N 3.22Å; L50-K71 HydrophobicContact CB-CG 4.36Å; L50-K71 HydrophobicContact CD1-CB 4.45Å; L50-L74 HydrophobicContact CB-CD2 4.46Å; L50-L74 HydrophobicContact CD2-CB 4.11Å; L50-L74 HydrophobicContact CD2-CD2 3.93Å; L50-L74 HydrophobicContact CD2-CG 3.84Å; L50-I79 HydrophobicContact CD2-CD1 4.44Å |
| 51 | Q | 89.1 | Confident | 85.5 | Confident | 70 Ų | 70 | 47.9 Ų | 47.9 | 33% | 0.327 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.5 | -46.5 | 177.2 | -178 | 164.3 | -13.5 | 0 | 0 | 111.9 | S47 S48 V49 I53 I54 E55 M67 | S47-Q51 VanDerWaalsContact O-CB 3.23Å; S47-Q51 WeakPolarHBondContact O-CB 3.33Å; S47-Q51 PolarHBondContact O-N 3.08Å; S48-Q51 PolarHBondContact O-N 3.09Å; V49-Q51 VanDerWaalsContact C-N 3.34Å; V49-Q51 PolarHBondContact O-N 3.48Å; Q51-I53 VanDerWaalsContact C-N 3.31Å; Q51-I53 PolarHBondContact O-N 2.75Å; Q51-I54 PolarHBondContact O-N 3.16Å; Q51-I54 VanDerWaalsContact O-N 3.16Å; Q51-E55 HydrophobicContact CG-CG 4.44Å; Q51-E55 WeakPolarHBondContact CG-OE1 3.49Å; Q51-E55 PolarHBondContact NE2-OE1 3.15Å; Q51-E55 WeakPolarHBondContact O-CB 3.31Å; Q51-E55 WeakPolarHBondContact O-CG 3.34Å; Q51-E55 PolarHBondContact O-N 3.17Å; Q51-M67 HydrophobicContact CG-CE 4.27Å |
| 52 | E | 87.5 | Confident | 85.7 | Confident | 50 Ų | 50 | 50.1 Ų | 50.1 | 23% | 0.234 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.4 | -41.5 | 177.6 | -174.6 | -176.8 | 162.4 | 0 | 0 | 111.8 | S48 V49 S56 M107 R110 R111 | S48-E52 PolarHBondContact O-N 3.46Å; S48-E52 VanDerWaalsContact O-N 3.09Å; V49-E52 PolarHBondContact O-N 3.21Å; E52-S56 VanDerWaalsContact O-CB 3.25Å; E52-S56 WeakPolarHBondContact O-CB 3.34Å; E52-S56 PolarHBondContact O-N 2.86Å; E52-S56 PolarHBondContact O-OG 3.45Å; E52-M107 HydrophobicContact CB-CE 3.84Å; E52-M107 HydrophobicContact CG-CE 3.6Å; E52-R110 IonicContact OE1-NH1 3.4Å; E52-R110 PolarHBondContact OE1-NH1 3.01Å; E52-R111 IonicContact OE2-CZ 3.92Å; E52-R111 IonicContact OE2-NH2 3.14Å; E52-R111 PolarHBondContact OE2-NH2 2.92Å |
| 53 | I | 89.5 | Confident | 85.6 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65 | -44.9 | 176 | -63.9 | 168.3 | 0 | 0 | 0 | 110.9 | V49 L50 Q51 E55 S56 T57 L74 L78 L100 E103 L104 M107 | V49-I53 HydrophobicContact CG1-CD1 4.16Å; V49-I53 WeakPolarHBondContact O-CG1 3.24Å; V49-I53 PolarHBondContact O-N 2.91Å; V49-I53 VanDerWaalsContact O-N 3.16Å; L50-I53 PolarHBondContact O-N 3.33Å; Q51-I53 VanDerWaalsContact C-N 3.31Å; Q51-I53 PolarHBondContact O-N 2.75Å; I53-E55 VanDerWaalsContact C-N 3.32Å; I53-E55 PolarHBondContact O-N 3.48Å; I53-S56 PolarHBondContact O-N 3.23Å; I53-T57 HydrophobicContact CG2-CG2 4.37Å; I53-T57 WeakPolarHBondContact O-CB 3.48Å; I53-T57 WeakPolarHBondContact O-CG2 3.39Å; I53-T57 PolarHBondContact O-N 3.43Å; I53-T57 PolarHBondContact O-OG1 2.79Å; I53-L74 HydrophobicContact CB-CD2 4.03Å; I53-L74 HydrophobicContact CG2-CD2 3.81Å; I53-L78 HydrophobicContact CD1-CD1 4.35Å; I53-L100 HydrophobicContact CG2-CD2 4.04Å; I53-E103 HydrophobicContact CG2-CB 4.48Å; I53-L104 HydrophobicContact CD1-CB 4.27Å; I53-L104 HydrophobicContact CD1-CD1 3.77Å; I53-M107 HydrophobicContact CD1-CE 4.33Å; I53-M107 HydrophobicContact CG1-CE 3.49Å; I53-M107 VanDerWaalsContact CG1-CE 3.49Å; I53-M107 HydrophobicContact CG1-SD 4.35Å |
| 54 | I | 90.1 | Very high | 85.5 | Confident | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.7 | -43.6 | -179.9 | -73.1 | 165.6 | 0 | 0 | 0 | 110.9 | L50 Q51 K58 L59 L60 M67 A70 K71 L74 | L50-I54 WeakPolarHBondContact O-CB 3.26Å; L50-I54 WeakPolarHBondContact O-CD1 3.31Å; L50-I54 WeakPolarHBondContact O-CG1 3.5Å; L50-I54 PolarHBondContact O-N 3.22Å; Q51-I54 PolarHBondContact O-N 3.16Å; Q51-I54 VanDerWaalsContact O-N 3.16Å; I54-K58 WeakPolarHBondContact O-CA 3.47Å; I54-K58 PolarHBondContact O-N 3.24Å; I54-L59 HydrophobicContact CG1-CD2 4.3Å; I54-L59 HydrophobicContact CG2-CB 4.34Å; I54-L59 PolarHBondContact O-N 3.42Å; I54-L60 HydrophobicContact CG2-CD1 4.12Å; I54-L60 HydrophobicContact CG2-CD2 3.77Å; I54-L60 HydrophobicContact CG2-CG 3.57Å; I54-M67 HydrophobicContact CB-SD 4.47Å; I54-M67 HydrophobicContact CD1-SD 3.96Å; I54-M67 HydrophobicContact CG2-CE 4.24Å; I54-M67 HydrophobicContact CG2-SD 3.89Å; I54-A70 HydrophobicContact CD1-CB 3.86Å; I54-A70 HydrophobicContact CG1-CB 4.48Å; I54-K71 HydrophobicContact CD1-CB 4.47Å; I54-K71 HydrophobicContact CD1-CG 3.79Å; I54-L74 HydrophobicContact CD1-CD2 4.17Å; I54-L74 HydrophobicContact CG1-CD2 3.64Å |
| 55 | E | 89.8 | Confident | 85.6 | Confident | 106 Ų | 106 | 53.9 Ų | 53.9 | 50% | 0.495 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -69.1 | -47.5 | -179.4 | -72.1 | 171.5 | -173.4 | 0 | 0 | 111.3 | Q51 I53 T57 K58 | Q51-E55 HydrophobicContact CG-CG 4.44Å; Q51-E55 WeakPolarHBondContact CG-OE1 3.49Å; Q51-E55 PolarHBondContact NE2-OE1 3.15Å; Q51-E55 WeakPolarHBondContact O-CB 3.31Å; Q51-E55 WeakPolarHBondContact O-CG 3.34Å; Q51-E55 PolarHBondContact O-N 3.17Å; I53-E55 VanDerWaalsContact C-N 3.32Å; I53-E55 PolarHBondContact O-N 3.48Å; E55-T57 VanDerWaalsContact C-N 3.32Å; E55-T57 PolarHBondContact O-N 2.8Å; E55-K58 PolarHBondContact O-N 2.85Å; E55-K58 VanDerWaalsContact O-N 3.12Å |
| 56 | S | 87.6 | Confident | 86 | Confident | 58 Ų | 58 | 57.2 Ų | 57.2 | 41% | 0.406 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.1 | -35.9 | 179.7 | -66.7 | 0 | 0 | 0 | 0 | 112.7 | E52 I53 | E52-S56 VanDerWaalsContact O-CB 3.25Å; E52-S56 WeakPolarHBondContact O-CB 3.34Å; E52-S56 PolarHBondContact O-N 2.86Å; E52-S56 PolarHBondContact O-OG 3.45Å; I53-S56 PolarHBondContact O-N 3.23Å |
| 57 | T | 88.5 | Confident | 86.2 | Confident | 3 Ų | 3 | 59.2 Ų | 59.2 | 2% | 0.018 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -87.4 | -6.9 | 177.1 | 60.7 | 0 | 0 | 0 | 0 | 113.9 | I53 E55 L59 L62 R99 L100 E103 | I53-T57 HydrophobicContact CG2-CG2 4.37Å; I53-T57 WeakPolarHBondContact O-CB 3.48Å; I53-T57 WeakPolarHBondContact O-CG2 3.39Å; I53-T57 PolarHBondContact O-N 3.43Å; I53-T57 PolarHBondContact O-OG1 2.79Å; E55-T57 VanDerWaalsContact C-N 3.32Å; E55-T57 PolarHBondContact O-N 2.8Å; T57-L59 PolarHBondContact O-N 3Å; T57-L62 WeakPolarHBondContact O-CD1 3.38Å; T57-R99 HydrophobicContact CG2-CG 4.28Å; T57-R99 PolarHBondContact O-NH2 3.21Å; T57-L100 HydrophobicContact CG2-CD2 4Å; T57-E103 HydrophobicContact CG2-CB 3.88Å; T57-E103 HydrophobicContact CG2-CG 4.05Å |
| 58 | K | 88.4 | Confident | 86.4 | Confident | 132 Ų | 132 | 58.6 Ų | 58.6 | 57% | 0.574 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 35.1 | -173.3 | -57.9 | 179.2 | -179.4 | 176.1 | 0 | 112.1 | I54 E55 L60 K61 L62 | I54-K58 WeakPolarHBondContact O-CA 3.47Å; I54-K58 PolarHBondContact O-N 3.24Å; E55-K58 PolarHBondContact O-N 2.85Å; E55-K58 VanDerWaalsContact O-N 3.12Å; K58-L60 VanDerWaalsContact C-N 3.28Å; K58-L60 PolarHBondContact O-N 3.45Å; K58-K61 PolarHBondContact O-N 3.44Å; K58-K61 VanDerWaalsContact O-N 3.11Å; K58-L62 PolarHBondContact O-N 3.01Å |
| 59 | L | 85.5 | Confident | 86.8 | Confident | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59 | -36.5 | -170.2 | -172.6 | 63.8 | 0 | 0 | 0 | 112.8 | I54 T57 K61 L62 A63 L74 M93 H96 L100 | I54-L59 HydrophobicContact CG1-CD2 4.3Å; I54-L59 HydrophobicContact CG2-CB 4.34Å; I54-L59 PolarHBondContact O-N 3.42Å; T57-L59 PolarHBondContact O-N 3Å; L59-K61 VanDerWaalsContact C-N 3.28Å; L59-K61 PolarHBondContact O-N 3.13Å; L59-L62 PolarHBondContact O-N 3.42Å; L59-A63 HydrophobicContact CD1-CB 4.39Å; L59-A63 WeakPolarHBondContact O-CB 3.48Å; L59-A63 PolarHBondContact O-N 3.28Å; L59-L74 HydrophobicContact CD2-CD1 4.5Å; L59-M93 HydrophobicContact CD1-CE 3.71Å; L59-M93 HydrophobicContact CD2-CE 4.05Å; L59-M93 HydrophobicContact CD2-SD 4.24Å; L59-M93 HydrophobicContact CG-CE 4.06Å; L59-H96 HydrophobicContact CD1-CB 4.29Å; L59-L100 HydrophobicContact CD1-CD1 4.23Å; L59-L100 HydrophobicContact CD1-CD2 4.2Å; L59-L100 HydrophobicContact CD2-CD1 4.31Å; L59-L100 HydrophobicContact CD2-CD2 3.99Å |
| 60 | L | 85.9 | Confident | 87 | Confident | 52 Ų | 52 | 56.3 Ų | 56.3 | 27% | 0.272 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.3 | -39.4 | 179.4 | -56.7 | -178.2 | 0 | 0 | 0 | 112.2 | I54 K58 K64 L65 M67 A70 | I54-L60 HydrophobicContact CG2-CD1 4.12Å; I54-L60 HydrophobicContact CG2-CD2 3.77Å; I54-L60 HydrophobicContact CG2-CG 3.57Å; K58-L60 VanDerWaalsContact C-N 3.28Å; K58-L60 PolarHBondContact O-N 3.45Å; L60-K64 VanDerWaalsContact O-CA 3.32Å; L60-K64 WeakPolarHBondContact O-CA 3.28Å; L60-K64 PolarHBondContact O-N 3.37Å; L60-L65 WeakPolarHBondContact CD2-O 3.44Å; L60-L65 PolarHBondContact O-N 3.02Å; L60-M67 HydrophobicContact CD1-CB 4.34Å; L60-M67 HydrophobicContact CD1-CE 3.75Å; L60-M67 HydrophobicContact CD1-SD 4.14Å; L60-M67 HydrophobicContact CD2-SD 4.44Å; L60-A70 HydrophobicContact CD2-CB 3.54Å |
| 61 | K | 83.3 | Confident | 87.1 | Confident | 175 Ų | 175 | 56.5 Ų | 56.5 | 76% | 0.761 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -71.9 | -39.9 | 178.6 | -64.9 | -174.6 | 177.8 | -175.3 | 0 | 111.5 | K58 L59 | K58-K61 PolarHBondContact O-N 3.44Å; K58-K61 VanDerWaalsContact O-N 3.11Å; L59-K61 VanDerWaalsContact C-N 3.28Å; L59-K61 PolarHBondContact O-N 3.13Å |
| 62 | L | 80.4 | Confident | 87.2 | Confident | 74 Ų | 74 | 53.2 Ų | 53.2 | 39% | 0.387 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -72.3 | -41.3 | -177.9 | -64 | 172.8 | 0 | 0 | 0 | 112.5 | T57 K58 L59 | T57-L62 WeakPolarHBondContact O-CD1 3.38Å; K58-L62 PolarHBondContact O-N 3.01Å; L59-L62 PolarHBondContact O-N 3.42Å |
| 63 | A | 79.1 | Confident | 87.3 | Confident | 7 Ų | 7 | 50.8 Ų | 50.8 | 6% | 0.058 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -99.4 | -5.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | L59 L65 M93 | L59-A63 HydrophobicContact CD1-CB 4.39Å; L59-A63 WeakPolarHBondContact O-CB 3.48Å; L59-A63 PolarHBondContact O-N 3.28Å; A63-L65 VanDerWaalsContact C-N 3.28Å; A63-L65 HydrophobicContact CB-CD1 3.76Å; A63-L65 HydrophobicContact CB-CG 3.84Å; A63-L65 PolarHBondContact O-N 2.85Å; A63-M93 HydrophobicContact CB-CE 3.64Å |
| 64 | K | 83.2 | Confident | 87.4 | Confident | 196 Ų | 196 | 50.8 Ų | 50.8 | 85% | 0.852 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 46.7 | -174 | -60.2 | -176.6 | -180 | -178.5 | 0 | 112.2 | L60 | L60-K64 VanDerWaalsContact O-CA 3.32Å; L60-K64 WeakPolarHBondContact O-CA 3.28Å; L60-K64 PolarHBondContact O-N 3.37Å |
| 65 | L | 84.9 | Confident | 87.5 | Confident | 17 Ų | 17 | 51.9 Ų | 51.9 | 9% | 0.089 | 25% | 0.245 | C | C | . | . | trans | -108.1 | 151.8 | -179.6 | -65.5 | 174.5 | 0 | 0 | 0 | 111 | L60 A63 L69 A70 L73 W89 M93 | L60-L65 WeakPolarHBondContact CD2-O 3.44Å; L60-L65 PolarHBondContact O-N 3.02Å; A63-L65 VanDerWaalsContact C-N 3.28Å; A63-L65 HydrophobicContact CB-CD1 3.76Å; A63-L65 HydrophobicContact CB-CG 3.84Å; A63-L65 PolarHBondContact O-N 2.85Å; L65-L69 HydrophobicContact CD2-CD2 4.01Å; L65-A70 HydrophobicContact CB-CB 4.25Å; L65-A70 HydrophobicContact CD1-CB 4.5Å; L65-L73 HydrophobicContact CD1-CD1 3.96Å; L65-W89 HydrophobicContact CD2-CG 4.36Å; L65-M93 HydrophobicContact CD1-CE 3.74Å; L65-M93 HydrophobicContact CD1-SD 4.31Å | ||
| 66 | K | 86.9 | Confident | 87.6 | Confident | 158 Ų | 158 | 47.4 Ų | 47.4 | 69% | 0.687 | 23% | 0.225 | S | C | * | . | trans | -77.3 | 151.2 | 166.8 | -65.1 | -174.6 | 177.8 | -177.7 | 0 | 110.2 | L69 A70 | K66-L69 PolarHBondContact O-N 2.85Å; K66-A70 WeakPolarHBondContact O-CB 3.02Å; K66-A70 PolarHBondContact O-N 3.19Å | ||
| 67 | M | 87.2 | Confident | 87.7 | Confident | 46 Ų | 46 | 45 Ų | 45 | 23% | 0.227 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -53.2 | -49.6 | -176.9 | -177 | 67.4 | 88.5 | 0 | 0 | 113.6 | Q51 I54 L60 L69 A70 K71 | Q51-M67 HydrophobicContact CG-CE 4.27Å; I54-M67 HydrophobicContact CB-SD 4.47Å; I54-M67 HydrophobicContact CD1-SD 3.96Å; I54-M67 HydrophobicContact CG2-CE 4.24Å; I54-M67 HydrophobicContact CG2-SD 3.89Å; L60-M67 HydrophobicContact CD1-CB 4.34Å; L60-M67 HydrophobicContact CD1-CE 3.75Å; L60-M67 HydrophobicContact CD1-SD 4.14Å; L60-M67 HydrophobicContact CD2-SD 4.44Å; M67-L69 VanDerWaalsContact C-N 3.34Å; M67-L69 PolarHBondContact O-N 3.25Å; M67-A70 PolarHBondContact O-N 3.31Å; M67-K71 HydrophobicContact CG-CD 4.49Å; M67-K71 WeakPolarHBondContact O-CG 3.46Å; M67-K71 PolarHBondContact O-N 2.87Å; M67-K71 HydrophobicContact SD-CG 4.43Å |
| 68 | P | 89.1 | Confident | 87.6 | Confident | 14 Ų | 14 | 46 Ų | 46 | 9% | 0.091 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.7 | -40.6 | -177.6 | -23.1 | 35.3 | 0 | 0 | 0 | 112.5 | A8 E12 K71 V72 | A8-P68 HydrophobicContact CB-CB 4.09Å; A8-P68 WeakPolarHBondContact O-CB 3.49Å; E12-P68 HydrophobicContact CB-CB 4.37Å; E12-P68 HydrophobicContact CB-CG 4.01Å; E12-P68 HydrophobicContact CG-CG 4.44Å; P68-K71 PolarHBondContact O-N 3.47Å; P68-V72 WeakPolarHBondContact O-CG2 2.87Å; P68-V72 PolarHBondContact O-N 3.12Å |
| 69 | L | 90.9 | Very high | 87.5 | Confident | 20 Ų | 20 | 41.1 Ų | 41.1 | 11% | 0.105 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -69 | -38.2 | 178.1 | -176.8 | 60.5 | 0 | 0 | 0 | 112.1 | A8 L65 K66 M67 V72 L73 W89 | A8-L69 HydrophobicContact CB-CB 3.96Å; A8-L69 HydrophobicContact CB-CD1 4.14Å; L65-L69 HydrophobicContact CD2-CD2 4.01Å; K66-L69 PolarHBondContact O-N 2.85Å; M67-L69 VanDerWaalsContact C-N 3.34Å; M67-L69 PolarHBondContact O-N 3.25Å; L69-V72 PolarHBondContact O-N 2.75Å; L69-L73 HydrophobicContact CD1-CD1 4.18Å; L69-L73 HydrophobicContact CD1-CG 4.28Å; L69-L73 HydrophobicContact CG-CD1 3.98Å; L69-L73 HydrophobicContact CG-CG 4.5Å; L69-L73 WeakPolarHBondContact O-CB 3.49Å; L69-L73 VanDerWaalsContact O-CG 3.31Å; L69-L73 WeakPolarHBondContact O-CG 3.36Å; L69-L73 PolarHBondContact O-N 3.37Å; L69-W89 HydrophobicContact CD1-CZ3 4.43Å; L69-W89 HydrophobicContact CD2-CE3 4.22Å; L69-W89 HydrophobicContact CD2-CH2 3.87Å; L69-W89 HydrophobicContact CD2-CZ2 4.12Å; L69-W89 HydrophobicContact CD2-CZ3 3.91Å |
| 70 | A | 90.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.9 | -41.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | I54 L60 L65 K66 M67 L73 L74 | I54-A70 HydrophobicContact CD1-CB 3.86Å; I54-A70 HydrophobicContact CG1-CB 4.48Å; L60-A70 HydrophobicContact CD2-CB 3.54Å; L65-A70 HydrophobicContact CB-CB 4.25Å; L65-A70 HydrophobicContact CD1-CB 4.5Å; K66-A70 WeakPolarHBondContact O-CB 3.02Å; K66-A70 PolarHBondContact O-N 3.19Å; M67-A70 PolarHBondContact O-N 3.31Å; A70-L73 PolarHBondContact O-N 2.87Å; A70-L74 WeakPolarHBondContact O-CB 3.36Å; A70-L74 PolarHBondContact O-N 3.35Å |
| 71 | K | 90.8 | Very high | 87.1 | Confident | 5 Ų | 5 | 47.6 Ų | 47.6 | 2% | 0.022 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.3 | -50.3 | 175.8 | -71.5 | -179.9 | -180 | -176.5 | 0 | 111.7 | E15 T43 S47 L50 I54 M67 P68 L73 L74 Y75 | E15-K71 IonicContact OE1-NZ 3.54Å; E15-K71 PolarHBondContact OE1-NZ 3.47Å; T43-K71 HydrophobicContact CG2-CB 3.93Å; S47-K71 PolarHBondContact OG-NZ 3.03Å; L50-K71 HydrophobicContact CB-CG 4.36Å; L50-K71 HydrophobicContact CD1-CB 4.45Å; I54-K71 HydrophobicContact CD1-CB 4.47Å; I54-K71 HydrophobicContact CD1-CG 3.79Å; M67-K71 HydrophobicContact CG-CD 4.49Å; M67-K71 WeakPolarHBondContact O-CG 3.46Å; M67-K71 PolarHBondContact O-N 2.87Å; M67-K71 HydrophobicContact SD-CG 4.43Å; P68-K71 PolarHBondContact O-N 3.47Å; K71-L73 PolarHBondContact O-N 3.5Å; K71-L74 PolarHBondContact O-N 3.2Å; K71-Y75 WeakPolarHBondContact O-CB 3.38Å; K71-Y75 PolarHBondContact O-N 3.09Å |
| 72 | V | 91.7 | Very high | 87 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.6 | -45 | -178.7 | -173.6 | 0 | 0 | 0 | 0 | 111.7 | Y4 A7 A8 L11 L39 T43 P68 L69 L74 D76 | Y4-V72 HydrophobicContact CD1-CG1 3.67Å; Y4-V72 HydrophobicContact CE1-CG1 4.4Å; A7-V72 HydrophobicContact CB-CG1 3.92Å; A7-V72 HydrophobicContact CB-CG2 4.05Å; A8-V72 HydrophobicContact CB-CG2 4.38Å; L11-V72 HydrophobicContact CD1-CG2 3.43Å; L11-V72 VanDerWaalsContact CD1-CG2 3.43Å; L39-V72 HydrophobicContact CD1-CG1 3.9Å; L39-V72 HydrophobicContact CD2-CG1 3.63Å; L39-V72 HydrophobicContact CG-CG1 3.75Å; T43-V72 HydrophobicContact CG2-CB 4.42Å; T43-V72 HydrophobicContact CG2-CG2 4.02Å; P68-V72 WeakPolarHBondContact O-CG2 2.87Å; P68-V72 PolarHBondContact O-N 3.12Å; L69-V72 PolarHBondContact O-N 2.75Å; V72-L74 VanDerWaalsContact C-N 3.35Å; V72-D76 PolarHBondContact O-N 2.87Å |
| 73 | L | 90.8 | Very high | 87.1 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.5 | -40.4 | 178.8 | -70.5 | 171.9 | 0 | 0 | 0 | 111.6 | Y4 L65 L69 A70 K71 L77 L83 W89 M93 | Y4-L73 HydrophobicContact CD1-CD2 3.72Å; Y4-L73 HydrophobicContact CD1-CG 4.48Å; Y4-L73 HydrophobicContact CE1-CD2 4.2Å; Y4-L73 HydrophobicContact CG-CD2 3.95Å; L65-L73 HydrophobicContact CD1-CD1 3.96Å; L69-L73 HydrophobicContact CD1-CD1 4.18Å; L69-L73 HydrophobicContact CD1-CG 4.28Å; L69-L73 HydrophobicContact CG-CD1 3.98Å; L69-L73 HydrophobicContact CG-CG 4.5Å; L69-L73 WeakPolarHBondContact O-CB 3.49Å; L69-L73 VanDerWaalsContact O-CG 3.31Å; L69-L73 WeakPolarHBondContact O-CG 3.36Å; L69-L73 PolarHBondContact O-N 3.37Å; A70-L73 PolarHBondContact O-N 2.87Å; K71-L73 PolarHBondContact O-N 3.5Å; L73-L77 VanDerWaalsContact O-CB 3.24Å; L73-L77 WeakPolarHBondContact O-CB 3.33Å; L73-L77 PolarHBondContact O-N 3.49Å; L73-L83 HydrophobicContact CB-CD2 4.31Å; L73-L83 HydrophobicContact CD2-CD2 3.75Å; L73-L83 WeakPolarHBondContact O-CD2 3.24Å; L73-W89 HydrophobicContact CD1-CB 4.42Å; L73-M93 HydrophobicContact CB-CG 4.34Å; L73-M93 HydrophobicContact CB-SD 4.26Å; L73-M93 HydrophobicContact CD1-CG 4.4Å |
| 74 | L | 91.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.3 | -41.7 | -180 | -173.6 | 64.8 | 0 | 0 | 0 | 111.9 | L50 I53 I54 L59 A70 K71 V72 L77 L78 L100 | L50-L74 HydrophobicContact CB-CD2 4.46Å; L50-L74 HydrophobicContact CD2-CB 4.11Å; L50-L74 HydrophobicContact CD2-CD2 3.93Å; L50-L74 HydrophobicContact CD2-CG 3.84Å; I53-L74 HydrophobicContact CB-CD2 4.03Å; I53-L74 HydrophobicContact CG2-CD2 3.81Å; I54-L74 HydrophobicContact CD1-CD2 4.17Å; I54-L74 HydrophobicContact CG1-CD2 3.64Å; L59-L74 HydrophobicContact CD2-CD1 4.5Å; A70-L74 WeakPolarHBondContact O-CB 3.36Å; A70-L74 PolarHBondContact O-N 3.35Å; K71-L74 PolarHBondContact O-N 3.2Å; V72-L74 VanDerWaalsContact C-N 3.35Å; L74-L77 PolarHBondContact O-N 3.47Å; L74-L78 HydrophobicContact CD1-CD1 3.45Å; L74-L78 VanDerWaalsContact CD1-CD1 3.45Å; L74-L78 HydrophobicContact CD1-CG 3.8Å; L74-L78 HydrophobicContact CG-CD1 3.92Å; L74-L78 HydrophobicContact CG-CG 4.4Å; L74-L78 WeakPolarHBondContact O-CB 3.44Å; L74-L78 PolarHBondContact O-N 3.12Å; L74-L100 HydrophobicContact CD1-CB 4.23Å; L74-L100 HydrophobicContact CD1-CD1 3.77Å; L74-L100 HydrophobicContact CD1-CD2 3.82Å; L74-L100 HydrophobicContact CD1-CG 4.15Å |
| 75 | Y | 92.2 | Very high | 86.9 | Confident | 25 Ų | 25 | 33.4 Ų | 33.4 | 10% | 0.098 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -54.5 | -55.6 | 174.2 | 171.2 | -97.4 | 0 | 0 | 0 | 110.6 | L39 E42 F46 K71 L77 L78 I79 G80 | L39-Y75 HydrophobicContact CD1-CD1 3.81Å; L39-Y75 HydrophobicContact CD1-CE1 4.14Å; E42-Y75 HydrophobicContact CB-CE1 3.81Å; E42-Y75 HydrophobicContact CB-CE2 3.67Å; E42-Y75 WeakPolarHBondContact CB-OH 3.43Å; E42-Y75 WeakPolarHBondContact CG-OH 3.36Å; F46-Y75 HydrophobicContact CB-CD2 4.34Å; F46-Y75 HydrophobicContact CD2-CD2 4.03Å; F46-Y75 AromaticContact CD2-CE2 3.69Å; F46-Y75 HydrophobicContact CD2-CE2 3.69Å; F46-Y75 HydrophobicContact CE2-CE2 4.09Å; F46-Y75 HydrophobicContact CG-CD2 4.39Å; F46-Y75 HydrophobicContact CG-CE2 4.46Å; K71-Y75 WeakPolarHBondContact O-CB 3.38Å; K71-Y75 PolarHBondContact O-N 3.09Å; Y75-L77 VanDerWaalsContact C-N 3.26Å; Y75-L77 PolarHBondContact O-N 3.26Å; Y75-L78 PolarHBondContact O-N 2.98Å; Y75-I79 HydrophobicContact CD2-CB 4.04Å; Y75-I79 HydrophobicContact CD2-CD1 4.24Å; Y75-I79 HydrophobicContact CD2-CG2 4.32Å; Y75-I79 HydrophobicContact CE2-CB 3.95Å; Y75-I79 HydrophobicContact CE2-CG2 3.77Å; Y75-I79 WeakPolarHBondContact O-CA 3.12Å; Y75-I79 WeakPolarHBondContact O-CB 3.32Å; Y75-I79 PolarHBondContact O-N 3.49Å; Y75-G80 PolarHBondContact O-N 2.92Å |
| 76 | D | 90.4 | Very high | 86.3 | Confident | 11 Ų | 11 | 34.6 Ų | 34.6 | 6% | 0.059 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -71.3 | -23.7 | -174.4 | -153.7 | 25.2 | 0 | 0 | 0 | 112.3 | Y4 L39 V72 Q81 G82 L83 | Y4-D76 HydrophobicContact CE1-CB 4.03Å; Y4-D76 WeakPolarHBondContact CE1-OD2 3.47Å; Y4-D76 PolarHBondContact OH-OD2 3.39Å; L39-D76 HydrophobicContact CD1-CB 4.31Å; V72-D76 PolarHBondContact O-N 2.87Å; D76-Q81 PolarHBondContact OD1-N 2.94Å; D76-Q81 VanDerWaalsContact OD1-N 3.12Å; D76-G82 CarbonylContact O-C 3.54Å; D76-G82 WeakPolarHBondContact O-CA 3.45Å; D76-G82 PolarHBondContact O-N 2.98Å; D76-L83 HydrophobicContact CB-CD2 4.38Å |
| 77 | L | 89.7 | Confident | 86 | Confident | 9 Ų | 9 | 29.8 Ų | 29.8 | 5% | 0.047 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -74.4 | -43.6 | 174.3 | 179.2 | 66.4 | 0 | 0 | 0 | 113.4 | L73 L74 Y75 L83 M93 M94 R97 L100 | L73-L77 VanDerWaalsContact O-CB 3.24Å; L73-L77 WeakPolarHBondContact O-CB 3.33Å; L73-L77 PolarHBondContact O-N 3.49Å; L74-L77 PolarHBondContact O-N 3.47Å; Y75-L77 VanDerWaalsContact C-N 3.26Å; Y75-L77 PolarHBondContact O-N 3.26Å; L77-L83 HydrophobicContact CB-CD1 4.27Å; L77-L83 HydrophobicContact CB-CD2 4.43Å; L77-L83 HydrophobicContact CB-CG 4.08Å; L77-L83 HydrophobicContact CD1-CD1 3.92Å; L77-L83 HydrophobicContact CD1-CG 4.17Å; L77-M93 HydrophobicContact CD2-CB 4.24Å; L77-M94 HydrophobicContact CD1-SD 4.06Å; L77-R97 HydrophobicContact CD1-CG 4.34Å; L77-R97 HydrophobicContact CD2-CB 4.46Å; L77-L100 HydrophobicContact CD2-CD1 3.96Å |
| 78 | L | 87.9 | Confident | 85.6 | Confident | 23 Ų | 23 | 31.4 Ų | 31.4 | 12% | 0.12 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -100.7 | -30.3 | -169.7 | -67.1 | -174.1 | 0 | 0 | 0 | 114.1 | I53 L74 Y75 L100 Q101 L104 | I53-L78 HydrophobicContact CD1-CD1 4.35Å; L74-L78 HydrophobicContact CD1-CD1 3.45Å; L74-L78 VanDerWaalsContact CD1-CD1 3.45Å; L74-L78 HydrophobicContact CD1-CG 3.8Å; L74-L78 HydrophobicContact CG-CD1 3.92Å; L74-L78 HydrophobicContact CG-CG 4.4Å; L74-L78 WeakPolarHBondContact O-CB 3.44Å; L74-L78 PolarHBondContact O-N 3.12Å; Y75-L78 PolarHBondContact O-N 2.98Å; L78-L100 HydrophobicContact CD1-CB 4.22Å; L78-L100 HydrophobicContact CD2-CB 4.15Å; L78-Q101 HydrophobicContact CD2-CG 3.67Å; L78-L104 HydrophobicContact CB-CD2 4.13Å; L78-L104 HydrophobicContact CD1-CB 4.36Å; L78-L104 HydrophobicContact CD1-CD2 4.28Å |
| 79 | I | 86.1 | Confident | 85.2 | Confident | 30 Ų | 30 | 34.7 Ų | 34.7 | 15% | 0.154 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.9 | -44 | -170.1 | -53.8 | 177.8 | 0 | 0 | 0 | 110.8 | F46 L50 Y75 N116 | F46-I79 HydrophobicContact CB-CD1 4.2Å; F46-I79 HydrophobicContact CD1-CD1 3.47Å; F46-I79 VanDerWaalsContact CD1-CD1 3.47Å; F46-I79 HydrophobicContact CD2-CD1 4.31Å; F46-I79 HydrophobicContact CE1-CD1 3.83Å; F46-I79 HydrophobicContact CE1-CG2 4.47Å; F46-I79 HydrophobicContact CE2-CG2 4.16Å; F46-I79 HydrophobicContact CG-CD1 3.73Å; F46-I79 HydrophobicContact CZ-CD1 4.39Å; F46-I79 HydrophobicContact CZ-CG2 4.08Å; L50-I79 HydrophobicContact CD2-CD1 4.44Å; Y75-I79 HydrophobicContact CD2-CB 4.04Å; Y75-I79 HydrophobicContact CD2-CD1 4.24Å; Y75-I79 HydrophobicContact CD2-CG2 4.32Å; Y75-I79 HydrophobicContact CE2-CB 3.95Å; Y75-I79 HydrophobicContact CE2-CG2 3.77Å; Y75-I79 WeakPolarHBondContact O-CA 3.12Å; Y75-I79 WeakPolarHBondContact O-CB 3.32Å; Y75-I79 PolarHBondContact O-N 3.49Å; I79-N116 HydrophobicContact CG2-CB 4.46Å |
| 80 | G | 84.2 | Confident | 84.9 | Confident | 27 Ų | 27 | 37.7 Ų | 37.7 | 28% | 0.278 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -75.6 | -155.8 | -177 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y75 G82 | Y75-G80 PolarHBondContact O-N 2.92Å; G80-G82 PolarHBondContact O-N 2.85Å |
| 81 | Q | 77.9 | Confident | 84.5 | Confident | 163 Ų | 163 | 40.8 Ų | 40.8 | 76% | 0.762 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -86.9 | 12.9 | -171.4 | -66.7 | -175.7 | -13.9 | 0 | 0 | 113.5 | D76 | D76-Q81 PolarHBondContact OD1-N 2.94Å; D76-Q81 VanDerWaalsContact OD1-N 3.12Å |
| 82 | G | 80.8 | Confident | 84.2 | Confident | 27 Ų | 27 | 42.8 Ų | 42.8 | 28% | 0.278 | 26% | 0.262 | S | S | . | . | trans | 87.5 | 153.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | D76 G80 K84 | D76-G82 CarbonylContact O-C 3.54Å; D76-G82 WeakPolarHBondContact O-CA 3.45Å; D76-G82 PolarHBondContact O-N 2.98Å; G80-G82 PolarHBondContact O-N 2.85Å; G82-K84 WeakPolarHBondContact O-CG 3.39Å; G82-K84 PolarHBondContact O-N 3.41Å | ||
| 83 | L | 82.8 | Confident | 84 | Confident | 13 Ų | 13 | 42.8 Ų | 42.8 | 7% | 0.068 | 26% | 0.262 | C | S | . | . | trans | -62.7 | 109.2 | -178.3 | -69.5 | 176.5 | 0 | 0 | 0 | 112.7 | Y4 L73 D76 L77 C85 K90 M93 | Y4-L83 HydrophobicContact CE1-CD2 4.3Å; L73-L83 HydrophobicContact CB-CD2 4.31Å; L73-L83 HydrophobicContact CD2-CD2 3.75Å; L73-L83 WeakPolarHBondContact O-CD2 3.24Å; D76-L83 HydrophobicContact CB-CD2 4.38Å; L77-L83 HydrophobicContact CB-CD1 4.27Å; L77-L83 HydrophobicContact CB-CD2 4.43Å; L77-L83 HydrophobicContact CB-CG 4.08Å; L77-L83 HydrophobicContact CD1-CD1 3.92Å; L77-L83 HydrophobicContact CD1-CG 4.17Å; L83-C85 VanDerWaalsContact C-N 3.31Å; L83-K90 HydrophobicContact CB-CD 4.36Å; L83-K90 HydrophobicContact CD1-CG 4.48Å; L83-K90 PolarHBondContact O-NZ 2.97Å; L83-M93 HydrophobicContact CD1-CB 3.62Å; L83-M93 HydrophobicContact CD1-CG 4.16Å | ||
| 84 | K | 80.6 | Confident | 83.8 | Confident | 110 Ų | 110 | 46.8 Ų | 46.8 | 48% | 0.478 | 28% | 0.282 | S | S | . | . | trans | -84.8 | -1.6 | 173.5 | -53.3 | -177.2 | -176.1 | 179.4 | 0 | 112.9 | Y4 G82 | Y4-K84 WeakPolarHBondContact OH-CB 3.39Å; Y4-K84 PolarHBondContact OH-N 2.74Å; G82-K84 WeakPolarHBondContact O-CG 3.39Å; G82-K84 PolarHBondContact O-N 3.41Å | ||
| 85 | C | 77.8 | Confident | 83.6 | Confident | 4 Ų | 4 | 54.5 Ų | 54.5 | 3% | 0.027 | 32% | 0.316 | C | S | . | . | trans | -77.8 | 159.7 | 171.7 | 56.5 | 0 | 0 | 0 | 0 | 111.8 | M1 Y4 L83 K90 | M1-C85 HydrophobicContact SD-CB 3.57Å; M1-C85 VanDerWaalsContact SD-CB 3.57Å; Y4-C85 HydrophobicContact CD2-CB 3.74Å; Y4-C85 HydrophobicContact CE2-CB 3.54Å; L83-C85 VanDerWaalsContact C-N 3.31Å; C85-K90 WeakPolarHBondContact O-CD 3.42Å | ||
| 86 | G | 72.1 | Confident | 83.5 | Confident | 42 Ų | 42 | 54.9 Ų | 54.9 | 43% | 0.433 | 32% | 0.318 | S | S | . | . | trans | -116.6 | 174 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 87 | G | 80.7 | Confident | 83.3 | Confident | 56 Ų | 56 | 58.3 Ų | 58.3 | 58% | 0.577 | 33% | 0.33 | S | S | * | . | S | Bend | trans | 84.5 | -162.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | W89 K90 A91 | G87-W89 VanDerWaalsContact C-N 3.32Å; G87-W89 PolarHBondContact O-N 3.25Å; G87-K90 PolarHBondContact O-N 2.87Å; G87-K90 VanDerWaalsContact O-N 3.14Å; G87-A91 PolarHBondContact O-N 2.82Å |
| 88 | A | 78.9 | Confident | 83.3 | Confident | 80 Ų | 80 | 62.1 Ų | 62.1 | 66% | 0.661 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -58.5 | -36.3 | -166.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | A91 N92 | A88-A91 PolarHBondContact O-N 2.97Å; A88-N92 VanDerWaalsContact O-CB 3.28Å; A88-N92 WeakPolarHBondContact O-CB 3.28Å; A88-N92 PolarHBondContact O-N 2.83Å |
| 89 | W | 80.9 | Confident | 83.4 | Confident | 84 Ų | 84 | 66.9 Ų | 66.9 | 32% | 0.318 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -68.6 | -39.5 | 178.7 | -61.5 | -20.8 | 0 | 0 | 0 | 112.6 | M1 V5 L65 L69 L73 G87 N92 M93 | M1-W89 HydrophobicContact CE-CD2 3.79Å; M1-W89 HydrophobicContact CE-CE3 3.2Å; M1-W89 HydrophobicContact CE-CG 4.49Å; M1-W89 HydrophobicContact CE-CH2 4.15Å; M1-W89 HydrophobicContact CE-CZ3 3.41Å; M1-W89 VanDerWaalsContact CE-CZ3 3.41Å; M1-W89 HydrophobicContact SD-CE3 4.13Å; M1-W89 HydrophobicContact SD-CZ3 4.44Å; V5-W89 HydrophobicContact CG2-CH2 3.87Å; V5-W89 HydrophobicContact CG2-CZ3 3.71Å; L65-W89 HydrophobicContact CD2-CG 4.36Å; L69-W89 HydrophobicContact CD1-CZ3 4.43Å; L69-W89 HydrophobicContact CD2-CE3 4.22Å; L69-W89 HydrophobicContact CD2-CH2 3.87Å; L69-W89 HydrophobicContact CD2-CZ2 4.12Å; L69-W89 HydrophobicContact CD2-CZ3 3.91Å; L73-W89 HydrophobicContact CD1-CB 4.42Å; G87-W89 VanDerWaalsContact C-N 3.32Å; G87-W89 PolarHBondContact O-N 3.25Å; W89-N92 PolarHBondContact O-N 3.48Å; W89-M93 WeakPolarHBondContact O-CB 3.36Å; W89-M93 VanDerWaalsContact O-CG 3.25Å; W89-M93 WeakPolarHBondContact O-CG 3.4Å; W89-M93 PolarHBondContact O-N 3.21Å |
| 90 | K | 83.6 | Confident | 83.6 | Confident | 82 Ų | 82 | 65.5 Ų | 65.5 | 36% | 0.357 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.5 | -45.1 | 174.7 | 176.1 | 162.2 | 174.2 | 168.7 | 0 | 110.9 | L83 C85 G87 N92 M93 M94 | L83-K90 HydrophobicContact CB-CD 4.36Å; L83-K90 HydrophobicContact CD1-CG 4.48Å; L83-K90 PolarHBondContact O-NZ 2.97Å; C85-K90 WeakPolarHBondContact O-CD 3.42Å; G87-K90 PolarHBondContact O-N 2.87Å; G87-K90 VanDerWaalsContact O-N 3.14Å; K90-N92 VanDerWaalsContact C-N 3.3Å; K90-N92 PolarHBondContact O-N 3.03Å; K90-M93 PolarHBondContact O-N 3.46Å; K90-M94 HydrophobicContact CG-CG 4.18Å; K90-M94 VanDerWaalsContact O-CB 3.3Å; K90-M94 WeakPolarHBondContact O-CB 3.45Å; K90-M94 WeakPolarHBondContact O-CG 3.41Å; K90-M94 PolarHBondContact O-N 2.58Å |
| 91 | A | 83.7 | Confident | 83.9 | Confident | 66 Ų | 66 | 68.2 Ų | 68.2 | 55% | 0.545 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -58.8 | -43.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | G87 A88 M94 K95 | G87-A91 PolarHBondContact O-N 2.82Å; A88-A91 PolarHBondContact O-N 2.97Å; A91-M94 PolarHBondContact O-N 3.04Å; A91-K95 WeakPolarHBondContact O-CB 3.42Å; A91-K95 PolarHBondContact O-N 2.9Å |
| 92 | N | 84.4 | Confident | 84.5 | Confident | 46 Ų | 46 | 62.4 Ų | 62.4 | 25% | 0.246 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -68.8 | -42.4 | 179.9 | -156.6 | -13.2 | 0 | 0 | 0 | 112.6 | A88 W89 K90 K95 H96 | A88-N92 VanDerWaalsContact O-CB 3.28Å; A88-N92 WeakPolarHBondContact O-CB 3.28Å; A88-N92 PolarHBondContact O-N 2.83Å; W89-N92 PolarHBondContact O-N 3.48Å; K90-N92 VanDerWaalsContact C-N 3.3Å; K90-N92 PolarHBondContact O-N 3.03Å; N92-K95 WeakPolarHBondContact O-CB 3.48Å; N92-K95 PolarHBondContact O-N 3.14Å; N92-H96 PolarHBondContact O-CD2 2.72Å; N92-H96 VanDerWaalsContact O-CD2 3.27Å; N92-H96 PolarHBondContact O-N 3.15Å; N92-H96 PolarHBondContact OD1-CD2 2.93Å |
| 93 | M | 86.6 | Confident | 84.9 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.3 | -41.6 | 174.2 | -71.7 | -65 | 91.7 | 0 | 0 | 112.4 | L59 A63 L65 L73 L77 L83 W89 K90 K95 H96 R97 | L59-M93 HydrophobicContact CD1-CE 3.71Å; L59-M93 HydrophobicContact CD2-CE 4.05Å; L59-M93 HydrophobicContact CD2-SD 4.24Å; L59-M93 HydrophobicContact CG-CE 4.06Å; A63-M93 HydrophobicContact CB-CE 3.64Å; L65-M93 HydrophobicContact CD1-CE 3.74Å; L65-M93 HydrophobicContact CD1-SD 4.31Å; L73-M93 HydrophobicContact CB-CG 4.34Å; L73-M93 HydrophobicContact CB-SD 4.26Å; L73-M93 HydrophobicContact CD1-CG 4.4Å; L77-M93 HydrophobicContact CD2-CB 4.24Å; L83-M93 HydrophobicContact CD1-CB 3.62Å; L83-M93 HydrophobicContact CD1-CG 4.16Å; W89-M93 WeakPolarHBondContact O-CB 3.36Å; W89-M93 VanDerWaalsContact O-CG 3.25Å; W89-M93 WeakPolarHBondContact O-CG 3.4Å; W89-M93 PolarHBondContact O-N 3.21Å; K90-M93 PolarHBondContact O-N 3.46Å; M93-K95 VanDerWaalsContact C-N 3.35Å; M93-H96 CarbonylContact O-C 3.59Å; M93-H96 PolarHBondContact O-N 3.13Å; M93-R97 PolarHBondContact O-N 3.31Å |
| 94 | M | 86.4 | Confident | 85.2 | Confident | 84 Ų | 84 | 62 Ų | 62 | 41% | 0.414 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.4 | -37.7 | 176.2 | -72.2 | -64.8 | -68 | 0 | 0 | 112 | L77 K90 A91 H96 R97 | L77-M94 HydrophobicContact CD1-SD 4.06Å; K90-M94 HydrophobicContact CG-CG 4.18Å; K90-M94 VanDerWaalsContact O-CB 3.3Å; K90-M94 WeakPolarHBondContact O-CB 3.45Å; K90-M94 WeakPolarHBondContact O-CG 3.41Å; K90-M94 PolarHBondContact O-N 2.58Å; A91-M94 PolarHBondContact O-N 3.04Å; M94-H96 PolarHBondContact O-N 3.18Å; M94-R97 VanDerWaalsContact O-CB 3.27Å; M94-R97 WeakPolarHBondContact O-CB 3.29Å; M94-R97 PolarHBondContact O-N 3.11Å |
| 95 | K | 88.4 | Confident | 85.6 | Confident | 163 Ų | 163 | 59.2 Ų | 59.2 | 71% | 0.709 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -57.4 | -37.6 | 174.1 | -177.2 | -179.1 | -179.7 | 178.9 | 0 | 112.5 | A91 N92 M93 | A91-K95 WeakPolarHBondContact O-CB 3.42Å; A91-K95 PolarHBondContact O-N 2.9Å; N92-K95 WeakPolarHBondContact O-CB 3.48Å; N92-K95 PolarHBondContact O-N 3.14Å; M93-K95 VanDerWaalsContact C-N 3.35Å |
| 96 | H | 88.7 | Confident | 86.1 | Confident | 32 Ų | 32 | 66.5 Ų | 66.5 | 15% | 0.148 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -96.4 | 0.4 | -179.2 | -65.7 | -60.5 | 0 | 0 | 0 | 114.1 | L59 N92 M93 M94 R99 L100 | L59-H96 HydrophobicContact CD1-CB 4.29Å; N92-H96 PolarHBondContact O-CD2 2.72Å; N92-H96 VanDerWaalsContact O-CD2 3.27Å; N92-H96 PolarHBondContact O-N 3.15Å; N92-H96 PolarHBondContact OD1-CD2 2.93Å; M93-H96 CarbonylContact O-C 3.59Å; M93-H96 PolarHBondContact O-N 3.13Å; M94-H96 PolarHBondContact O-N 3.18Å; H96-R99 PolarHBondContact O-N 2.82Å; H96-L100 HydrophobicContact CB-CD1 4.24Å; H96-L100 WeakPolarHBondContact O-CG 3.34Å; H96-L100 PolarHBondContact O-N 3.36Å; H96-L100 VanDerWaalsContact O-N 3.12Å |
| 97 | R | 88.1 | Confident | 86.9 | Confident | 84 Ų | 84 | 64.5 Ų | 64.5 | 32% | 0.317 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -53.5 | -46.8 | -176.4 | 179.8 | -178.9 | -178 | 145 | 0.5 | 114 | L77 M93 M94 R99 L100 Q101 | L77-R97 HydrophobicContact CD1-CG 4.34Å; L77-R97 HydrophobicContact CD2-CB 4.46Å; M93-R97 PolarHBondContact O-N 3.31Å; M94-R97 VanDerWaalsContact O-CB 3.27Å; M94-R97 WeakPolarHBondContact O-CB 3.29Å; M94-R97 PolarHBondContact O-N 3.11Å; R97-R99 VanDerWaalsContact C-N 3.29Å; R97-R99 PolarHBondContact O-N 3.43Å; R97-L100 PolarHBondContact O-N 3.27Å; R97-Q101 HydrophobicContact CG-CG 4.18Å; R97-Q101 VanDerWaalsContact NE-NE2 3.2Å; R97-Q101 WeakPolarHBondContact O-CB 3.15Å; R97-Q101 WeakPolarHBondContact O-CG 3.28Å; R97-Q101 PolarHBondContact O-N 3.14Å |
| 98 | P | 89.7 | Confident | 87.1 | Confident | 88 Ų | 88 | 63.9 Ų | 63.9 | 57% | 0.571 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -60.7 | -39.6 | -178.4 | -24.2 | 35 | 0 | 0 | 0 | 112.5 | Q101 A102 | P98-Q101 PolarHBondContact O-N 3.23Å; P98-A102 WeakPolarHBondContact O-CB 3.36Å; P98-A102 PolarHBondContact O-N 2.79Å |
| 99 | R | 89.3 | Confident | 87.6 | Confident | 123 Ų | 123 | 65.6 Ų | 65.6 | 46% | 0.464 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -66.2 | -42.5 | 177.5 | -177.2 | 178.5 | 178.4 | 174.2 | -1.1 | 111.8 | T57 H96 R97 A102 E103 | T57-R99 HydrophobicContact CG2-CG 4.28Å; T57-R99 PolarHBondContact O-NH2 3.21Å; H96-R99 PolarHBondContact O-N 2.82Å; R97-R99 VanDerWaalsContact C-N 3.29Å; R97-R99 PolarHBondContact O-N 3.43Å; R99-A102 PolarHBondContact O-N 3.45Å; R99-E103 PolarHBondContact O-N 3.06Å |
| 100 | L | 90.6 | Very high | 87.9 | Confident | 1 Ų | 1 | 68.6 Ų | 68.6 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.9 | -40.3 | 179.1 | -66 | 167.2 | 0 | 0 | 0 | 111.5 | I53 T57 L59 L74 L77 L78 H96 R97 E103 L104 | I53-L100 HydrophobicContact CG2-CD2 4.04Å; T57-L100 HydrophobicContact CG2-CD2 4Å; L59-L100 HydrophobicContact CD1-CD1 4.23Å; L59-L100 HydrophobicContact CD1-CD2 4.2Å; L59-L100 HydrophobicContact CD2-CD1 4.31Å; L59-L100 HydrophobicContact CD2-CD2 3.99Å; L74-L100 HydrophobicContact CD1-CB 4.23Å; L74-L100 HydrophobicContact CD1-CD1 3.77Å; L74-L100 HydrophobicContact CD1-CD2 3.82Å; L74-L100 HydrophobicContact CD1-CG 4.15Å; L77-L100 HydrophobicContact CD2-CD1 3.96Å; L78-L100 HydrophobicContact CD1-CB 4.22Å; L78-L100 HydrophobicContact CD2-CB 4.15Å; H96-L100 HydrophobicContact CB-CD1 4.24Å; H96-L100 WeakPolarHBondContact O-CG 3.34Å; H96-L100 PolarHBondContact O-N 3.36Å; H96-L100 VanDerWaalsContact O-N 3.12Å; R97-L100 PolarHBondContact O-N 3.27Å; L100-E103 PolarHBondContact O-N 3.26Å; L100-L104 PolarHBondContact O-N 3.24Å |
| 101 | Q | 90.2 | Very high | 87.9 | Confident | 84 Ų | 84 | 69.4 Ų | 69.4 | 39% | 0.393 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.3 | -41.5 | 174.4 | -73.5 | 178.3 | -36.8 | 0 | 0 | 112.1 | L78 R97 P98 E103 L104 A105 | L78-Q101 HydrophobicContact CD2-CG 3.67Å; R97-Q101 HydrophobicContact CG-CG 4.18Å; R97-Q101 VanDerWaalsContact NE-NE2 3.2Å; R97-Q101 WeakPolarHBondContact O-CB 3.15Å; R97-Q101 WeakPolarHBondContact O-CG 3.28Å; R97-Q101 PolarHBondContact O-N 3.14Å; P98-Q101 PolarHBondContact O-N 3.23Å; Q101-E103 VanDerWaalsContact C-N 3.35Å; Q101-E103 PolarHBondContact O-N 3.34Å; Q101-L104 PolarHBondContact O-N 3.12Å; Q101-A105 WeakPolarHBondContact O-CB 3.15Å; Q101-A105 PolarHBondContact O-N 2.67Å |
| 102 | A | 89.7 | Confident | 88 | Confident | 41 Ų | 41 | 75.7 Ų | 75.7 | 34% | 0.339 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.5 | -40.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | P98 R99 A105 R106 | P98-A102 WeakPolarHBondContact O-CB 3.36Å; P98-A102 PolarHBondContact O-N 2.79Å; R99-A102 PolarHBondContact O-N 3.45Å; A102-A105 PolarHBondContact O-N 2.89Å; A102-R106 WeakPolarHBondContact O-CG 3.4Å; A102-R106 PolarHBondContact O-N 3.15Å |
| 103 | E | 89.9 | Confident | 88 | Confident | 19 Ų | 19 | 75.3 Ų | 75.3 | 9% | 0.089 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -68.4 | -41.1 | 177.8 | -165.8 | 56.8 | -148.3 | 0 | 0 | 112.2 | I53 T57 R99 L100 Q101 A105 R106 M107 R110 | I53-E103 HydrophobicContact CG2-CB 4.48Å; T57-E103 HydrophobicContact CG2-CB 3.88Å; T57-E103 HydrophobicContact CG2-CG 4.05Å; R99-E103 PolarHBondContact O-N 3.06Å; L100-E103 PolarHBondContact O-N 3.26Å; Q101-E103 VanDerWaalsContact C-N 3.35Å; Q101-E103 PolarHBondContact O-N 3.34Å; E103-A105 VanDerWaalsContact C-N 3.32Å; E103-A105 PolarHBondContact O-N 3.46Å; E103-R106 PolarHBondContact O-N 3.19Å; E103-R106 IonicContact OE2-NH1 3.68Å; E103-R106 PolarHBondContact OE2-NH1 2.95Å; E103-M107 WeakPolarHBondContact O-CB 3.45Å; E103-M107 PolarHBondContact O-N 3.35Å; E103-R110 IonicContact OE1-NH2 2.74Å |
| 104 | L | 89.3 | Confident | 87.6 | Confident | 14 Ų | 14 | 79.9 Ų | 79.9 | 7% | 0.073 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -59.2 | -43.6 | 172.7 | -179.2 | 66.9 | 0 | 0 | 0 | 111.5 | I53 L78 L100 Q101 M107 K108 L119 | I53-L104 HydrophobicContact CD1-CB 4.27Å; I53-L104 HydrophobicContact CD1-CD1 3.77Å; L78-L104 HydrophobicContact CB-CD2 4.13Å; L78-L104 HydrophobicContact CD1-CB 4.36Å; L78-L104 HydrophobicContact CD1-CD2 4.28Å; L100-L104 PolarHBondContact O-N 3.24Å; Q101-L104 PolarHBondContact O-N 3.12Å; L104-M107 WeakPolarHBondContact O-CB 3.37Å; L104-M107 PolarHBondContact O-N 3.3Å; L104-K108 WeakPolarHBondContact O-CG 3.4Å; L104-K108 PolarHBondContact O-N 3Å; L104-L119 HydrophobicContact CD1-CD1 3.46Å; L104-L119 VanDerWaalsContact CD1-CD1 3.46Å |
| 105 | A | 88.6 | Confident | 87.3 | Confident | 51 Ų | 51 | 82.9 Ų | 82.9 | 42% | 0.421 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.7 | -43.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q101 A102 E103 M107 K108 V109 | Q101-A105 WeakPolarHBondContact O-CB 3.15Å; Q101-A105 PolarHBondContact O-N 2.67Å; A102-A105 PolarHBondContact O-N 2.89Å; E103-A105 VanDerWaalsContact C-N 3.32Å; E103-A105 PolarHBondContact O-N 3.46Å; A105-M107 VanDerWaalsContact C-N 3.31Å; A105-M107 PolarHBondContact O-N 3.42Å; A105-K108 WeakPolarHBondContact O-CB 3.44Å; A105-K108 PolarHBondContact O-N 3.41Å; A105-V109 WeakPolarHBondContact O-CG2 3.2Å; A105-V109 PolarHBondContact O-N 3.03Å |
| 106 | R | 89.5 | Confident | 87 | Confident | 157 Ų | 157 | 76.4 Ų | 76.4 | 59% | 0.592 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -61 | -40.2 | 174.3 | -73.7 | 172.1 | -176.6 | 166.9 | -2.7 | 112.1 | A102 E103 V109 R110 | A102-R106 WeakPolarHBondContact O-CG 3.4Å; A102-R106 PolarHBondContact O-N 3.15Å; E103-R106 PolarHBondContact O-N 3.19Å; E103-R106 IonicContact OE2-NH1 3.68Å; E103-R106 PolarHBondContact OE2-NH1 2.95Å; R106-V109 PolarHBondContact O-N 3.43Å; R106-R110 WeakPolarHBondContact O-CB 3.42Å; R106-R110 PolarHBondContact O-N 3.44Å |
| 107 | M | 87.2 | Confident | 86.3 | Confident | 0 Ų | 0 | 79.8 Ų | 79.8 | 0% | 0 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.5 | -42.6 | 177.4 | -170.4 | 178.3 | -65.2 | 0 | 0 | 111.8 | V49 E52 I53 E103 L104 A105 R110 R111 L119 | V49-M107 HydrophobicContact CG1-SD 3.79Å; E52-M107 HydrophobicContact CB-CE 3.84Å; E52-M107 HydrophobicContact CG-CE 3.6Å; I53-M107 HydrophobicContact CD1-CE 4.33Å; I53-M107 HydrophobicContact CG1-CE 3.49Å; I53-M107 VanDerWaalsContact CG1-CE 3.49Å; I53-M107 HydrophobicContact CG1-SD 4.35Å; E103-M107 WeakPolarHBondContact O-CB 3.45Å; E103-M107 PolarHBondContact O-N 3.35Å; L104-M107 WeakPolarHBondContact O-CB 3.37Å; L104-M107 PolarHBondContact O-N 3.3Å; A105-M107 VanDerWaalsContact C-N 3.31Å; A105-M107 PolarHBondContact O-N 3.42Å; M107-R110 PolarHBondContact O-N 3.24Å; M107-R111 WeakPolarHBondContact O-CB 3.46Å; M107-R111 WeakPolarHBondContact O-CG 3.39Å; M107-R111 PolarHBondContact O-N 3.1Å; M107-L119 HydrophobicContact CG-CD2 4.07Å |
| 108 | K | 86.3 | Confident | 85.7 | Confident | 42 Ų | 42 | 78.6 Ų | 78.6 | 18% | 0.183 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -58.1 | -46.7 | 173.2 | -75.9 | -175 | 173.2 | -167.8 | 0 | 112.7 | L104 A105 R111 K112 V113 S114 N116 L119 | L104-K108 WeakPolarHBondContact O-CG 3.4Å; L104-K108 PolarHBondContact O-N 3Å; A105-K108 WeakPolarHBondContact O-CB 3.44Å; A105-K108 PolarHBondContact O-N 3.41Å; K108-R111 CarbonylContact O-C 3.59Å; K108-R111 PolarHBondContact O-N 2.92Å; K108-K112 PolarHBondContact O-N 3.28Å; K108-V113 HydrophobicContact CB-CG2 4.25Å; K108-V113 WeakPolarHBondContact CB-O 3.41Å; K108-V113 HydrophobicContact CG-CG2 4.2Å; K108-V113 PolarHBondContact O-N 3.3Å; K108-S114 PolarHBondContact NZ-O 2.88Å; K108-N116 WeakPolarHBondContact CE-OD1 3.49Å; K108-N116 PolarHBondContact NZ-OD1 2.79Å; K108-L119 HydrophobicContact CB-CD2 4.49Å; K108-L119 HydrophobicContact CG-CD1 3.81Å; K108-L119 HydrophobicContact CG-CD2 3.85Å; K108-L119 HydrophobicContact CG-CG 4Å |
| 109 | V | 88.9 | Confident | 84.9 | Confident | 117 Ų | 117 | 74.4 Ų | 74.4 | 71% | 0.709 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -62.9 | -46 | 176.9 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | A105 R106 R111 K112 | A105-V109 WeakPolarHBondContact O-CG2 3.2Å; A105-V109 PolarHBondContact O-N 3.03Å; R106-V109 PolarHBondContact O-N 3.43Å; V109-R111 VanDerWaalsContact C-N 3.28Å; V109-R111 PolarHBondContact O-N 2.86Å; V109-K112 PolarHBondContact O-N 3.19Å |
| 110 | R | 87.1 | Confident | 83.9 | Confident | 147 Ų | 147 | 70.3 Ų | 70.3 | 56% | 0.555 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -58.8 | -39.7 | 178.7 | -167.5 | -170.6 | -57.9 | 148.2 | 4.3 | 112 | E52 E103 R106 M107 | E52-R110 IonicContact OE1-NH1 3.4Å; E52-R110 PolarHBondContact OE1-NH1 3.01Å; E103-R110 IonicContact OE1-NH2 2.74Å; R106-R110 WeakPolarHBondContact O-CB 3.42Å; R106-R110 PolarHBondContact O-N 3.44Å; M107-R110 PolarHBondContact O-N 3.24Å |
| 111 | R | 83.4 | Confident | 82.4 | Confident | 99 Ų | 99 | 74.3 Ų | 74.3 | 37% | 0.374 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | 0.9 | 179.1 | -63 | -175.5 | -174.4 | -163.6 | 1.1 | 113.6 | E52 M107 K108 V109 V113 L119 | E52-R111 IonicContact OE2-CZ 3.92Å; E52-R111 IonicContact OE2-NH2 3.14Å; E52-R111 PolarHBondContact OE2-NH2 2.92Å; M107-R111 WeakPolarHBondContact O-CB 3.46Å; M107-R111 WeakPolarHBondContact O-CG 3.39Å; M107-R111 PolarHBondContact O-N 3.1Å; K108-R111 CarbonylContact O-C 3.59Å; K108-R111 PolarHBondContact O-N 2.92Å; V109-R111 VanDerWaalsContact C-N 3.28Å; V109-R111 PolarHBondContact O-N 2.86Å; R111-V113 HydrophobicContact CB-CG2 4.22Å; R111-V113 PolarHBondContact O-N 3.12Å; R111-L119 PolarHBondContact NH1-O 3.24Å |
| 112 | K | 85.6 | Confident | 80.5 | Confident | 198 Ų | 198 | 75.1 Ų | 75.1 | 86% | 0.861 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 42.2 | -178.3 | -58 | -178.5 | 179 | 179.4 | 0 | 114 | K108 V109 | K108-K112 PolarHBondContact O-N 3.28Å; V109-K112 PolarHBondContact O-N 3.19Å |
| 113 | V | 84.3 | Confident | 78.5 | Confident | 37 Ų | 37 | 74.9 Ų | 74.9 | 22% | 0.224 | 39% | 0.39 | C | S | . | . | trans | -121.8 | 150.9 | -180 | -63.1 | 0 | 0 | 0 | 0 | 112.4 | K108 R111 D118 L119 | K108-V113 HydrophobicContact CB-CG2 4.25Å; K108-V113 WeakPolarHBondContact CB-O 3.41Å; K108-V113 HydrophobicContact CG-CG2 4.2Å; K108-V113 PolarHBondContact O-N 3.3Å; R111-V113 HydrophobicContact CB-CG2 4.22Å; R111-V113 PolarHBondContact O-N 3.12Å; V113-D118 HydrophobicContact CB-CB 3.68Å; V113-D118 HydrophobicContact CG1-CB 3.77Å; V113-D118 HydrophobicContact CG2-CB 4.38Å; V113-L119 HydrophobicContact CG2-CD2 3.55Å; V113-L119 HydrophobicContact CG2-CG 3.9Å | ||
| 114 | S | 79.1 | Confident | 76.6 | Confident | 97 Ų | 97 | 75.8 Ų | 75.8 | 68% | 0.678 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -101.3 | -42.5 | -178.5 | 56.3 | 0 | 0 | 0 | 0 | 112.8 | K108 | K108-S114 PolarHBondContact NZ-O 2.88Š|
| 115 | R | 80.1 | Confident | 74.9 | Confident | 147 Ų | 147 | 77.6 Ų | 77.6 | 56% | 0.555 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -92.1 | 162.2 | -178.4 | -45.8 | 179.8 | -64.7 | 170.9 | 6.2 | 111.9 | E117 D118 | R115-E117 VanDerWaalsContact C-N 3.34Å; R115-E117 WeakPolarHBondContact CB-OE2 3.2Å; R115-D118 VanDerWaalsContact CB-OD2 3.25Å; R115-D118 WeakPolarHBondContact CB-OD2 3.34Å; R115-D118 WeakPolarHBondContact CG-OD2 3.41Å; R115-D118 IonicContact CZ-OD1 3.63Å; R115-D118 IonicContact CZ-OD2 2.71Å; R115-D118 PolarHBondContact N-OD2 2.82Å; R115-D118 IonicContact NE-OD1 3.35Å; R115-D118 PolarHBondContact NE-OD1 2.98Å; R115-D118 IonicContact NE-OD2 3.44Å; R115-D118 PolarHBondContact NE-OD2 3.17Å; R115-D118 IonicContact NH2-OD1 3.57Å; R115-D118 PolarHBondContact NH2-OD1 3Å; R115-D118 IonicContact NH2-OD2 2.69Å |
| 116 | N | 80.9 | Confident | 73 | Confident | 27 Ų | 27 | 76.2 Ų | 76.2 | 14% | 0.144 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -70.1 | -37 | 179.1 | -75.6 | -12.3 | 0 | 0 | 0 | 110.6 | F46 I79 K108 D118 L119 | F46-N116 WeakPolarHBondContact CE1-O 3.49Å; I79-N116 HydrophobicContact CG2-CB 4.46Å; K108-N116 WeakPolarHBondContact CE-OD1 3.49Å; K108-N116 PolarHBondContact NZ-OD1 2.79Å; N116-D118 PolarHBondContact O-N 2.84Å; N116-L119 VanDerWaalsContact O-CB 3.23Å; N116-L119 WeakPolarHBondContact O-CB 3.46Å; N116-L119 PolarHBondContact O-N 2.83Å |
| 117 | E | 74.4 | Confident | 71.4 | Confident | 103 Ų | 103 | 72.5 Ų | 72.5 | 48% | 0.481 | 39% | 0.392 | S | S | . | . | G | 310 helix | trans | -63.7 | -31 | -177.7 | -58.4 | 71.3 | -151.2 | 0 | 0 | 111.3 | R115 L119 L120 | R115-E117 VanDerWaalsContact C-N 3.34Å; R115-E117 WeakPolarHBondContact CB-OE2 3.2Å; E117-L119 PolarHBondContact O-N 3.21Å; E117-L120 VanDerWaalsContact O-CB 3.25Å; E117-L120 WeakPolarHBondContact O-CB 3.47Å; E117-L120 WeakPolarHBondContact O-CG 3.29Å; E117-L120 PolarHBondContact O-N 2.97Å |
| 118 | D | 75.1 | Confident | 70.6 | Confident | 58 Ų | 58 | 79.3 Ų | 79.3 | 31% | 0.31 | 42% | 0.424 | S | S | . | . | G | 310 helix | trans | -74.6 | -11.3 | 178.4 | -55.2 | -32.7 | 0 | 0 | 0 | 112.2 | V113 R115 N116 L120 | V113-D118 HydrophobicContact CB-CB 3.68Å; V113-D118 HydrophobicContact CG1-CB 3.77Å; V113-D118 HydrophobicContact CG2-CB 4.38Å; R115-D118 VanDerWaalsContact CB-OD2 3.25Å; R115-D118 WeakPolarHBondContact CB-OD2 3.34Å; R115-D118 WeakPolarHBondContact CG-OD2 3.41Å; R115-D118 IonicContact CZ-OD1 3.63Å; R115-D118 IonicContact CZ-OD2 2.71Å; R115-D118 PolarHBondContact N-OD2 2.82Å; R115-D118 IonicContact NE-OD1 3.35Å; R115-D118 PolarHBondContact NE-OD1 2.98Å; R115-D118 IonicContact NE-OD2 3.44Å; R115-D118 PolarHBondContact NE-OD2 3.17Å; R115-D118 IonicContact NH2-OD1 3.57Å; R115-D118 PolarHBondContact NH2-OD1 3Å; R115-D118 IonicContact NH2-OD2 2.69Å; N116-D118 PolarHBondContact O-N 2.84Å; D118-L120 VanDerWaalsContact C-N 3.29Å |
| 119 | L | 73.3 | Confident | 70.4 | Confident | 1 Ų | 1 | 78 Ų | 78 | 1% | 0.005 | 42% | 0.419 | C | S | . | . | G | 310 helix | trans | -75.7 | -21 | 170.4 | -68.7 | 167.2 | 0 | 0 | 0 | 112.6 | V49 L104 M107 K108 R111 V113 N116 E117 | V49-L119 HydrophobicContact CG1-CB 4.44Å; V49-L119 HydrophobicContact CG1-CD1 4.32Å; V49-L119 HydrophobicContact CG2-CB 4.2Å; L104-L119 HydrophobicContact CD1-CD1 3.46Å; L104-L119 VanDerWaalsContact CD1-CD1 3.46Å; M107-L119 HydrophobicContact CG-CD2 4.07Å; K108-L119 HydrophobicContact CB-CD2 4.49Å; K108-L119 HydrophobicContact CG-CD1 3.81Å; K108-L119 HydrophobicContact CG-CD2 3.85Å; K108-L119 HydrophobicContact CG-CG 4Å; R111-L119 PolarHBondContact NH1-O 3.24Å; V113-L119 HydrophobicContact CG2-CD2 3.55Å; V113-L119 HydrophobicContact CG2-CG 3.9Å; N116-L119 VanDerWaalsContact O-CB 3.23Å; N116-L119 WeakPolarHBondContact O-CB 3.46Å; N116-L119 PolarHBondContact O-N 2.83Å; E117-L119 PolarHBondContact O-N 3.21Å |
| 120 | L | 67.8 | Low | 70.5 | Confident | 37 Ų | 37 | 72.8 Ų | 72.8 | 19% | 0.194 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -63.9 | 147.7 | 170.8 | -60.5 | 173.1 | 0 | 0 | 0 | 108 | K45 F46 E117 D118 A122 | K45-L120 VanDerWaalsContact O-CD2 3.24Å; K45-L120 WeakPolarHBondContact O-CD2 3.26Å; F46-L120 HydrophobicContact CB-CD2 4.4Å; F46-L120 HydrophobicContact CD1-CD2 3.41Å; F46-L120 VanDerWaalsContact CD1-CD2 3.41Å; F46-L120 HydrophobicContact CD1-CG 4.01Å; F46-L120 HydrophobicContact CD2-CD2 4.1Å; F46-L120 HydrophobicContact CE1-CD1 3.99Å; F46-L120 HydrophobicContact CE1-CD2 3.54Å; F46-L120 HydrophobicContact CE1-CG 3.58Å; F46-L120 HydrophobicContact CE2-CD1 4.04Å; F46-L120 HydrophobicContact CE2-CD2 4.21Å; F46-L120 HydrophobicContact CE2-CG 4.43Å; F46-L120 HydrophobicContact CG-CD2 3.72Å; F46-L120 HydrophobicContact CZ-CD1 3.67Å; F46-L120 HydrophobicContact CZ-CD2 3.95Å; F46-L120 HydrophobicContact CZ-CG 3.82Å; E117-L120 VanDerWaalsContact O-CB 3.25Å; E117-L120 WeakPolarHBondContact O-CB 3.47Å; E117-L120 WeakPolarHBondContact O-CG 3.29Å; E117-L120 PolarHBondContact O-N 2.97Å; D118-L120 VanDerWaalsContact C-N 3.29Å; L120-A122 PolarHBondContact O-N 3.39Å |
| 121 | P | 58.9 | Low | 70.7 | Confident | 85 Ų | 85 | 70.6 Ų | 70.6 | 55% | 0.552 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -48.7 | 139.5 | 163.8 | 22.4 | -30.9 | 0 | 0 | 0 | 108.1 | G123 | P121-G123 WeakPolarHBondContact O-CA 3.49Å; P121-G123 PolarHBondContact O-N 3.46Å |
| 122 | A | 51.6 | Low | 71.2 | Confident | 100 Ų | 100 | 66.2 Ų | 66.2 | 83% | 0.826 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -34.8 | 117.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | L120 | L120-A122 PolarHBondContact O-N 3.39Š|
| 123 | G | 48.3 | Very low | 71.8 | Confident | 36 Ų | 36 | 56.9 Ų | 56.9 | 37% | 0.371 | 32% | 0.322 | S | S | . | . | trans | -38 | 137.7 | -153.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | P121 | P121-G123 WeakPolarHBondContact O-CA 3.49Å; P121-G123 PolarHBondContact O-N 3.46Å | ||
| 124 | S | 49.5 | Very low | 72.5 | Confident | 38 Ų | 38 | 55.1 Ų | 55.1 | 27% | 0.266 | 31% | 0.312 | S | S | . | . | trans | -43.7 | 131.9 | -177.6 | 77.4 | 0 | 0 | 0 | 0 | 108.4 | A126 D127 | S124-A126 PolarHBondContact O-N 3.26Å; S124-A126 WeakPolarHBondContact OG-CB 3.48Å; S124-D127 PolarHBondContact O-N 3.2Å; S124-D127 PolarHBondContact OG-OD2 3.35Å | ||
| 125 | P | 52.4 | Low | 73.4 | Confident | 52 Ų | 52 | 50.6 Ų | 50.6 | 34% | 0.338 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -50.6 | -21.8 | -178.3 | -28.1 | 32.3 | 0 | 0 | 0 | 112.6 | Q128 L129 V308 T399 | P125-Q128 PolarHBondContact O-N 3Å; P125-L129 WeakPolarHBondContact O-CG 3.12Å; P125-L129 PolarHBondContact O-N 2.83Å; P125-V308 HydrophobicContact CB-CG1 4.16Å; P125-V308 HydrophobicContact CG-CG1 4.39Å; P125-T399 HydrophobicContact CB-CG2 3.97Å |
| 126 | A | 49.4 | Very low | 74.2 | Confident | 23 Ų | 23 | 43.6 Ų | 43.6 | 19% | 0.19 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -59.2 | -40.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | S124 Q128 L129 V308 | S124-A126 PolarHBondContact O-N 3.26Å; S124-A126 WeakPolarHBondContact OG-CB 3.48Å; A126-Q128 PolarHBondContact O-N 2.86Å; A126-L129 PolarHBondContact O-N 2.91Å; A126-V308 HydrophobicContact CB-CB 3.57Å; A126-V308 HydrophobicContact CB-CG1 3.54Å; A126-V308 HydrophobicContact CB-CG2 4.37Å; A126-V308 VanDerWaalsContact N-CG1 3.33Å |
| 127 | D | 55.9 | Low | 75.1 | Confident | 79 Ų | 79 | 45.1 Ų | 45.1 | 42% | 0.422 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -74.3 | -10.9 | -175.1 | -66.9 | -44 | 0 | 0 | 0 | 111.9 | S124 P187 | S124-D127 PolarHBondContact O-N 3.2Å; S124-D127 PolarHBondContact OG-OD2 3.35Å; D127-P187 WeakPolarHBondContact O-CB 3.13Å |
| 128 | Q | 70 | Confident | 76.2 | Confident | 142 Ų | 142 | 42.3 Ų | 42.3 | 66% | 0.664 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -105.3 | -10.2 | 176.6 | -60.6 | -179.9 | 5.9 | 0 | 0 | 112.9 | P125 A126 | P125-Q128 PolarHBondContact O-N 3Å; A126-Q128 PolarHBondContact O-N 2.86Å |
| 129 | L | 83.3 | Confident | 77.3 | Confident | 14 Ų | 14 | 44.1 Ų | 44.1 | 7% | 0.073 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -71.2 | 134.6 | -179.1 | -69.4 | -177.4 | 0 | 0 | 0 | 110.9 | P125 A126 P187 V308 T399 | P125-L129 WeakPolarHBondContact O-CG 3.12Å; P125-L129 PolarHBondContact O-N 2.83Å; A126-L129 PolarHBondContact O-N 2.91Å; L129-P187 WeakPolarHBondContact O-CA 3.28Å; L129-P187 VanDerWaalsContact O-CB 3.23Å; L129-P187 WeakPolarHBondContact O-CB 3.38Å; L129-P187 VanDerWaalsContact O-CG 3.3Å; L129-P187 WeakPolarHBondContact O-CG 3.36Å; L129-V308 HydrophobicContact CD1-CG2 4.13Å; L129-T399 HydrophobicContact CD1-CG2 4.25Å; L129-T399 HydrophobicContact CD2-CG2 4.38Å |
| 130 | P | 89.4 | Confident | 78.5 | Confident | 9 Ų | 9 | 45 Ų | 45 | 6% | 0.058 | 26% | 0.263 | C | S | . | . | trans | -53.8 | 144.2 | 170.7 | -24.3 | 33.3 | 0 | 0 | 0 | 111.8 | Y132 L166 A184 F185 | P130-Y132 HydrophobicContact CB-CE1 4.34Å; P130-Y132 HydrophobicContact CB-CE2 4.21Å; P130-Y132 WeakPolarHBondContact O-CD2 3.27Å; P130-Y132 PolarHBondContact O-N 2.95Å; P130-L166 HydrophobicContact CG-CB 4.04Å; P130-L166 HydrophobicContact CG-CD2 4.46Å; P130-A184 HydrophobicContact CB-CB 4.33Å; P130-F185 CarbonylContact C-O 3.57Å; P130-F185 WeakPolarHBondContact CA-O 3.46Å | ||
| 131 | R | 91.4 | Very high | 79.9 | Confident | 101 Ų | 101 | 46.4 Ų | 46.4 | 38% | 0.381 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 106.6 | 169.1 | 174.7 | 67.5 | 61.8 | -125.5 | -13.4 | 108.2 | V133 F185 P187 T189 | R131-V133 HydrophobicContact CG-CG2 4.25Å; R131-F185 HydrophobicContact CB-CB 4.11Å; R131-F185 PolarHBondContact N-O 2.59Å; R131-F185 PolarHBondContact O-N 2.97Å; R131-P187 PolarHBondContact NH2-O 2.98Å; R131-T189 PolarHBondContact NE-O 2.95Å |
| 132 | Y | 95.2 | Very high | 81.8 | Confident | 7 Ų | 7 | 43.5 Ų | 43.5 | 3% | 0.027 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 137.8 | 172.7 | -61.5 | -74.4 | 0 | 0 | 0 | 112.1 | P130 V182 L183 A184 Q205 K207 L403 T404 | P130-Y132 HydrophobicContact CB-CE1 4.34Å; P130-Y132 HydrophobicContact CB-CE2 4.21Å; P130-Y132 WeakPolarHBondContact O-CD2 3.27Å; P130-Y132 PolarHBondContact O-N 2.95Å; Y132-V182 HydrophobicContact CD1-CG1 3.84Å; Y132-V182 HydrophobicContact CG-CG1 4.41Å; Y132-L183 WeakPolarHBondContact CA-O 3.49Å; Y132-A184 HydrophobicContact CD1-CB 4Å; Y132-A184 HydrophobicContact CE1-CB 3.89Å; Y132-Q205 VanDerWaalsContact CB-O 3.32Å; Y132-Q205 WeakPolarHBondContact CB-O 3.48Å; Y132-K207 HydrophobicContact CD1-CB 3.67Å; Y132-K207 HydrophobicContact CD1-CD 4.39Å; Y132-K207 HydrophobicContact CD2-CB 3.81Å; Y132-K207 HydrophobicContact CE1-CB 3.76Å; Y132-K207 HydrophobicContact CE1-CD 3.75Å; Y132-K207 HydrophobicContact CE1-CG 4.37Å; Y132-K207 HydrophobicContact CE2-CB 3.91Å; Y132-K207 HydrophobicContact CG-CB 3.68Å; Y132-L403 WeakPolarHBondContact CE2-O 3.39Å; Y132-L403 PolarHBondContact OH-O 2.66Å; Y132-T404 HydrophobicContact CE2-CG2 4.04Å |
| 133 | V | 97.3 | Very high | 84 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 120.7 | 178.8 | -179 | 0 | 0 | 0 | 0 | 107.9 | R131 L183 F185 F191 I202 L204 | R131-V133 HydrophobicContact CG-CG2 4.25Å; V133-L183 PolarHBondContact N-O 2.87Å; V133-L183 PolarHBondContact O-N 3.34Å; V133-F185 HydrophobicContact CB-CD2 4.25Å; V133-F185 HydrophobicContact CB-CE2 3.86Å; V133-F185 HydrophobicContact CG2-CD2 3.68Å; V133-F185 HydrophobicContact CG2-CE2 3.67Å; V133-F191 HydrophobicContact CG2-CD2 3.79Å; V133-F191 HydrophobicContact CG2-CE2 3.9Å; V133-I202 HydrophobicContact CG1-CB 3.5Å; V133-I202 HydrophobicContact CG1-CD1 3.86Å; V133-I202 HydrophobicContact CG1-CG1 4.12Å; V133-I202 HydrophobicContact CG1-CG2 3.9Å; V133-L204 HydrophobicContact CG1-CD2 4.36Å; V133-L204 HydrophobicContact CG2-CD2 3.78Å |
| 134 | R | 98.3 | Very high | 86.3 | Confident | 1 Ų | 1 | 50 Ų | 50 | 0% | 0.004 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 129 | 173.7 | -178 | 173.5 | 55.9 | 80.1 | -3.6 | 110.2 | E181 V182 I202 I203 Q205 N233 S236 | R134-E181 CarbonylContact C-O 3.58Å; R134-E181 WeakPolarHBondContact CA-O 3.47Å; R134-V182 HydrophobicContact CB-CG2 4.45Å; R134-I202 CarbonylContact O-C 3.59Å; R134-I202 WeakPolarHBondContact O-CA 3.49Å; R134-I203 PolarHBondContact N-O 2.92Å; R134-I203 VanDerWaalsContact NH2-CD1 3.29Å; R134-I203 PolarHBondContact O-N 2.83Å; R134-Q205 VanDerWaalsContact NH2-OE1 3.09Å; R134-N233 PolarHBondContact NH2-O 3.14Å; R134-S236 PolarHBondContact NH2-OG 3.47Å |
| 135 | V | 98.5 | Very high | 88.6 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 134.5 | 171.4 | -177.6 | 0 | 0 | 0 | 0 | 109.2 | T137 T140 V142 T145 E181 L183 | V135-T137 PolarHBondContact O-N 2.89Å; V135-T140 HydrophobicContact CG1-CG2 3.7Å; V135-V142 HydrophobicContact CB-CG2 4.43Å; V135-V142 HydrophobicContact CG1-CG2 4.5Å; V135-V142 HydrophobicContact CG2-CG2 4.45Å; V135-T145 WeakPolarHBondContact CG1-OG1 3.2Å; V135-T145 HydrophobicContact CG2-CG2 4.19Å; V135-E181 PolarHBondContact N-O 3.29Å; V135-L183 HydrophobicContact CG2-CD1 3.87Å; V135-L183 HydrophobicContact CG2-CG 4.11Å |
| 136 | N | 98.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | -91.5 | 96.3 | 178.1 | -178.4 | 14.6 | 0 | 0 | 0 | 110.8 | L138 K139 T140 G200 H201 I203 A268 | N136-L138 PolarHBondContact O-N 3.22Å; N136-L138 VanDerWaalsContact O-N 3.07Å; N136-L138 WeakPolarHBondContact OD1-CB 3.16Å; N136-L138 PolarHBondContact OD1-N 3.32Å; N136-K139 PolarHBondContact O-N 3.45Å; N136-T140 PolarHBondContact O-N 2.92Å; N136-T140 VanDerWaalsContact O-N 3.12Å; N136-G200 WeakPolarHBondContact CB-O 3.29Å; N136-G200 PolarHBondContact ND2-O 3.15Å; N136-H201 WeakPolarHBondContact CB-O 3.34Å; N136-H201 PolarHBondContact N-O 3.14Å; N136-I203 HydrophobicContact CB-CD1 4.41Å; N136-A268 PolarHBondContact ND2-O 3Å | ||
| 137 | T | 98.2 | Very high | 93.1 | Very high | 60 Ų | 60 | 47.5 Ų | 47.5 | 37% | 0.368 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -8.3 | -179.5 | 54.3 | 0 | 0 | 0 | 0 | 115.1 | V135 K139 T140 E181 | V135-T137 PolarHBondContact O-N 2.89Å; T137-K139 VanDerWaalsContact C-N 3.3Å; T137-T140 VanDerWaalsContact CA-O 3.32Å; T137-T140 WeakPolarHBondContact CA-O 3.44Å; T137-E181 HydrophobicContact CG2-CG 3.95Å; T137-E181 WeakPolarHBondContact CG2-OE2 3.32Å |
| 138 | L | 97.9 | Very high | 95.1 | Very high | 44 Ų | 44 | 47.5 Ų | 47.5 | 23% | 0.23 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -22.4 | 170.1 | -64.9 | 176.2 | 0 | 0 | 0 | 113.1 | N136 A239 A240 N244 V270 | N136-L138 PolarHBondContact O-N 3.22Å; N136-L138 VanDerWaalsContact O-N 3.07Å; N136-L138 WeakPolarHBondContact OD1-CB 3.16Å; N136-L138 PolarHBondContact OD1-N 3.32Å; L138-A239 HydrophobicContact CD1-CB 4.36Å; L138-A240 HydrophobicContact CD1-CB 4.39Å; L138-A240 HydrophobicContact CG-CB 4Å; L138-N244 HydrophobicContact CD2-CB 4.18Å; L138-V270 HydrophobicContact CD1-CG2 3.84Å |
| 139 | K | 98.1 | Very high | 96.4 | Very high | 95 Ų | 95 | 40.9 Ų | 40.9 | 41% | 0.413 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -123.5 | -24.5 | -171.3 | -61.5 | -169 | 72 | 165.7 | 0 | 114.3 | N136 T137 A199 R267 | N136-K139 PolarHBondContact O-N 3.45Å; T137-K139 VanDerWaalsContact C-N 3.3Å; K139-A199 WeakPolarHBondContact CE-O 3.49Å; K139-A199 PolarHBondContact NZ-O 3.04Å; K139-R267 PolarHBondContact NZ-O 3.5Å |
| 140 | T | 98.2 | Very high | 97 | Very high | 20 Ų | 20 | 45.3 Ų | 45.3 | 12% | 0.123 | 21% | 0.212 | C | C | . | . | trans | -150.8 | 173.7 | -175 | -169.8 | 0 | 0 | 0 | 0 | 109.9 | V135 N136 T137 T145 H201 | V135-T140 HydrophobicContact CG1-CG2 3.7Å; N136-T140 PolarHBondContact O-N 2.92Å; N136-T140 VanDerWaalsContact O-N 3.12Å; T137-T140 VanDerWaalsContact CA-O 3.32Å; T137-T140 WeakPolarHBondContact CA-O 3.44Å; T140-T145 WeakPolarHBondContact CG2-OG1 3.06Å; T140-T145 PolarHBondContact OG1-OG1 3.37Å; T140-H201 HydrophobicContact CG2-CB 3.89Å; T140-H201 WeakPolarHBondContact CG2-O 3.4Å | ||
| 141 | T | 98.3 | Very high | 97.4 | Very high | 66 Ų | 66 | 55.3 Ų | 55.3 | 41% | 0.405 | 25% | 0.249 | S | C | . | . | trans | -107.8 | 163.5 | 169.1 | 71.9 | 0 | 0 | 0 | 0 | 111.1 | R143 D144 T145 | T141-R143 VanDerWaalsContact C-N 3.26Å; T141-R143 PolarHBondContact O-N 3.35Å; T141-D144 PolarHBondContact O-N 3.31Å; T141-D144 PolarHBondContact OG1-N 3.01Å; T141-D144 VanDerWaalsContact OG1-N 3.09Å; T141-D144 PolarHBondContact OG1-OD2 3.5Å; T141-T145 WeakPolarHBondContact O-CB 3.49Å; T141-T145 PolarHBondContact O-N 3.37Å; T141-T145 VanDerWaalsContact O-N 3.08Å; T141-T145 PolarHBondContact O-OG1 3.05Å | ||
| 142 | V | 97.8 | Very high | 97.5 | Very high | 25 Ų | 25 | 54 Ų | 54 | 15% | 0.152 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56.5 | -45.9 | 171.4 | -177.3 | 0 | 0 | 0 | 0 | 110.2 | V135 D144 T145 V146 L175 E181 | V135-V142 HydrophobicContact CB-CG2 4.43Å; V135-V142 HydrophobicContact CG1-CG2 4.5Å; V135-V142 HydrophobicContact CG2-CG2 4.45Å; V142-D144 PolarHBondContact O-N 3.41Å; V142-T145 WeakPolarHBondContact O-CB 3.39Å; V142-T145 PolarHBondContact O-N 2.75Å; V142-V146 HydrophobicContact CG1-CG2 4.13Å; V142-V146 WeakPolarHBondContact O-CB 3.22Å; V142-V146 VanDerWaalsContact O-CG2 3.26Å; V142-V146 WeakPolarHBondContact O-CG2 3.39Å; V142-V146 PolarHBondContact O-N 3.36Å; V142-L175 HydrophobicContact CG1-CD1 3.76Å; V142-E181 WeakPolarHBondContact CG2-OE2 3.31Å |
| 143 | R | 97.7 | Very high | 97.5 | Very high | 187 Ų | 187 | 55.9 Ų | 55.9 | 71% | 0.706 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -57 | -52.1 | -179.7 | -178.6 | -180 | 178 | 172.2 | 1.1 | 111.6 | T141 T145 V146 D147 | T141-R143 VanDerWaalsContact C-N 3.26Å; T141-R143 PolarHBondContact O-N 3.35Å; R143-T145 VanDerWaalsContact C-N 3.25Å; R143-T145 PolarHBondContact O-N 3.06Å; R143-V146 PolarHBondContact O-N 2.81Å; R143-D147 WeakPolarHBondContact O-CB 3.41Å; R143-D147 PolarHBondContact O-N 2.81Å |
| 144 | D | 98 | Very high | 97.4 | Very high | 84 Ų | 84 | 57.2 Ų | 57.2 | 45% | 0.449 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.5 | -36.1 | -179.2 | -58.8 | -37.1 | 0 | 0 | 0 | 111.7 | T141 V142 Y148 | T141-D144 PolarHBondContact O-N 3.31Å; T141-D144 PolarHBondContact OG1-N 3.01Å; T141-D144 VanDerWaalsContact OG1-N 3.09Å; T141-D144 PolarHBondContact OG1-OD2 3.5Å; V142-D144 PolarHBondContact O-N 3.41Å; D144-Y148 VanDerWaalsContact O-CB 3.28Å; D144-Y148 WeakPolarHBondContact O-CB 3.35Å; D144-Y148 PolarHBondContact O-N 2.93Å |
| 145 | T | 97.8 | Very high | 97.2 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.006 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.5 | -44.7 | 177 | -53.4 | 0 | 0 | 0 | 0 | 111.1 | V135 T140 T141 V142 R143 Y148 L149 L183 L196 I202 | V135-T145 WeakPolarHBondContact CG1-OG1 3.2Å; V135-T145 HydrophobicContact CG2-CG2 4.19Å; T140-T145 WeakPolarHBondContact CG2-OG1 3.06Å; T140-T145 PolarHBondContact OG1-OG1 3.37Å; T141-T145 WeakPolarHBondContact O-CB 3.49Å; T141-T145 PolarHBondContact O-N 3.37Å; T141-T145 VanDerWaalsContact O-N 3.08Å; T141-T145 PolarHBondContact O-OG1 3.05Å; V142-T145 WeakPolarHBondContact O-CB 3.39Å; V142-T145 PolarHBondContact O-N 2.75Å; R143-T145 VanDerWaalsContact C-N 3.25Å; R143-T145 PolarHBondContact O-N 3.06Å; T145-Y148 PolarHBondContact O-N 2.82Å; T145-L149 HydrophobicContact CG2-CD1 4.19Å; T145-L149 VanDerWaalsContact O-CG 3.29Å; T145-L149 WeakPolarHBondContact O-CG 3.45Å; T145-L149 PolarHBondContact O-N 2.81Å; T145-L183 HydrophobicContact CG2-CD1 4.08Å; T145-L196 HydrophobicContact CG2-CD1 4.06Å; T145-I202 HydrophobicContact CG2-CG2 3.89Å |
| 146 | V | 97.8 | Very high | 97.1 | Very high | 9 Ų | 9 | 63.5 Ų | 63.5 | 6% | 0.055 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.6 | -47.7 | 175.4 | 169 | 0 | 0 | 0 | 0 | 110.4 | V142 R143 Y148 L149 K150 Y156 F173 L183 | V142-V146 HydrophobicContact CG1-CG2 4.13Å; V142-V146 WeakPolarHBondContact O-CB 3.22Å; V142-V146 VanDerWaalsContact O-CG2 3.26Å; V142-V146 WeakPolarHBondContact O-CG2 3.39Å; V142-V146 PolarHBondContact O-N 3.36Å; R143-V146 PolarHBondContact O-N 2.81Å; V146-Y148 VanDerWaalsContact C-N 3.33Å; V146-Y148 PolarHBondContact O-N 2.92Å; V146-L149 PolarHBondContact O-N 2.83Å; V146-K150 HydrophobicContact CG1-CD 3.93Å; V146-K150 HydrophobicContact CG1-CG 4.45Å; V146-K150 VanDerWaalsContact O-CG 3.31Å; V146-K150 WeakPolarHBondContact O-CG 3.36Å; V146-K150 PolarHBondContact O-N 2.91Å; V146-Y156 HydrophobicContact CG1-CD1 3.71Å; V146-Y156 HydrophobicContact CG1-CD2 3.97Å; V146-Y156 HydrophobicContact CG1-CE1 4.07Å; V146-Y156 HydrophobicContact CG1-CE2 4.32Å; V146-Y156 HydrophobicContact CG1-CG 3.65Å; V146-Y156 HydrophobicContact CG2-CD2 4.35Å; V146-Y156 HydrophobicContact CG2-CE2 4.12Å; V146-F173 HydrophobicContact CB-CE2 4.46Å; V146-F173 HydrophobicContact CB-CZ 4.47Å; V146-F173 HydrophobicContact CG1-CE2 4.41Å; V146-F173 HydrophobicContact CG1-CZ 4.11Å; V146-F173 HydrophobicContact CG2-CE2 4.04Å; V146-L183 HydrophobicContact CG2-CD2 4.21Å |
| 147 | D | 97.8 | Very high | 96.8 | Very high | 52 Ų | 52 | 68.1 Ų | 68.1 | 28% | 0.278 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.5 | -38.6 | 180 | -74.9 | -23.8 | 0 | 0 | 0 | 112 | R143 R151 | R143-D147 WeakPolarHBondContact O-CB 3.41Å; R143-D147 PolarHBondContact O-N 2.81Å; D147-R151 WeakPolarHBondContact O-CG 3.39Å; D147-R151 PolarHBondContact O-N 2.87Å |
| 148 | Y | 97.8 | Very high | 96.5 | Very high | 79 Ų | 79 | 66.2 Ų | 66.2 | 31% | 0.31 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.5 | -49 | 174.1 | -176.3 | -84 | 0 | 0 | 0 | 111.6 | D144 T145 V146 K150 R151 E152 H194 L196 | D144-Y148 VanDerWaalsContact O-CB 3.28Å; D144-Y148 WeakPolarHBondContact O-CB 3.35Å; D144-Y148 PolarHBondContact O-N 2.93Å; T145-Y148 PolarHBondContact O-N 2.82Å; V146-Y148 VanDerWaalsContact C-N 3.33Å; V146-Y148 PolarHBondContact O-N 2.92Å; Y148-K150 VanDerWaalsContact C-N 3.32Å; Y148-K150 PolarHBondContact O-N 3.5Å; Y148-R151 WeakPolarHBondContact O-CB 3.48Å; Y148-R151 PolarHBondContact O-N 3.33Å; Y148-R151 VanDerWaalsContact O-N 3.15Å; Y148-E152 HydrophobicContact CE1-CG 4.09Å; Y148-E152 VanDerWaalsContact CE1-OE1 3.27Å; Y148-E152 WeakPolarHBondContact CE1-OE1 3.37Å; Y148-E152 WeakPolarHBondContact CE1-OE2 3.39Å; Y148-E152 PolarHBondContact O-N 2.83Å; Y148-E152 PolarHBondContact OH-OE1 2.9Å; Y148-H194 AromaticContact CE1-CE1 3.85Å; Y148-L196 HydrophobicContact CD1-CD1 3.62Å; Y148-L196 HydrophobicContact CD1-CD2 3.91Å; Y148-L196 HydrophobicContact CD1-CG 3.81Å; Y148-L196 HydrophobicContact CE1-CD1 4.05Å; Y148-L196 HydrophobicContact CE1-CD2 4.09Å; Y148-L196 HydrophobicContact CE1-CG 3.82Å; Y148-L196 HydrophobicContact CG-CD1 4.43Å; Y148-L196 HydrophobicContact CG-CD2 4.17Å |
| 149 | L | 97 | Very high | 96.2 | Very high | 2 Ų | 2 | 69.4 Ų | 69.4 | 1% | 0.01 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.7 | -37.5 | 179.5 | -71 | 167.9 | 0 | 0 | 0 | 112.2 | T145 V146 R151 E152 G153 F154 F173 L183 F185 F191 L196 | T145-L149 HydrophobicContact CG2-CD1 4.19Å; T145-L149 VanDerWaalsContact O-CG 3.29Å; T145-L149 WeakPolarHBondContact O-CG 3.45Å; T145-L149 PolarHBondContact O-N 2.81Å; V146-L149 PolarHBondContact O-N 2.83Å; L149-R151 VanDerWaalsContact C-N 3.31Å; L149-R151 PolarHBondContact O-N 2.83Å; L149-E152 CarbonylContact O-C 3.6Å; L149-E152 PolarHBondContact O-N 3.13Å; L149-E152 VanDerWaalsContact O-N 3.1Å; L149-G153 PolarHBondContact O-N 3.39Å; L149-F154 HydrophobicContact CB-CB 4.18Å; L149-F154 HydrophobicContact CB-CD2 4.29Å; L149-F154 HydrophobicContact CB-CG 4.41Å; L149-F154 HydrophobicContact CD2-CD2 4.02Å; L149-F154 HydrophobicContact CD2-CE2 4.09Å; L149-F154 WeakPolarHBondContact O-CB 3.41Å; L149-F154 WeakPolarHBondContact O-CD2 3.15Å; L149-F154 PolarHBondContact O-N 3.38Å; L149-F173 HydrophobicContact CB-CE1 4.15Å; L149-F173 HydrophobicContact CB-CE2 4.38Å; L149-F173 HydrophobicContact CB-CZ 3.79Å; L149-F173 HydrophobicContact CD1-CD2 4.28Å; L149-F173 HydrophobicContact CD1-CE2 3.8Å; L149-F173 HydrophobicContact CD1-CZ 4.07Å; L149-L183 HydrophobicContact CD1-CD1 4.15Å; L149-F185 HydrophobicContact CD1-CE1 4.11Å; L149-F185 HydrophobicContact CD1-CZ 3.67Å; L149-F191 HydrophobicContact CD2-CE1 3.98Å; L149-F191 HydrophobicContact CD2-CZ 4.4Å; L149-L196 HydrophobicContact CD2-CD1 4.13Å; L149-L196 HydrophobicContact CG-CD1 4.23Å |
| 150 | K | 96.8 | Very high | 95.7 | Very high | 107 Ų | 107 | 65.1 Ų | 65.1 | 47% | 0.465 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.2 | -41.3 | 173.7 | -74.9 | 172.1 | 66.7 | -176.8 | 0 | 112 | V146 Y148 E152 G153 F154 | V146-K150 HydrophobicContact CG1-CD 3.93Å; V146-K150 HydrophobicContact CG1-CG 4.45Å; V146-K150 VanDerWaalsContact O-CG 3.31Å; V146-K150 WeakPolarHBondContact O-CG 3.36Å; V146-K150 PolarHBondContact O-N 2.91Å; Y148-K150 VanDerWaalsContact C-N 3.32Å; Y148-K150 PolarHBondContact O-N 3.5Å; K150-E152 VanDerWaalsContact C-N 3.25Å; K150-E152 PolarHBondContact O-N 2.86Å; K150-G153 PolarHBondContact O-N 3.31Å; K150-F154 WeakPolarHBondContact CA-O 3.34Å |
| 151 | R | 96.8 | Very high | 95 | Very high | 220 Ų | 220 | 69.5 Ų | 69.5 | 83% | 0.83 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -65.7 | -26.7 | 176.2 | -67.5 | 172.9 | -168.4 | -160.3 | 3.6 | 112.9 | D147 Y148 L149 G153 | D147-R151 WeakPolarHBondContact O-CG 3.39Å; D147-R151 PolarHBondContact O-N 2.87Å; Y148-R151 WeakPolarHBondContact O-CB 3.48Å; Y148-R151 PolarHBondContact O-N 3.33Å; Y148-R151 VanDerWaalsContact O-N 3.15Å; L149-R151 VanDerWaalsContact C-N 3.31Å; L149-R151 PolarHBondContact O-N 2.83Å; R151-G153 PolarHBondContact O-N 3.31Å |
| 152 | E | 94.6 | Very high | 94 | Very high | 72 Ų | 72 | 74.6 Ų | 74.6 | 34% | 0.336 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 5.4 | 173.6 | -69.4 | -176.3 | 141.9 | 0 | 0 | 113.7 | Y148 L149 K150 F154 H194 | Y148-E152 HydrophobicContact CE1-CG 4.09Å; Y148-E152 VanDerWaalsContact CE1-OE1 3.27Å; Y148-E152 WeakPolarHBondContact CE1-OE1 3.37Å; Y148-E152 WeakPolarHBondContact CE1-OE2 3.39Å; Y148-E152 PolarHBondContact O-N 2.83Å; Y148-E152 PolarHBondContact OH-OE1 2.9Å; L149-E152 CarbonylContact O-C 3.6Å; L149-E152 PolarHBondContact O-N 3.13Å; L149-E152 VanDerWaalsContact O-N 3.1Å; K150-E152 VanDerWaalsContact C-N 3.25Å; K150-E152 PolarHBondContact O-N 2.86Å; E152-F154 HydrophobicContact CB-CD2 4.3Å; E152-H194 IonicContact OE1-NE2 3.5Å; E152-H194 IonicContact OE2-CE1 3.64Å; E152-H194 PolarHBondContact OE2-CE1 3.24Å; E152-H194 IonicContact OE2-NE2 2.87Å; E152-H194 PolarHBondContact OE2-NE2 3.37Å |
| 153 | G | 94 | Very high | 92.8 | Very high | 47 Ų | 47 | 74.9 Ų | 74.9 | 49% | 0.485 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85 | 21.7 | 176 | 0 | 0 | 0 | 0 | 0 | 114.3 | L149 K150 R151 K171 | L149-G153 PolarHBondContact O-N 3.39Å; K150-G153 PolarHBondContact O-N 3.31Å; R151-G153 PolarHBondContact O-N 3.31Å; G153-K171 VanDerWaalsContact O-CD 3.3Å; G153-K171 WeakPolarHBondContact O-CD 3.26Å |
| 154 | F | 95.6 | Very high | 91.3 | Very high | 30 Ų | 30 | 71.9 Ų | 71.9 | 13% | 0.132 | 36% | 0.357 | C | S | . | . | trans | -80.9 | 144.8 | 164.7 | -71.8 | -98.4 | 0 | 0 | 0 | 111.1 | L149 K150 E152 K171 F173 F185 T189 F191 | L149-F154 HydrophobicContact CB-CB 4.18Å; L149-F154 HydrophobicContact CB-CD2 4.29Å; L149-F154 HydrophobicContact CB-CG 4.41Å; L149-F154 HydrophobicContact CD2-CD2 4.02Å; L149-F154 HydrophobicContact CD2-CE2 4.09Å; L149-F154 WeakPolarHBondContact O-CB 3.41Å; L149-F154 WeakPolarHBondContact O-CD2 3.15Å; L149-F154 PolarHBondContact O-N 3.38Å; K150-F154 WeakPolarHBondContact CA-O 3.34Å; E152-F154 HydrophobicContact CB-CD2 4.3Å; F154-K171 CarbonylContact C-O 3.55Å; F154-K171 WeakPolarHBondContact CA-O 3.44Å; F154-K171 WeakPolarHBondContact CB-O 3.47Å; F154-K171 HydrophobicContact CD1-CB 3.93Å; F154-K171 WeakPolarHBondContact CD1-O 3.39Å; F154-K171 HydrophobicContact CE1-CB 4.38Å; F154-K171 HydrophobicContact CG-CB 4.33Å; F154-F173 HydrophobicContact CB-CD1 3.62Å; F154-F173 HydrophobicContact CB-CE1 3.51Å; F154-F173 HydrophobicContact CD1-CD1 4.4Å; F154-F173 HydrophobicContact CG-CD1 4.42Å; F154-F185 HydrophobicContact CD1-CD1 4.23Å; F154-F185 HydrophobicContact CD1-CE1 4.08Å; F154-F185 HydrophobicContact CE1-CD1 4.1Å; F154-F185 HydrophobicContact CE1-CE1 4.15Å; F154-T189 HydrophobicContact CE1-CG2 4.12Å; F154-T189 HydrophobicContact CZ-CG2 4.4Å; F154-F191 HydrophobicContact CE1-CZ 4.36Å; F154-F191 HydrophobicContact CZ-CE1 4.34Å; F154-F191 HydrophobicContact CZ-CZ 4.2Å | ||
| 155 | S | 95.3 | Very high | 89.7 | Confident | 58 Ų | 58 | 71.9 Ų | 71.9 | 41% | 0.406 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 114 | 179 | -172.3 | 0 | 0 | 0 | 0 | 110.2 | K171 D172 F173 | S155-K171 PolarHBondContact N-O 2.83Å; S155-D172 WeakPolarHBondContact CB-OD1 3.37Å; S155-D172 CarbonylContact O-C 3.57Å; S155-D172 WeakPolarHBondContact O-CA 3.5Å; S155-F173 VanDerWaalsContact O-CD1 3.26Å; S155-F173 WeakPolarHBondContact O-CD1 3.49Å; S155-F173 PolarHBondContact O-N 3.28Å |
| 156 | Y | 95.4 | Very high | 88.2 | Confident | 76 Ų | 76 | 72.3 Ų | 72.3 | 30% | 0.298 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 117 | 179 | -178.9 | -121.8 | 0 | 0 | 0 | 110.7 | V146 G158 F173 L175 | V146-Y156 HydrophobicContact CG1-CD1 3.71Å; V146-Y156 HydrophobicContact CG1-CD2 3.97Å; V146-Y156 HydrophobicContact CG1-CE1 4.07Å; V146-Y156 HydrophobicContact CG1-CE2 4.32Å; V146-Y156 HydrophobicContact CG1-CG 3.65Å; V146-Y156 HydrophobicContact CG2-CD2 4.35Å; V146-Y156 HydrophobicContact CG2-CE2 4.12Å; Y156-G158 WeakPolarHBondContact CE2-O 3.46Å; Y156-G158 VanDerWaalsContact CZ-CA 3.47Å; Y156-F173 WeakPolarHBondContact CA-O 3.39Å; Y156-F173 HydrophobicContact CD2-CD2 4.01Å; Y156-F173 HydrophobicContact CD2-CE1 4.32Å; Y156-F173 AromaticContact CD2-CE2 3.63Å; Y156-F173 HydrophobicContact CD2-CE2 3.63Å; Y156-F173 AromaticContact CD2-CZ 3.81Å; Y156-F173 HydrophobicContact CD2-CZ 3.81Å; Y156-F173 HydrophobicContact CE2-CE2 4.35Å; Y156-F173 HydrophobicContact CG-CE1 4.48Å; Y156-F173 HydrophobicContact CG-CE2 4.38Å; Y156-F173 HydrophobicContact CG-CZ 4.11Å; Y156-L175 HydrophobicContact CE2-CB 4.35Å |
| 157 | L | 92.7 | Very high | 87 | Confident | 97 Ų | 97 | 77.4 Ų | 77.4 | 51% | 0.508 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 3.8 | -177.6 | -56.2 | -175.8 | 0 | 0 | 0 | 113.9 | L168 D172 F173 L174 | L157-L168 HydrophobicContact CD1-CD2 3.84Å; L157-D172 HydrophobicContact CD1-CB 3.89Å; L157-D172 HydrophobicContact CG-CB 4.21Å; L157-F173 PolarHBondContact N-O 3.09Å; L157-L174 HydrophobicContact CB-CB 4.4Å |
| 158 | G | 92 | Very high | 86.1 | Confident | 20 Ų | 20 | 75.8 Ų | 75.8 | 21% | 0.206 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 90 | -157.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y156 L174 L175 | Y156-G158 WeakPolarHBondContact CE2-O 3.46Å; Y156-G158 VanDerWaalsContact CZ-CA 3.47Å; G158-L174 WeakPolarHBondContact O-CA 3.31Å; G158-L174 WeakPolarHBondContact O-CB 3.4Å; G158-L175 PolarHBondContact O-N 2.96Å |
| 159 | Q | 90.9 | Very high | 85.3 | Confident | 111 Ų | 111 | 78.9 Ų | 78.9 | 52% | 0.519 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 136.5 | 176.1 | -172 | 176.7 | 4.4 | 0 | 0 | 110.6 | V161 L175 D176 | Q159-V161 PolarHBondContact O-N 3.19Å; Q159-L175 WeakPolarHBondContact CA-O 3.36Å; Q159-L175 HydrophobicContact CB-CB 4.27Å; Q159-L175 HydrophobicContact CG-CB 4.31Å; Q159-L175 HydrophobicContact CG-CD2 4.36Å; Q159-D176 PolarHBondContact NE2-O 3.11Å |
| 160 | A | 87.6 | Confident | 84.6 | Confident | 4 Ų | 4 | 85.8 Ų | 85.8 | 3% | 0.033 | 43% | 0.433 | C | S | . | . | trans | -63.5 | 129.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | L174 L175 L177 | A160-L174 HydrophobicContact CB-CD1 3.71Å; A160-L174 HydrophobicContact CB-CD2 4.13Å; A160-L175 PolarHBondContact N-O 3.24Å; A160-L177 HydrophobicContact CB-CB 4.23Å; A160-L177 WeakPolarHBondContact O-CB 3.49Å; A160-L177 WeakPolarHBondContact O-CD1 3.4Å | ||
| 161 | V | 82.6 | Confident | 84.3 | Confident | 112 Ų | 112 | 85.9 Ų | 85.9 | 68% | 0.679 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -96 | -28.5 | 173.5 | -174.8 | 0 | 0 | 0 | 0 | 111 | Q159 | Q159-V161 PolarHBondContact O-N 3.19Š|
| 162 | R | 78.7 | Confident | 84.1 | Confident | 173 Ų | 173 | 77.3 Ų | 77.3 | 65% | 0.653 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -138.4 | 154.9 | -179.5 | -73.3 | -174.7 | 153.2 | 163.8 | -5.8 | 110.8 | D164 N165 | R162-D164 PolarHBondContact O-N 3.06Å; R162-N165 WeakPolarHBondContact O-CB 3.48Å; R162-N165 PolarHBondContact O-N 3.48Å |
| 163 | L | 72.1 | Confident | 84.1 | Confident | 32 Ų | 32 | 73.9 Ų | 73.9 | 17% | 0.168 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -64 | -30.8 | 175.9 | -93.5 | 70.5 | 0 | 0 | 0 | 112.4 | N165 L166 L177 P384 K401 L403 | L163-N165 PolarHBondContact O-N 3.3Å; L163-N165 VanDerWaalsContact O-N 3.16Å; L163-L166 HydrophobicContact CG-CD1 4.31Å; L163-L166 VanDerWaalsContact O-CB 3.26Å; L163-L166 WeakPolarHBondContact O-CB 3.5Å; L163-L166 PolarHBondContact O-N 2.58Å; L163-L177 HydrophobicContact CD1-CD2 4Å; L163-P384 HydrophobicContact CD2-CG 4.49Å; L163-K401 WeakPolarHBondContact CD2-O 3.31Å; L163-L403 HydrophobicContact CB-CD1 4.47Å |
| 164 | D | 66.3 | Low | 84.2 | Confident | 124 Ų | 124 | 71.9 Ų | 71.9 | 66% | 0.663 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -62 | -24.6 | 178.8 | -54 | -30.5 | 0 | 0 | 0 | 112.8 | R162 L166 T167 | R162-D164 PolarHBondContact O-N 3.06Å; D164-L166 PolarHBondContact O-N 3.4Å; D164-T167 PolarHBondContact O-N 3.44Å; D164-T167 PolarHBondContact O-OG1 3.23Å |
| 165 | N | 63.4 | Low | 84.2 | Confident | 84 Ų | 84 | 71.4 Ų | 71.4 | 45% | 0.449 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -70.5 | -6.3 | 176.8 | -63 | 5.5 | 0 | 0 | 0 | 113 | R162 L163 T167 L174 | R162-N165 WeakPolarHBondContact O-CB 3.48Å; R162-N165 PolarHBondContact O-N 3.48Å; L163-N165 PolarHBondContact O-N 3.3Å; L163-N165 VanDerWaalsContact O-N 3.16Å; N165-T167 PolarHBondContact O-N 3.26Å; N165-L174 HydrophobicContact CB-CD2 4.5Å; N165-L174 WeakPolarHBondContact O-CD2 3.33Å |
| 166 | L | 67.9 | Low | 84.1 | Confident | 10 Ų | 10 | 68.7 Ų | 68.7 | 5% | 0.052 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -82 | 4.7 | 178.5 | -69.3 | 164.4 | 0 | 0 | 0 | 113.6 | P130 L163 D164 L168 L174 A184 L403 | P130-L166 HydrophobicContact CG-CB 4.04Å; P130-L166 HydrophobicContact CG-CD2 4.46Å; L163-L166 HydrophobicContact CG-CD1 4.31Å; L163-L166 VanDerWaalsContact O-CB 3.26Å; L163-L166 WeakPolarHBondContact O-CB 3.5Å; L163-L166 PolarHBondContact O-N 2.58Å; D164-L166 PolarHBondContact O-N 3.4Å; L166-L168 PolarHBondContact O-N 3.02Å; L166-L174 HydrophobicContact CD2-CD1 3.7Å; L166-L174 HydrophobicContact CD2-CD2 4.22Å; L166-L174 HydrophobicContact CD2-CG 4.32Å; L166-A184 HydrophobicContact CD2-CB 3.53Å; L166-L403 HydrophobicContact CB-CD1 3.75Å; L166-L403 HydrophobicContact CD1-CB 4.44Å; L166-L403 HydrophobicContact CD1-CD1 3.74Å; L166-L403 HydrophobicContact CG-CD1 4.37Å |
| 167 | T | 71.7 | Confident | 83.9 | Confident | 116 Ų | 116 | 67.8 Ų | 67.8 | 71% | 0.712 | 35% | 0.346 | S | S | * | . | trans | -76.7 | 66.6 | 171.7 | -44.8 | 0 | 0 | 0 | 0 | 110.8 | D164 N165 | D164-T167 PolarHBondContact O-N 3.44Å; D164-T167 PolarHBondContact O-OG1 3.23Å; N165-T167 PolarHBondContact O-N 3.26Å | ||
| 168 | L | 80.1 | Confident | 84 | Confident | 17 Ų | 17 | 63.8 Ų | 63.8 | 9% | 0.089 | 33% | 0.325 | C | S | . | . | trans | -78.7 | 141.8 | -174.7 | -61.9 | 169.4 | 0 | 0 | 0 | 111.7 | L157 L166 D172 L174 A184 P186 | L157-L168 HydrophobicContact CD1-CD2 3.84Å; L166-L168 PolarHBondContact O-N 3.02Å; L168-D172 HydrophobicContact CD2-CB 4.1Å; L168-L174 HydrophobicContact CD1-CG 4.31Å; L168-L174 HydrophobicContact CD2-CD2 3.86Å; L168-L174 HydrophobicContact CD2-CG 4.16Å; L168-A184 HydrophobicContact CD1-CB 4.29Å; L168-A184 WeakPolarHBondContact CD1-O 3.49Å; L168-P186 HydrophobicContact CB-CB 4.47Å; L168-P186 HydrophobicContact CB-CG 3.73Å | ||
| 169 | K | 79.6 | Confident | 84.1 | Confident | 144 Ų | 144 | 63 Ų | 63 | 63% | 0.626 | 32% | 0.316 | S | S | * | . | trans | -123.5 | 160.9 | 175.7 | -65.9 | -178.6 | -177.2 | 175.3 | 0 | 110.5 | K171 D172 | K169-K171 PolarHBondContact O-N 2.82Å; K169-D172 VanDerWaalsContact O-CB 3.29Å; K169-D172 WeakPolarHBondContact O-CB 3.34Å; K169-D172 PolarHBondContact O-N 2.87Å | ||
| 170 | N | 83.7 | Confident | 84.3 | Confident | 147 Ų | 147 | 61 Ų | 61 | 79% | 0.786 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | -119.6 | 173.3 | -55.8 | -34.8 | 0 | 0 | 0 | 113.7 | ||
| 171 | K | 88.8 | Confident | 84.7 | Confident | 109 Ų | 109 | 63.3 Ų | 63.3 | 47% | 0.474 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | 25 | 177.8 | -67 | -171.6 | 170.4 | -173 | 0 | 111.9 | G153 F154 S155 K169 | G153-K171 VanDerWaalsContact O-CD 3.3Å; G153-K171 WeakPolarHBondContact O-CD 3.26Å; F154-K171 CarbonylContact C-O 3.55Å; F154-K171 WeakPolarHBondContact CA-O 3.44Å; F154-K171 WeakPolarHBondContact CB-O 3.47Å; F154-K171 HydrophobicContact CD1-CB 3.93Å; F154-K171 WeakPolarHBondContact CD1-O 3.39Å; F154-K171 HydrophobicContact CE1-CB 4.38Å; F154-K171 HydrophobicContact CG-CB 4.33Å; S155-K171 PolarHBondContact N-O 2.83Å; K169-K171 PolarHBondContact O-N 2.82Å |
| 172 | D | 92.9 | Very high | 85.4 | Confident | 41 Ų | 41 | 58.1 Ų | 58.1 | 22% | 0.219 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 147.6 | 175.9 | -59.7 | -22.1 | 0 | 0 | 0 | 110.1 | S155 L157 L168 K169 P186 | S155-D172 WeakPolarHBondContact CB-OD1 3.37Å; S155-D172 CarbonylContact O-C 3.57Å; S155-D172 WeakPolarHBondContact O-CA 3.5Å; L157-D172 HydrophobicContact CD1-CB 3.89Å; L157-D172 HydrophobicContact CG-CB 4.21Å; L168-D172 HydrophobicContact CD2-CB 4.1Å; K169-D172 VanDerWaalsContact O-CB 3.29Å; K169-D172 WeakPolarHBondContact O-CB 3.34Å; K169-D172 PolarHBondContact O-N 2.87Å; D172-P186 WeakPolarHBondContact O-CD 3.37Å |
| 173 | F | 95.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 157.8 | 171.5 | 75.8 | -71.7 | 0 | 0 | 0 | 110.8 | V146 L149 F154 S155 Y156 L157 L183 A184 F185 | V146-F173 HydrophobicContact CB-CE2 4.46Å; V146-F173 HydrophobicContact CB-CZ 4.47Å; V146-F173 HydrophobicContact CG1-CE2 4.41Å; V146-F173 HydrophobicContact CG1-CZ 4.11Å; V146-F173 HydrophobicContact CG2-CE2 4.04Å; L149-F173 HydrophobicContact CB-CE1 4.15Å; L149-F173 HydrophobicContact CB-CE2 4.38Å; L149-F173 HydrophobicContact CB-CZ 3.79Å; L149-F173 HydrophobicContact CD1-CD2 4.28Å; L149-F173 HydrophobicContact CD1-CE2 3.8Å; L149-F173 HydrophobicContact CD1-CZ 4.07Å; F154-F173 HydrophobicContact CB-CD1 3.62Å; F154-F173 HydrophobicContact CB-CE1 3.51Å; F154-F173 HydrophobicContact CD1-CD1 4.4Å; F154-F173 HydrophobicContact CG-CD1 4.42Å; S155-F173 VanDerWaalsContact O-CD1 3.26Å; S155-F173 WeakPolarHBondContact O-CD1 3.49Å; S155-F173 PolarHBondContact O-N 3.28Å; Y156-F173 WeakPolarHBondContact CA-O 3.39Å; Y156-F173 HydrophobicContact CD2-CD2 4.01Å; Y156-F173 HydrophobicContact CD2-CE1 4.32Å; Y156-F173 AromaticContact CD2-CE2 3.63Å; Y156-F173 HydrophobicContact CD2-CE2 3.63Å; Y156-F173 AromaticContact CD2-CZ 3.81Å; Y156-F173 HydrophobicContact CD2-CZ 3.81Å; Y156-F173 HydrophobicContact CE2-CE2 4.35Å; Y156-F173 HydrophobicContact CG-CE1 4.48Å; Y156-F173 HydrophobicContact CG-CE2 4.38Å; Y156-F173 HydrophobicContact CG-CZ 4.11Å; L157-F173 PolarHBondContact N-O 3.09Å; F173-L183 HydrophobicContact CD2-CD1 4.45Å; F173-L183 HydrophobicContact CD2-CD2 4.19Å; F173-L183 HydrophobicContact CE2-CD1 4.36Å; F173-L183 HydrophobicContact CE2-CD2 4.27Å; F173-A184 WeakPolarHBondContact CA-O 3.42Å; F173-A184 WeakPolarHBondContact CB-O 3.34Å; F173-F185 HydrophobicContact CB-CD1 3.37Å; F173-F185 HydrophobicContact CB-CE1 3.31Å; F173-F185 HydrophobicContact CB-CG 4.07Å; F173-F185 HydrophobicContact CB-CZ 3.98Å; F173-F185 HydrophobicContact CD1-CE1 4.29Å; F173-F185 AromaticContact CD2-CE1 3.81Å; F173-F185 HydrophobicContact CD2-CE1 3.81Å; F173-F185 AromaticContact CD2-CZ 3.81Å; F173-F185 HydrophobicContact CD2-CZ 3.81Å; F173-F185 HydrophobicContact CG-CD1 4.15Å; F173-F185 AromaticContact CG-CE1 3.56Å; F173-F185 HydrophobicContact CG-CE1 3.56Å; F173-F185 HydrophobicContact CG-CZ 4.06Å |
| 174 | L | 95.1 | Very high | 87.4 | Confident | 4 Ų | 4 | 48.4 Ų | 48.4 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 164.6 | -177.7 | 61.5 | 73.3 | 0 | 0 | 0 | 111.7 | L157 G158 A160 N165 L166 L168 L183 A184 | L157-L174 HydrophobicContact CB-CB 4.4Å; G158-L174 WeakPolarHBondContact O-CA 3.31Å; G158-L174 WeakPolarHBondContact O-CB 3.4Å; A160-L174 HydrophobicContact CB-CD1 3.71Å; A160-L174 HydrophobicContact CB-CD2 4.13Å; N165-L174 HydrophobicContact CB-CD2 4.5Å; N165-L174 WeakPolarHBondContact O-CD2 3.33Å; L166-L174 HydrophobicContact CD2-CD1 3.7Å; L166-L174 HydrophobicContact CD2-CD2 4.22Å; L166-L174 HydrophobicContact CD2-CG 4.32Å; L168-L174 HydrophobicContact CD1-CG 4.31Å; L168-L174 HydrophobicContact CD2-CD2 3.86Å; L168-L174 HydrophobicContact CD2-CG 4.16Å; L174-L183 WeakPolarHBondContact O-CA 3.46Å; L174-A184 HydrophobicContact CD1-CB 3.84Å; L174-A184 HydrophobicContact CG-CB 4.42Å; L174-A184 PolarHBondContact N-O 3.31Å; L174-A184 VanDerWaalsContact N-O 3.14Å; L174-A184 PolarHBondContact O-N 3.23Å |
| 175 | L | 95.6 | Very high | 88.7 | Confident | 20 Ų | 20 | 42.5 Ų | 42.5 | 11% | 0.105 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 135.1 | 171.3 | -169.9 | 69.7 | 0 | 0 | 0 | 110.4 | V142 Y156 G158 Q159 A160 P180 L183 | V142-L175 HydrophobicContact CG1-CD1 3.76Å; Y156-L175 HydrophobicContact CE2-CB 4.35Å; G158-L175 PolarHBondContact O-N 2.96Å; Q159-L175 WeakPolarHBondContact CA-O 3.36Å; Q159-L175 HydrophobicContact CB-CB 4.27Å; Q159-L175 HydrophobicContact CG-CB 4.31Å; Q159-L175 HydrophobicContact CG-CD2 4.36Å; A160-L175 PolarHBondContact N-O 3.24Å; L175-P180 WeakPolarHBondContact CD1-O 3.36Å; L175-L183 HydrophobicContact CB-CD2 4.37Å; L175-L183 HydrophobicContact CD1-CD2 3.69Å |
| 176 | D | 94.6 | Very high | 90.1 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | trans | -61.1 | 148.8 | -176.9 | -175 | -113 | 0 | 0 | 0 | 113.2 | Q159 H178 L179 V182 K207 | Q159-D176 PolarHBondContact NE2-O 3.11Å; D176-H178 WeakPolarHBondContact OD1-CA 3.23Å; D176-H178 PolarHBondContact OD1-N 3.46Å; D176-L179 PolarHBondContact OD1-N 3.37Å; D176-V182 HydrophobicContact CB-CB 3.96Å; D176-V182 HydrophobicContact CB-CG1 4.17Å; D176-V182 VanDerWaalsContact CB-O 3.23Å; D176-V182 WeakPolarHBondContact CB-O 3.33Å; D176-V182 PolarHBondContact N-O 3.02Å; D176-K207 VanDerWaalsContact CG-CE 3.48Å; D176-K207 WeakPolarHBondContact OD1-CE 3.14Å; D176-K207 IonicContact OD1-NZ 2.93Å; D176-K207 PolarHBondContact OD1-NZ 3.43Å; D176-K207 VanDerWaalsContact OD2-CD 3.29Å; D176-K207 WeakPolarHBondContact OD2-CD 3.47Å; D176-K207 WeakPolarHBondContact OD2-CE 3.43Å; D176-K207 IonicContact OD2-NZ 3.53Å; D176-K207 PolarHBondContact OD2-NZ 3.06Å | ||
| 177 | L | 91.4 | Very high | 90.8 | Very high | 57 Ų | 57 | 40.1 Ų | 40.1 | 30% | 0.298 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -66.7 | -40.6 | 178.4 | 174.2 | 63.1 | 0 | 0 | 0 | 112.5 | A160 L163 | A160-L177 HydrophobicContact CB-CB 4.23Å; A160-L177 WeakPolarHBondContact O-CB 3.49Å; A160-L177 WeakPolarHBondContact O-CD1 3.4Å; L163-L177 HydrophobicContact CD1-CD2 4Å |
| 178 | H | 93 | Very high | 91.3 | Very high | 13 Ų | 13 | 41.7 Ų | 41.7 | 6% | 0.06 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -98.4 | -31.2 | -169.4 | -57 | 139.9 | 0 | 0 | 0 | 112.6 | D176 K207 L380 W383 | D176-H178 WeakPolarHBondContact OD1-CA 3.23Å; D176-H178 PolarHBondContact OD1-N 3.46Å; H178-K207 WeakPolarHBondContact ND1-CE 3.48Å; H178-K207 PolarHBondContact ND1-NZ 2.86Å; H178-K207 VanDerWaalsContact ND1-NZ 3.18Å; H178-L380 HydrophobicContact CB-CD2 4.42Å; H178-W383 HydrophobicContact CB-CE3 4.38Å; H178-W383 HydrophobicContact CB-CZ3 4.42Å; H178-W383 AromaticContact CE1-CE3 3.76Å; H178-W383 AromaticContact CG-CE3 3.91Å; H178-W383 AromaticContact ND1-CE3 3.25Å; H178-W383 VanDerWaalsContact ND1-CE3 3.25Å; H178-W383 AromaticContact ND1-CZ3 3.32Å; H178-W383 VanDerWaalsContact ND1-CZ3 3.32Å; H178-W383 WeakPolarHBondContact ND1-CZ3 3.23Å |
| 179 | L | 95.2 | Very high | 91.7 | Very high | 4 Ų | 4 | 41.9 Ų | 41.9 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | trans | -119.8 | 118.3 | -171.9 | -64.1 | 178.6 | 0 | 0 | 0 | 111.3 | D176 E181 V182 K207 C210 L211 H214 | D176-L179 PolarHBondContact OD1-N 3.37Å; L179-E181 PolarHBondContact O-N 2.61Å; L179-E181 VanDerWaalsContact O-N 3.12Å; L179-V182 HydrophobicContact CB-CB 3.97Å; L179-V182 HydrophobicContact CB-CG2 3.67Å; L179-V182 HydrophobicContact CD1-CG2 3.81Å; L179-V182 HydrophobicContact CG-CG2 4.43Å; L179-V182 PolarHBondContact O-N 3.23Å; L179-K207 HydrophobicContact CD1-CG 4.12Å; L179-K207 WeakPolarHBondContact CD1-O 3.32Å; L179-C210 HydrophobicContact CD1-CB 3.44Å; L179-C210 VanDerWaalsContact CD1-CB 3.44Å; L179-L211 HydrophobicContact CD2-CD2 4.33Å; L179-H214 HydrophobicContact CD2-CB 3.89Å; L179-H214 VanDerWaalsContact CD2-CD2 3.49Å; L179-H214 WeakPolarHBondContact CD2-CD2 3.42Å; L179-H214 VanDerWaalsContact CD2-CG 3.47Å | ||
| 180 | P | 94.1 | Very high | 92 | Very high | 68 Ų | 68 | 40 Ų | 40 | 44% | 0.442 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -14.5 | -170.5 | 27.2 | -34.9 | 0 | 0 | 0 | 114.4 | L175 | L175-P180 WeakPolarHBondContact CD1-O 3.36Š|
| 181 | E | 96.4 | Very high | 92.5 | Very high | 54 Ų | 54 | 33.1 Ų | 33.1 | 25% | 0.252 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | 10.8 | -175.3 | -58.1 | -61.3 | 158.1 | 0 | 0 | 112.4 | R134 V135 T137 V142 L179 | R134-E181 CarbonylContact C-O 3.58Å; R134-E181 WeakPolarHBondContact CA-O 3.47Å; V135-E181 PolarHBondContact N-O 3.29Å; T137-E181 HydrophobicContact CG2-CG 3.95Å; T137-E181 WeakPolarHBondContact CG2-OE2 3.32Å; V142-E181 WeakPolarHBondContact CG2-OE2 3.31Å; L179-E181 PolarHBondContact O-N 2.61Å; L179-E181 VanDerWaalsContact O-N 3.12Å |
| 182 | V | 97.7 | Very high | 92.5 | Very high | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.012 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 122.9 | -176.3 | 177.8 | 0 | 0 | 0 | 0 | 109.8 | Y132 R134 D176 L179 C210 | Y132-V182 HydrophobicContact CD1-CG1 3.84Å; Y132-V182 HydrophobicContact CG-CG1 4.41Å; R134-V182 HydrophobicContact CB-CG2 4.45Å; D176-V182 HydrophobicContact CB-CB 3.96Å; D176-V182 HydrophobicContact CB-CG1 4.17Å; D176-V182 VanDerWaalsContact CB-O 3.23Å; D176-V182 WeakPolarHBondContact CB-O 3.33Å; D176-V182 PolarHBondContact N-O 3.02Å; L179-V182 HydrophobicContact CB-CB 3.97Å; L179-V182 HydrophobicContact CB-CG2 3.67Å; L179-V182 HydrophobicContact CD1-CG2 3.81Å; L179-V182 HydrophobicContact CG-CG2 4.43Å; L179-V182 PolarHBondContact O-N 3.23Å; V182-C210 HydrophobicContact CG2-CB 4.31Å |
| 183 | L | 97.1 | Very high | 92.2 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 141.9 | 172 | -63.6 | 172 | 0 | 0 | 0 | 109.6 | Y132 V133 V135 T145 V146 L149 F173 L174 L175 F185 | Y132-L183 WeakPolarHBondContact CA-O 3.49Å; V133-L183 PolarHBondContact N-O 2.87Å; V133-L183 PolarHBondContact O-N 3.34Å; V135-L183 HydrophobicContact CG2-CD1 3.87Å; V135-L183 HydrophobicContact CG2-CG 4.11Å; T145-L183 HydrophobicContact CG2-CD1 4.08Å; V146-L183 HydrophobicContact CG2-CD2 4.21Å; L149-L183 HydrophobicContact CD1-CD1 4.15Å; F173-L183 HydrophobicContact CD2-CD1 4.45Å; F173-L183 HydrophobicContact CD2-CD2 4.19Å; F173-L183 HydrophobicContact CE2-CD1 4.36Å; F173-L183 HydrophobicContact CE2-CD2 4.27Å; L174-L183 WeakPolarHBondContact O-CA 3.46Å; L175-L183 HydrophobicContact CB-CD2 4.37Å; L175-L183 HydrophobicContact CD1-CD2 3.69Å; L183-F185 HydrophobicContact CB-CD2 4.37Å; L183-F185 HydrophobicContact CB-CE2 3.54Å; L183-F185 HydrophobicContact CB-CZ 4.1Å; L183-F185 HydrophobicContact CD1-CE2 4.37Å; L183-F185 HydrophobicContact CD1-CZ 4.24Å |
| 184 | A | 95.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 135.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | P130 Y132 L166 L168 F173 L174 | P130-A184 HydrophobicContact CB-CB 4.33Å; Y132-A184 HydrophobicContact CD1-CB 4Å; Y132-A184 HydrophobicContact CE1-CB 3.89Å; L166-A184 HydrophobicContact CD2-CB 3.53Å; L168-A184 HydrophobicContact CD1-CB 4.29Å; L168-A184 WeakPolarHBondContact CD1-O 3.49Å; F173-A184 WeakPolarHBondContact CA-O 3.42Å; F173-A184 WeakPolarHBondContact CB-O 3.34Å; L174-A184 HydrophobicContact CD1-CB 3.84Å; L174-A184 HydrophobicContact CG-CB 4.42Å; L174-A184 PolarHBondContact N-O 3.31Å; L174-A184 VanDerWaalsContact N-O 3.14Å; L174-A184 PolarHBondContact O-N 3.23Å |
| 185 | F | 94.4 | Very high | 92.2 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 0% | 0.004 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 164 | -179.7 | -63.3 | -95.3 | 0 | 0 | 0 | 110.5 | P130 R131 V133 L149 F154 F173 L183 T189 F191 | P130-F185 CarbonylContact C-O 3.57Å; P130-F185 WeakPolarHBondContact CA-O 3.46Å; R131-F185 HydrophobicContact CB-CB 4.11Å; R131-F185 PolarHBondContact N-O 2.59Å; R131-F185 PolarHBondContact O-N 2.97Å; V133-F185 HydrophobicContact CB-CD2 4.25Å; V133-F185 HydrophobicContact CB-CE2 3.86Å; V133-F185 HydrophobicContact CG2-CD2 3.68Å; V133-F185 HydrophobicContact CG2-CE2 3.67Å; L149-F185 HydrophobicContact CD1-CE1 4.11Å; L149-F185 HydrophobicContact CD1-CZ 3.67Å; F154-F185 HydrophobicContact CD1-CD1 4.23Å; F154-F185 HydrophobicContact CD1-CE1 4.08Å; F154-F185 HydrophobicContact CE1-CD1 4.1Å; F154-F185 HydrophobicContact CE1-CE1 4.15Å; F173-F185 HydrophobicContact CB-CD1 3.37Å; F173-F185 HydrophobicContact CB-CE1 3.31Å; F173-F185 HydrophobicContact CB-CG 4.07Å; F173-F185 HydrophobicContact CB-CZ 3.98Å; F173-F185 HydrophobicContact CD1-CE1 4.29Å; F173-F185 AromaticContact CD2-CE1 3.81Å; F173-F185 HydrophobicContact CD2-CE1 3.81Å; F173-F185 AromaticContact CD2-CZ 3.81Å; F173-F185 HydrophobicContact CD2-CZ 3.81Å; F173-F185 HydrophobicContact CG-CD1 4.15Å; F173-F185 AromaticContact CG-CE1 3.56Å; F173-F185 HydrophobicContact CG-CE1 3.56Å; F173-F185 HydrophobicContact CG-CZ 4.06Å; L183-F185 HydrophobicContact CB-CD2 4.37Å; L183-F185 HydrophobicContact CB-CE2 3.54Å; L183-F185 HydrophobicContact CB-CZ 4.1Å; L183-F185 HydrophobicContact CD1-CE2 4.37Å; L183-F185 HydrophobicContact CD1-CZ 4.24Å; F185-T189 HydrophobicContact CB-CG2 4.21Å; F185-T189 HydrophobicContact CD1-CG2 4.26Å; F185-T189 HydrophobicContact CG-CG2 4.42Å; F185-F191 HydrophobicContact CB-CE2 4.48Å; F185-F191 AromaticContact CD1-CE2 3.87Å; F185-F191 HydrophobicContact CD1-CE2 3.87Å; F185-F191 AromaticContact CD1-CZ 3.78Å; F185-F191 HydrophobicContact CD1-CZ 3.78Å; F185-F191 AromaticContact CD2-CE2 3.78Å; F185-F191 HydrophobicContact CD2-CE2 3.78Å; F185-F191 HydrophobicContact CD2-CZ 4.29Å; F185-F191 AromaticContact CE1-CE2 3.98Å; F185-F191 HydrophobicContact CE1-CE2 3.98Å; F185-F191 AromaticContact CE1-CZ 3.51Å; F185-F191 HydrophobicContact CE1-CZ 3.51Å; F185-F191 AromaticContact CE2-CE2 3.87Å; F185-F191 HydrophobicContact CE2-CE2 3.87Å; F185-F191 HydrophobicContact CE2-CZ 4.04Å; F185-F191 AromaticContact CG-CE2 3.78Å; F185-F191 HydrophobicContact CG-CE2 3.78Å; F185-F191 HydrophobicContact CG-CZ 4.17Å; F185-F191 AromaticContact CZ-CE2 3.98Å; F185-F191 HydrophobicContact CZ-CE2 3.98Å; F185-F191 AromaticContact CZ-CZ 3.65Å; F185-F191 HydrophobicContact CZ-CZ 3.65Å |
| 186 | P | 91 | Very high | 92.3 | Very high | 13 Ų | 13 | 41.1 Ų | 41.1 | 8% | 0.084 | 22% | 0.215 | C | C | . | . | trans | -53.2 | 146.9 | 170.2 | -26.8 | 32 | 0 | 0 | 0 | 112.1 | L168 D172 N188 T189 | L168-P186 HydrophobicContact CB-CB 4.47Å; L168-P186 HydrophobicContact CB-CG 3.73Å; D172-P186 WeakPolarHBondContact O-CD 3.37Å; P186-N188 PolarHBondContact O-N 3.33Å; P186-T189 WeakPolarHBondContact O-CB 3.24Å; P186-T189 PolarHBondContact O-N 3.48Å; P186-T189 PolarHBondContact O-OG1 3.38Å | ||
| 187 | P | 84.6 | Confident | 92.4 | Very high | 30 Ų | 30 | 43.1 Ų | 43.1 | 20% | 0.195 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -37 | -173.3 | -27.2 | 31.4 | 0 | 0 | 0 | 115 | D127 L129 R131 T189 | D127-P187 WeakPolarHBondContact O-CB 3.13Å; L129-P187 WeakPolarHBondContact O-CA 3.28Å; L129-P187 VanDerWaalsContact O-CB 3.23Å; L129-P187 WeakPolarHBondContact O-CB 3.38Å; L129-P187 VanDerWaalsContact O-CG 3.3Å; L129-P187 WeakPolarHBondContact O-CG 3.36Å; R131-P187 PolarHBondContact NH2-O 2.98Å; P187-T189 VanDerWaalsContact C-N 3.32Å; P187-T189 PolarHBondContact O-N 3.28Å |
| 188 | N | 81.2 | Confident | 92.6 | Very high | 150 Ų | 150 | 45.8 Ų | 45.8 | 80% | 0.802 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | 5.8 | -174.6 | -63.7 | -36.6 | 0 | 0 | 0 | 114.3 | P186 D190 | P186-N188 PolarHBondContact O-N 3.33Å; N188-D190 PolarHBondContact O-N 3.5Å |
| 189 | T | 87.6 | Confident | 92.7 | Very high | 20 Ų | 20 | 46.2 Ų | 46.2 | 12% | 0.123 | 24% | 0.237 | C | C | . | . | trans | -73.5 | 120.9 | 177.5 | -47.4 | 0 | 0 | 0 | 0 | 109.9 | R131 F154 F185 P186 P187 F191 | R131-T189 PolarHBondContact NE-O 2.95Å; F154-T189 HydrophobicContact CE1-CG2 4.12Å; F154-T189 HydrophobicContact CZ-CG2 4.4Å; F185-T189 HydrophobicContact CB-CG2 4.21Å; F185-T189 HydrophobicContact CD1-CG2 4.26Å; F185-T189 HydrophobicContact CG-CG2 4.42Å; P186-T189 WeakPolarHBondContact O-CB 3.24Å; P186-T189 PolarHBondContact O-N 3.48Å; P186-T189 PolarHBondContact O-OG1 3.38Å; P187-T189 VanDerWaalsContact C-N 3.32Å; P187-T189 PolarHBondContact O-N 3.28Å; T189-F191 HydrophobicContact CG2-CD2 4.04Å; T189-F191 HydrophobicContact CG2-CE2 3.39Å; T189-F191 HydrophobicContact CG2-CZ 3.72Å | ||
| 190 | D | 87.7 | Confident | 92.8 | Very high | 105 Ų | 105 | 46 Ų | 46 | 56% | 0.561 | 24% | 0.237 | S | C | * | . | trans | -107.1 | 125.3 | 178.1 | -171.5 | 6.5 | 0 | 0 | 0 | 111.3 | N188 H192 | N188-D190 PolarHBondContact O-N 3.5Å; D190-H192 WeakPolarHBondContact OD1-CB 3.41Å; D190-H192 IonicContact OD1-CD2 3.82Å; D190-H192 PolarHBondContact OD1-CD2 3.39Å; D190-H192 IonicContact OD1-CG 3.9Å; D190-H192 PolarHBondContact OD1-N 3.12Å | ||
| 191 | F | 92.3 | Very high | 93 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.009 | 23% | 0.225 | C | C | . | . | trans | -114 | 0.9 | 177.7 | -74.6 | -73.8 | 0 | 0 | 0 | 113 | V133 L149 F154 F185 T189 D193 H194 Y197 I202 L204 | V133-F191 HydrophobicContact CG2-CD2 3.79Å; V133-F191 HydrophobicContact CG2-CE2 3.9Å; L149-F191 HydrophobicContact CD2-CE1 3.98Å; L149-F191 HydrophobicContact CD2-CZ 4.4Å; F154-F191 HydrophobicContact CE1-CZ 4.36Å; F154-F191 HydrophobicContact CZ-CE1 4.34Å; F154-F191 HydrophobicContact CZ-CZ 4.2Å; F185-F191 HydrophobicContact CB-CE2 4.48Å; F185-F191 AromaticContact CD1-CE2 3.87Å; F185-F191 HydrophobicContact CD1-CE2 3.87Å; F185-F191 AromaticContact CD1-CZ 3.78Å; F185-F191 HydrophobicContact CD1-CZ 3.78Å; F185-F191 AromaticContact CD2-CE2 3.78Å; F185-F191 HydrophobicContact CD2-CE2 3.78Å; F185-F191 HydrophobicContact CD2-CZ 4.29Å; F185-F191 AromaticContact CE1-CE2 3.98Å; F185-F191 HydrophobicContact CE1-CE2 3.98Å; F185-F191 AromaticContact CE1-CZ 3.51Å; F185-F191 HydrophobicContact CE1-CZ 3.51Å; F185-F191 AromaticContact CE2-CE2 3.87Å; F185-F191 HydrophobicContact CE2-CE2 3.87Å; F185-F191 HydrophobicContact CE2-CZ 4.04Å; F185-F191 AromaticContact CG-CE2 3.78Å; F185-F191 HydrophobicContact CG-CE2 3.78Å; F185-F191 HydrophobicContact CG-CZ 4.17Å; F185-F191 AromaticContact CZ-CE2 3.98Å; F185-F191 HydrophobicContact CZ-CE2 3.98Å; F185-F191 AromaticContact CZ-CZ 3.65Å; F185-F191 HydrophobicContact CZ-CZ 3.65Å; T189-F191 HydrophobicContact CG2-CD2 4.04Å; T189-F191 HydrophobicContact CG2-CE2 3.39Å; T189-F191 HydrophobicContact CG2-CZ 3.72Å; F191-D193 PolarHBondContact O-N 3.32Å; F191-H194 HydrophobicContact CB-CB 4.17Å; F191-H194 HydrophobicContact CD1-CB 3.85Å; F191-H194 AromaticContact CD1-CD2 3.8Å; F191-H194 AromaticContact CD1-CG 3.68Å; F191-H194 WeakPolarHBondContact O-CB 3.39Å; F191-H194 PolarHBondContact O-N 3.07Å; F191-Y197 WeakPolarHBondContact O-CB 3.43Å; F191-I202 HydrophobicContact CB-CD1 4.07Å; F191-I202 HydrophobicContact CD1-CD1 3.81Å; F191-I202 HydrophobicContact CE1-CD1 4.46Å; F191-I202 HydrophobicContact CG-CD1 3.97Å; F191-L204 HydrophobicContact CB-CD2 3.92Å; F191-L204 HydrophobicContact CD2-CD2 4.41Å | ||
| 192 | H | 88.8 | Confident | 93.1 | Very high | 90 Ų | 90 | 42.4 Ų | 42.4 | 42% | 0.417 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -34.7 | -175.7 | -78.3 | -63.6 | 0 | 0 | 0 | 113.3 | D190 Y197 | D190-H192 WeakPolarHBondContact OD1-CB 3.41Å; D190-H192 IonicContact OD1-CD2 3.82Å; D190-H192 PolarHBondContact OD1-CD2 3.39Å; D190-H192 IonicContact OD1-CG 3.9Å; D190-H192 PolarHBondContact OD1-N 3.12Å; H192-Y197 AromaticContact ND1-CZ 3.99Å; H192-Y197 WeakPolarHBondContact O-CD1 3.32Å |
| 193 | D | 87.9 | Confident | 93.1 | Very high | 99 Ų | 99 | 42.5 Ų | 42.5 | 53% | 0.529 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -1.9 | 177.2 | -87 | -44.9 | 0 | 0 | 0 | 114.1 | K34 F191 K198 | K34-D193 IonicContact NZ-OD2 3.85Å; F191-D193 PolarHBondContact O-N 3.32Å; D193-K198 WeakPolarHBondContact O-CE 3.03Å; D193-K198 PolarHBondContact O-NZ 3.44Å; D193-K198 WeakPolarHBondContact OD1-CE 3.43Å; D193-K198 IonicContact OD1-NZ 2.92Å; D193-K198 PolarHBondContact OD1-NZ 2.74Å |
| 194 | H | 93.8 | Very high | 93 | Very high | 33 Ų | 33 | 44 Ų | 44 | 15% | 0.153 | 22% | 0.222 | C | C | . | . | trans | -72 | 146.2 | -174.1 | -161.2 | -93.1 | 0 | 0 | 0 | 113 | Y148 E152 F191 L196 Y197 K198 | Y148-H194 AromaticContact CE1-CE1 3.85Å; E152-H194 IonicContact OE1-NE2 3.5Å; E152-H194 IonicContact OE2-CE1 3.64Å; E152-H194 PolarHBondContact OE2-CE1 3.24Å; E152-H194 IonicContact OE2-NE2 2.87Å; E152-H194 PolarHBondContact OE2-NE2 3.37Å; F191-H194 HydrophobicContact CB-CB 4.17Å; F191-H194 HydrophobicContact CD1-CB 3.85Å; F191-H194 AromaticContact CD1-CD2 3.8Å; F191-H194 AromaticContact CD1-CG 3.68Å; F191-H194 WeakPolarHBondContact O-CB 3.39Å; F191-H194 PolarHBondContact O-N 3.07Å; H194-L196 PolarHBondContact ND1-N 3.44Å; H194-L196 PolarHBondContact O-N 3.14Å; H194-Y197 PolarHBondContact O-N 3.3Å; H194-Y197 VanDerWaalsContact O-N 3.17Å; H194-K198 PolarHBondContact O-N 3.24Å | ||
| 195 | F | 96.4 | Very high | 92.9 | Very high | 117 Ų | 117 | 44.3 Ų | 44.3 | 51% | 0.513 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -56.6 | -51 | 179.6 | 174 | -102.6 | 0 | 0 | 0 | 111.8 | Y197 K198 A199 | F195-Y197 PolarHBondContact O-N 2.88Å; F195-K198 PolarHBondContact O-N 3.13Å; F195-K198 VanDerWaalsContact O-N 3.16Å; F195-A199 HydrophobicContact CE1-CB 4.29Å; F195-A199 HydrophobicContact CE2-CB 4.33Å; F195-A199 HydrophobicContact CZ-CB 4.11Å; F195-A199 VanDerWaalsContact O-CB 3.25Å; F195-A199 WeakPolarHBondContact O-CB 3.17Å; F195-A199 PolarHBondContact O-N 3.17Å |
| 196 | L | 97.4 | Very high | 92.9 | Very high | 4 Ų | 4 | 45.7 Ų | 45.7 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -55.4 | -36.5 | 179.1 | -63.3 | 178.1 | 0 | 0 | 0 | 113 | T145 Y148 L149 H194 G200 H201 I202 | T145-L196 HydrophobicContact CG2-CD1 4.06Å; Y148-L196 HydrophobicContact CD1-CD1 3.62Å; Y148-L196 HydrophobicContact CD1-CD2 3.91Å; Y148-L196 HydrophobicContact CD1-CG 3.81Å; Y148-L196 HydrophobicContact CE1-CD1 4.05Å; Y148-L196 HydrophobicContact CE1-CD2 4.09Å; Y148-L196 HydrophobicContact CE1-CG 3.82Å; Y148-L196 HydrophobicContact CG-CD1 4.43Å; Y148-L196 HydrophobicContact CG-CD2 4.17Å; L149-L196 HydrophobicContact CD2-CD1 4.13Å; L149-L196 HydrophobicContact CG-CD1 4.23Å; H194-L196 PolarHBondContact ND1-N 3.44Å; H194-L196 PolarHBondContact O-N 3.14Å; L196-G200 PolarHBondContact O-N 2.93Å; L196-G200 VanDerWaalsContact O-N 3.15Å; L196-H201 HydrophobicContact CB-CB 4.21Å; L196-H201 HydrophobicContact CD2-CB 3.97Å; L196-H201 WeakPolarHBondContact O-CB 3.36Å; L196-H201 PolarHBondContact O-N 2.89Å; L196-I202 HydrophobicContact CB-CD1 3.83Å; L196-I202 HydrophobicContact CB-CG1 3.76Å; L196-I202 HydrophobicContact CB-CG2 4.2Å; L196-I202 HydrophobicContact CD1-CG2 4.4Å; L196-I202 PolarHBondContact O-N 3.3Å |
| 197 | Y | 96.6 | Very high | 93 | Very high | 43 Ų | 43 | 45.1 Ų | 45.1 | 17% | 0.169 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -74.9 | -44.9 | 178.6 | 177.5 | -102.1 | 0 | 0 | 0 | 111.8 | F191 H192 H194 F195 A199 G200 L204 R267 | F191-Y197 WeakPolarHBondContact O-CB 3.43Å; H192-Y197 AromaticContact ND1-CZ 3.99Å; H192-Y197 WeakPolarHBondContact O-CD1 3.32Å; H194-Y197 PolarHBondContact O-N 3.3Å; H194-Y197 VanDerWaalsContact O-N 3.17Å; F195-Y197 PolarHBondContact O-N 2.88Å; Y197-A199 VanDerWaalsContact C-N 3.3Å; Y197-A199 PolarHBondContact O-N 2.91Å; Y197-G200 PolarHBondContact O-N 3.22Å; Y197-L204 HydrophobicContact CD2-CD1 4.15Å; Y197-L204 HydrophobicContact CD2-CG 3.84Å; Y197-L204 HydrophobicContact CE2-CB 4.39Å; Y197-L204 HydrophobicContact CE2-CD1 3.88Å; Y197-L204 HydrophobicContact CE2-CG 3.7Å; Y197-R267 VanDerWaalsContact CZ-NH1 3.26Å; Y197-R267 VanDerWaalsContact CZ-NH2 3.32Å; Y197-R267 WeakPolarHBondContact O-CD 3.33Å; Y197-R267 PolarHBondContact O-NH1 3.42Å; Y197-R267 PolarHBondContact OH-NH2 2.6Å |
| 198 | K | 94.9 | Very high | 93.5 | Very high | 113 Ų | 113 | 43.7 Ų | 43.7 | 49% | 0.491 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.8 | -38.4 | 177 | -74.9 | 173.9 | 173.1 | 157.9 | 0 | 111.7 | D193 H194 F195 G200 R267 | D193-K198 WeakPolarHBondContact O-CE 3.03Å; D193-K198 PolarHBondContact O-NZ 3.44Å; D193-K198 WeakPolarHBondContact OD1-CE 3.43Å; D193-K198 IonicContact OD1-NZ 2.92Å; D193-K198 PolarHBondContact OD1-NZ 2.74Å; H194-K198 PolarHBondContact O-N 3.24Å; F195-K198 PolarHBondContact O-N 3.13Å; F195-K198 VanDerWaalsContact O-N 3.16Å; K198-G200 VanDerWaalsContact C-N 3.25Å; K198-G200 PolarHBondContact O-N 3.07Å; K198-R267 WeakPolarHBondContact O-CD 3.34Å |
| 199 | A | 96.1 | Very high | 94.2 | Very high | 21 Ų | 21 | 37.4 Ų | 37.4 | 17% | 0.174 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -8.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | K139 F195 Y197 H201 | K139-A199 WeakPolarHBondContact CE-O 3.49Å; K139-A199 PolarHBondContact NZ-O 3.04Å; F195-A199 HydrophobicContact CE1-CB 4.29Å; F195-A199 HydrophobicContact CE2-CB 4.33Å; F195-A199 HydrophobicContact CZ-CB 4.11Å; F195-A199 VanDerWaalsContact O-CB 3.25Å; F195-A199 WeakPolarHBondContact O-CB 3.17Å; F195-A199 PolarHBondContact O-N 3.17Å; Y197-A199 VanDerWaalsContact C-N 3.3Å; Y197-A199 PolarHBondContact O-N 2.91Å; A199-H201 VanDerWaalsContact C-N 3.3Å; A199-H201 PolarHBondContact O-N 2.9Å |
| 200 | G | 97 | Very high | 94.7 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.7 | 19.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115 | N136 L196 Y197 K198 I202 | N136-G200 WeakPolarHBondContact CB-O 3.29Å; N136-G200 PolarHBondContact ND2-O 3.15Å; L196-G200 PolarHBondContact O-N 2.93Å; L196-G200 VanDerWaalsContact O-N 3.15Å; Y197-G200 PolarHBondContact O-N 3.22Å; K198-G200 VanDerWaalsContact C-N 3.25Å; K198-G200 PolarHBondContact O-N 3.07Å; G200-I202 VanDerWaalsContact C-N 3.31Å |
| 201 | H | 98.1 | Very high | 95.2 | Very high | 43 Ų | 43 | 31.5 Ų | 31.5 | 20% | 0.199 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -75.1 | -25.8 | 172.7 | -65.6 | -173.8 | 0 | 0 | 0 | 111.6 | N136 T140 L196 A199 | N136-H201 WeakPolarHBondContact CB-O 3.34Å; N136-H201 PolarHBondContact N-O 3.14Å; T140-H201 HydrophobicContact CG2-CB 3.89Å; T140-H201 WeakPolarHBondContact CG2-O 3.4Å; L196-H201 HydrophobicContact CB-CB 4.21Å; L196-H201 HydrophobicContact CD2-CB 3.97Å; L196-H201 WeakPolarHBondContact O-CB 3.36Å; L196-H201 PolarHBondContact O-N 2.89Å; A199-H201 VanDerWaalsContact C-N 3.3Å; A199-H201 PolarHBondContact O-N 2.9Å |
| 202 | I | 98.2 | Very high | 95.4 | Very high | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 150.8 | 174 | 62.9 | 173.5 | 0 | 0 | 0 | 111.2 | V133 R134 T145 F191 L196 G200 | V133-I202 HydrophobicContact CG1-CB 3.5Å; V133-I202 HydrophobicContact CG1-CD1 3.86Å; V133-I202 HydrophobicContact CG1-CG1 4.12Å; V133-I202 HydrophobicContact CG1-CG2 3.9Å; R134-I202 CarbonylContact O-C 3.59Å; R134-I202 WeakPolarHBondContact O-CA 3.49Å; T145-I202 HydrophobicContact CG2-CG2 3.89Å; F191-I202 HydrophobicContact CB-CD1 4.07Å; F191-I202 HydrophobicContact CD1-CD1 3.81Å; F191-I202 HydrophobicContact CE1-CD1 4.46Å; F191-I202 HydrophobicContact CG-CD1 3.97Å; L196-I202 HydrophobicContact CB-CD1 3.83Å; L196-I202 HydrophobicContact CB-CG1 3.76Å; L196-I202 HydrophobicContact CB-CG2 4.2Å; L196-I202 HydrophobicContact CD1-CG2 4.4Å; L196-I202 PolarHBondContact O-N 3.3Å; G200-I202 VanDerWaalsContact C-N 3.31Å |
| 203 | I | 97.6 | Very high | 95.9 | Very high | 4 Ų | 4 | 27.1 Ų | 27.1 | 2% | 0.021 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 127.9 | 179.1 | -62 | 173.1 | 0 | 0 | 0 | 108.5 | R134 N136 Q205 A268 | R134-I203 PolarHBondContact N-O 2.92Å; R134-I203 VanDerWaalsContact NH2-CD1 3.29Å; R134-I203 PolarHBondContact O-N 2.83Å; N136-I203 HydrophobicContact CB-CD1 4.41Å; I203-Q205 HydrophobicContact CG2-CB 4.47Å; I203-Q205 PolarHBondContact O-N 3.38Å; I203-A268 HydrophobicContact CD1-CB 4.1Å |
| 204 | L | 94.9 | Very high | 96.3 | Very high | 33 Ų | 33 | 24.7 Ų | 24.7 | 17% | 0.173 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 106.1 | 177.5 | -56.4 | -178.5 | 0 | 0 | 0 | 109.2 | V133 F191 Y197 | V133-L204 HydrophobicContact CG1-CD2 4.36Å; V133-L204 HydrophobicContact CG2-CD2 3.78Å; F191-L204 HydrophobicContact CB-CD2 3.92Å; F191-L204 HydrophobicContact CD2-CD2 4.41Å; Y197-L204 HydrophobicContact CD2-CD1 4.15Å; Y197-L204 HydrophobicContact CD2-CG 3.84Å; Y197-L204 HydrophobicContact CE2-CB 4.39Å; Y197-L204 HydrophobicContact CE2-CD1 3.88Å; Y197-L204 HydrophobicContact CE2-CG 3.7Å |
| 205 | Q | 94.8 | Very high | 96.5 | Very high | 7 Ų | 7 | 24.2 Ų | 24.2 | 3% | 0.033 | 12% | 0.116 | C | C | . | . | trans | -148.2 | 129.4 | -174.7 | -173.6 | 172.3 | 1.6 | 0 | 0 | 108.9 | Y132 R134 I203 S209 C210 N233 | Y132-Q205 VanDerWaalsContact CB-O 3.32Å; Y132-Q205 WeakPolarHBondContact CB-O 3.48Å; R134-Q205 VanDerWaalsContact NH2-OE1 3.09Å; I203-Q205 HydrophobicContact CG2-CB 4.47Å; I203-Q205 PolarHBondContact O-N 3.38Å; Q205-S209 PolarHBondContact NE2-O 2.9Å; Q205-C210 VanDerWaalsContact CD-SG 3.52Å; Q205-C210 VanDerWaalsContact CG-SG 3.59Å; Q205-N233 HydrophobicContact CG-CB 4.32Å | ||
| 206 | D | 93.4 | Very high | 96.6 | Very high | 29 Ų | 29 | 18.6 Ų | 18.6 | 16% | 0.155 | 9% | 0.092 | C | C | . | . | trans | -58 | 143.8 | 173.6 | 176 | 84 | 0 | 0 | 0 | 110.8 | A208 S209 C210 H405 | D206-A208 VanDerWaalsContact C-N 3.34Å; D206-A208 PolarHBondContact O-N 2.65Å; D206-A208 WeakPolarHBondContact OD2-CA 3.35Å; D206-A208 VanDerWaalsContact OD2-CB 3.27Å; D206-A208 WeakPolarHBondContact OD2-CB 3.3Å; D206-A208 PolarHBondContact OD2-N 3.43Å; D206-S209 VanDerWaalsContact O-CB 3.31Å; D206-S209 WeakPolarHBondContact O-CB 3.39Å; D206-S209 PolarHBondContact O-N 3.14Å; D206-S209 VanDerWaalsContact O-N 3.09Å; D206-S209 PolarHBondContact OD2-N 3.01Å; D206-C210 PolarHBondContact O-N 3.35Å; D206-C210 PolarHBondContact O-SG 2.74Å; D206-C210 VanDerWaalsContact O-SG 3.39Å; D206-H405 IonicContact OD1-CD2 2.99Å; D206-H405 IonicContact OD1-CG 3.44Å; D206-H405 PolarHBondContact OD1-N 3.37Å | ||
| 207 | K | 94.5 | Very high | 96.5 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 0% | 0.004 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -57.6 | -42.9 | -178.4 | 165.3 | -178.6 | 177.4 | 173.8 | 0 | 112.4 | Y132 D176 H178 L179 S209 C210 T404 | Y132-K207 HydrophobicContact CD1-CB 3.67Å; Y132-K207 HydrophobicContact CD1-CD 4.39Å; Y132-K207 HydrophobicContact CD2-CB 3.81Å; Y132-K207 HydrophobicContact CE1-CB 3.76Å; Y132-K207 HydrophobicContact CE1-CD 3.75Å; Y132-K207 HydrophobicContact CE1-CG 4.37Å; Y132-K207 HydrophobicContact CE2-CB 3.91Å; Y132-K207 HydrophobicContact CG-CB 3.68Å; D176-K207 VanDerWaalsContact CG-CE 3.48Å; D176-K207 WeakPolarHBondContact OD1-CE 3.14Å; D176-K207 IonicContact OD1-NZ 2.93Å; D176-K207 PolarHBondContact OD1-NZ 3.43Å; D176-K207 VanDerWaalsContact OD2-CD 3.29Å; D176-K207 WeakPolarHBondContact OD2-CD 3.47Å; D176-K207 WeakPolarHBondContact OD2-CE 3.43Å; D176-K207 IonicContact OD2-NZ 3.53Å; D176-K207 PolarHBondContact OD2-NZ 3.06Å; H178-K207 WeakPolarHBondContact ND1-CE 3.48Å; H178-K207 PolarHBondContact ND1-NZ 2.86Å; H178-K207 VanDerWaalsContact ND1-NZ 3.18Å; L179-K207 HydrophobicContact CD1-CG 4.12Å; L179-K207 WeakPolarHBondContact CD1-O 3.32Å; K207-S209 VanDerWaalsContact C-N 3.28Å; K207-S209 PolarHBondContact O-N 3.44Å; K207-C210 WeakPolarHBondContact O-CB 3.35Å; K207-C210 PolarHBondContact O-N 3.05Å; K207-T404 HydrophobicContact CB-CG2 3.69Å; K207-T404 HydrophobicContact CD-CG2 3.9Å; K207-T404 HydrophobicContact CG-CG2 3.91Å |
| 208 | A | 95.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -66.5 | -34.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | D206 C210 L211 P212 A397 T404 F407 | D206-A208 VanDerWaalsContact C-N 3.34Å; D206-A208 PolarHBondContact O-N 2.65Å; D206-A208 WeakPolarHBondContact OD2-CA 3.35Å; D206-A208 VanDerWaalsContact OD2-CB 3.27Å; D206-A208 WeakPolarHBondContact OD2-CB 3.3Å; D206-A208 PolarHBondContact OD2-N 3.43Å; A208-C210 PolarHBondContact O-N 2.8Å; A208-L211 HydrophobicContact CB-CD1 4.46Å; A208-L211 WeakPolarHBondContact O-CB 3.29Å; A208-L211 PolarHBondContact O-N 3.18Å; A208-L211 VanDerWaalsContact O-N 3.11Å; A208-P212 WeakPolarHBondContact O-CD 3.36Å; A208-A397 HydrophobicContact CB-CB 3.86Å; A208-T404 HydrophobicContact CB-CG2 4.26Å; A208-F407 HydrophobicContact CB-CB 3.59Å; A208-F407 HydrophobicContact CB-CD1 4.05Å; A208-F407 HydrophobicContact CB-CG 3.85Å; A208-F407 WeakPolarHBondContact O-CD1 3.33Å; A208-F407 WeakPolarHBondContact O-CE1 3.35Å |
| 209 | S | 95.6 | Very high | 96.8 | Very high | 18 Ų | 18 | 18.9 Ų | 18.9 | 13% | 0.126 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -66 | -15.7 | 174.1 | -157.9 | 0 | 0 | 0 | 0 | 114 | Q205 D206 K207 K234 | Q205-S209 PolarHBondContact NE2-O 2.9Å; D206-S209 VanDerWaalsContact O-CB 3.31Å; D206-S209 WeakPolarHBondContact O-CB 3.39Å; D206-S209 PolarHBondContact O-N 3.14Å; D206-S209 VanDerWaalsContact O-N 3.09Å; D206-S209 PolarHBondContact OD2-N 3.01Å; K207-S209 VanDerWaalsContact C-N 3.28Å; K207-S209 PolarHBondContact O-N 3.44Å; S209-K234 PolarHBondContact OG-NZ 2.9Å |
| 210 | C | 97.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -84 | -21.6 | 175 | -63.6 | 0 | 0 | 0 | 0 | 112.8 | L179 V182 Q205 D206 K207 A208 H214 H237 | L179-C210 HydrophobicContact CD1-CB 3.44Å; L179-C210 VanDerWaalsContact CD1-CB 3.44Å; V182-C210 HydrophobicContact CG2-CB 4.31Å; Q205-C210 VanDerWaalsContact CD-SG 3.52Å; Q205-C210 VanDerWaalsContact CG-SG 3.59Å; D206-C210 PolarHBondContact O-N 3.35Å; D206-C210 PolarHBondContact O-SG 2.74Å; D206-C210 VanDerWaalsContact O-SG 3.39Å; K207-C210 WeakPolarHBondContact O-CB 3.35Å; K207-C210 PolarHBondContact O-N 3.05Å; A208-C210 PolarHBondContact O-N 2.8Å; C210-H214 WeakPolarHBondContact O-CB 3.08Å; C210-H214 PolarHBondContact O-N 3.25Å; C210-H237 PolarHBondContact O-CE1 3.4Å; C210-H237 PolarHBondContact O-ND1 2.91Å |
| 211 | L | 97.5 | Very high | 96.9 | Very high | 2 Ų | 2 | 22.9 Ų | 22.9 | 1% | 0.01 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -57.5 | -45.9 | -178 | -67.4 | 170 | 0 | 0 | 0 | 113.4 | L179 A208 A213 H214 L215 L380 W383 V409 | L179-L211 HydrophobicContact CD2-CD2 4.33Å; A208-L211 HydrophobicContact CB-CD1 4.46Å; A208-L211 WeakPolarHBondContact O-CB 3.29Å; A208-L211 PolarHBondContact O-N 3.18Å; A208-L211 VanDerWaalsContact O-N 3.11Å; L211-A213 PolarHBondContact O-N 2.93Å; L211-H214 PolarHBondContact O-N 2.84Å; L211-L215 HydrophobicContact CB-CD1 4.11Å; L211-L215 WeakPolarHBondContact O-CB 3.46Å; L211-L215 VanDerWaalsContact O-CG 3.22Å; L211-L215 WeakPolarHBondContact O-CG 3.17Å; L211-L215 PolarHBondContact O-N 2.76Å; L211-L380 HydrophobicContact CD2-CD2 3.84Å; L211-W383 HydrophobicContact CD1-CD2 4.47Å; L211-W383 HydrophobicContact CD1-CE3 4.33Å; L211-W383 HydrophobicContact CD1-CH2 3.76Å; L211-W383 HydrophobicContact CD1-CZ2 3.89Å; L211-W383 HydrophobicContact CD1-CZ3 3.96Å; L211-W383 HydrophobicContact CD2-CE3 4.14Å; L211-W383 HydrophobicContact CD2-CZ3 3.96Å; L211-W383 HydrophobicContact CG-CH2 4.49Å; L211-W383 HydrophobicContact CG-CZ3 4.36Å; L211-V409 HydrophobicContact CB-CG2 4.13Å; L211-V409 HydrophobicContact CD1-CG2 4.36Å |
| 212 | P | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.8 | -46.8 | -171 | -28.7 | 38.4 | 0 | 0 | 0 | 113.7 | A208 L216 K234 L297 V349 S351 F407 V409 | A208-P212 WeakPolarHBondContact O-CD 3.36Å; P212-L216 WeakPolarHBondContact O-CB 3.22Å; P212-L216 PolarHBondContact O-N 3.32Å; P212-K234 HydrophobicContact CB-CD 4.4Å; P212-K234 HydrophobicContact CG-CD 4.41Å; P212-L297 HydrophobicContact CB-CD1 3.95Å; P212-L297 HydrophobicContact CB-CG 4.28Å; P212-V349 HydrophobicContact CB-CG1 3.78Å; P212-S351 WeakPolarHBondContact CG-OG 3.25Å; P212-F407 HydrophobicContact CG-CE1 3.68Å; P212-F407 HydrophobicContact CG-CZ 4.14Å; P212-V409 HydrophobicContact CG-CG2 4.14Å |
| 213 | A | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -68.6 | -40.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L211 L215 L216 H217 H237 L238 I241 L297 | L211-A213 PolarHBondContact O-N 2.93Å; A213-L215 PolarHBondContact O-N 3Å; A213-L216 PolarHBondContact O-N 3.21Å; A213-H217 PolarHBondContact O-N 2.83Å; A213-H217 VanDerWaalsContact O-N 3.12Å; A213-H237 HydrophobicContact CB-CB 3.84Å; A213-L238 HydrophobicContact CB-CD2 3.76Å; A213-L238 HydrophobicContact CB-CG 3.93Å; A213-I241 VanDerWaalsContact C-CD1 3.49Å; A213-I241 HydrophobicContact CB-CD1 4.17Å; A213-I241 WeakPolarHBondContact O-CD1 3.47Å; A213-L297 HydrophobicContact CB-CD1 4.13Å |
| 214 | H | 97.6 | Very high | 96.9 | Very high | 48 Ų | 48 | 22.5 Ų | 22.5 | 22% | 0.222 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.8 | -43.3 | 178.2 | 177.8 | 76.5 | 0 | 0 | 0 | 112.3 | L179 C210 L211 H217 | L179-H214 HydrophobicContact CD2-CB 3.89Å; L179-H214 VanDerWaalsContact CD2-CD2 3.49Å; L179-H214 WeakPolarHBondContact CD2-CD2 3.42Å; L179-H214 VanDerWaalsContact CD2-CG 3.47Å; C210-H214 WeakPolarHBondContact O-CB 3.08Å; C210-H214 PolarHBondContact O-N 3.25Å; L211-H214 PolarHBondContact O-N 2.84Å; H214-H217 WeakPolarHBondContact O-CB 3.13Å |
| 215 | L | 97.3 | Very high | 97.1 | Very high | 22 Ų | 22 | 20.9 Ų | 20.9 | 12% | 0.115 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -76 | -36.5 | -179.2 | -63.9 | 169.6 | 0 | 0 | 0 | 112.2 | L211 A213 H217 L379 L380 L395 V409 | L211-L215 HydrophobicContact CB-CD1 4.11Å; L211-L215 WeakPolarHBondContact O-CB 3.46Å; L211-L215 VanDerWaalsContact O-CG 3.22Å; L211-L215 WeakPolarHBondContact O-CG 3.17Å; L211-L215 PolarHBondContact O-N 2.76Å; A213-L215 PolarHBondContact O-N 3Å; L215-H217 PolarHBondContact O-N 3.38Å; L215-L379 HydrophobicContact CB-CD2 4.4Å; L215-L379 HydrophobicContact CD1-CD1 4.07Å; L215-L379 HydrophobicContact CD1-CD2 4.29Å; L215-L379 HydrophobicContact CD2-CD2 4.26Å; L215-L380 HydrophobicContact CD2-CB 4.24Å; L215-L395 HydrophobicContact CD1-CD1 3.95Å; L215-V409 HydrophobicContact CD1-CG1 3.99Å |
| 216 | L | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61.5 | -37.2 | 174.9 | -172.9 | 61.9 | 0 | 0 | 0 | 111.1 | P212 A213 V224 L238 Y295 L297 R347 V349 | P212-L216 WeakPolarHBondContact O-CB 3.22Å; P212-L216 PolarHBondContact O-N 3.32Å; A213-L216 PolarHBondContact O-N 3.21Å; L216-V224 HydrophobicContact CD2-CG1 4.3Å; L216-L238 HydrophobicContact CD2-CD2 3.93Å; L216-Y295 HydrophobicContact CD1-CD1 4Å; L216-Y295 HydrophobicContact CG-CD1 4.39Å; L216-L297 HydrophobicContact CD2-CB 3.99Å; L216-R347 HydrophobicContact CD1-CB 4.12Å; L216-R347 PolarHBondContact O-NH1 3.49Å; L216-V349 HydrophobicContact CB-CB 4.39Å; L216-V349 HydrophobicContact CB-CG2 3.75Å; L216-V349 HydrophobicContact CD1-CG2 3.92Å; L216-V349 HydrophobicContact CG-CG2 4.39Å |
| 217 | H | 96.8 | Very high | 97.5 | Very high | 110 Ų | 110 | 19.3 Ų | 19.3 | 51% | 0.509 | 12% | 0.115 | S | C | . | . | trans | 40.8 | 55.8 | 173.6 | -152.7 | 86.9 | 0 | 0 | 0 | 114.6 | A213 H214 L215 | A213-H217 PolarHBondContact O-N 2.83Å; A213-H217 VanDerWaalsContact O-N 3.12Å; H214-H217 WeakPolarHBondContact O-CB 3.13Å; L215-H217 PolarHBondContact O-N 3.38Å | ||
| 218 | P | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | P | Polyproline II helix | trans | -66.1 | 133.7 | -180 | 27.6 | -34.9 | 0 | 0 | 0 | 110.7 | V224 L238 I241 M242 Y295 | P218-V224 HydrophobicContact CB-CG2 3.59Å; P218-V224 HydrophobicContact CG-CG2 4.03Å; P218-L238 HydrophobicContact CG-CD2 3.95Å; P218-I241 HydrophobicContact CG-CG2 4.43Å; P218-M242 HydrophobicContact CB-CG 4.1Å; P218-M242 HydrophobicContact CB-SD 4.43Å; P218-M242 HydrophobicContact CG-CG 3.7Å; P218-M242 HydrophobicContact CG-SD 4.09Å; P218-Y295 HydrophobicContact CB-CD2 3.97Å; P218-Y295 HydrophobicContact CB-CE2 4.49Å; P218-Y295 HydrophobicContact CB-CG 4Å |
| 219 | P | 98.1 | Very high | 97.4 | Very high | 56 Ų | 56 | 20.5 Ų | 20.5 | 36% | 0.364 | 12% | 0.124 | S | C | . | . | P | Polyproline II helix | trans | -68.1 | 147.6 | 179.7 | 27.7 | -31.6 | 0 | 0 | 0 | 111.2 | G221 S222 Y295 | P219-G221 PolarHBondContact O-N 2.88Å; P219-S222 WeakPolarHBondContact O-CB 3.29Å; P219-S222 PolarHBondContact O-N 2.83Å; P219-S222 VanDerWaalsContact O-N 3.11Å; P219-S222 PolarHBondContact O-OG 3Å; P219-Y295 VanDerWaalsContact CD-CE2 3.44Å; P219-Y295 VanDerWaalsContact CD-CZ 3.48Å; P219-Y295 WeakPolarHBondContact CD-OH 3.38Å; P219-Y295 HydrophobicContact CG-CE2 4.12Å |
| 220 | P | 98.3 | Very high | 97.1 | Very high | 65 Ų | 65 | 19.8 Ų | 19.8 | 42% | 0.422 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | 128 | 173.2 | -27.3 | 35.7 | 0 | 0 | 0 | 111.8 | M242 K243 R245 | P220-M242 WeakPolarHBondContact CA-O 3.33Å; P220-M242 WeakPolarHBondContact CB-O 3.42Å; P220-K243 HydrophobicContact CG-CB 4.48Å; P220-K243 HydrophobicContact CG-CD 4.18Å; P220-K243 HydrophobicContact CG-CG 4.21Å; P220-R245 HydrophobicContact CB-CB 4.23Å |
| 221 | G | 97.5 | Very high | 96.7 | Very high | 41 Ų | 41 | 22.3 Ų | 22.3 | 42% | 0.423 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 100.5 | -15.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | P219 R245 G246 | P219-G221 PolarHBondContact O-N 2.88Å; G221-R245 PolarHBondContact N-O 3.49Å; G221-G246 WeakPolarHBondContact O-CA 3.19Å |
| 222 | S | 97.9 | Very high | 96.6 | Very high | 7 Ų | 7 | 22.2 Ų | 22.2 | 5% | 0.049 | 14% | 0.135 | C | C | . | . | trans | -69.4 | 166.4 | 178.2 | 66.2 | 0 | 0 | 0 | 0 | 112.9 | P219 M242 G246 R247 | P219-S222 WeakPolarHBondContact O-CB 3.29Å; P219-S222 PolarHBondContact O-N 2.83Å; P219-S222 VanDerWaalsContact O-N 3.11Å; P219-S222 PolarHBondContact O-OG 3Å; S222-M242 WeakPolarHBondContact O-CE 3.46Å; S222-G246 WeakPolarHBondContact O-CA 3.34Å; S222-R247 PolarHBondContact O-N 3.21Å; S222-R247 VanDerWaalsContact O-N 3.15Å | ||
| 223 | H | 98.4 | Very high | 96.5 | Very high | 33 Ų | 33 | 24.2 Ų | 24.2 | 15% | 0.153 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 130.2 | 170.2 | -66.6 | -170.5 | 0 | 0 | 0 | 110.5 | R247 F249 D292 V293 E294 Y295 | H223-R247 CarbonylContact C-O 3.58Å; H223-R247 WeakPolarHBondContact CA-O 3.18Å; H223-F249 HydrophobicContact CB-CE2 4.33Å; H223-D292 WeakPolarHBondContact CB-O 3.37Å; H223-D292 VanDerWaalsContact ND1-CB 3.33Å; H223-D292 WeakPolarHBondContact ND1-CB 3.35Å; H223-V293 HydrophobicContact CB-CG2 4.17Å; H223-E294 PolarHBondContact O-N 3.15Å; H223-E294 VanDerWaalsContact O-N 3.09Å; H223-Y295 PolarHBondContact O-N 2.9Å |
| 224 | V | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 140 | -171.6 | -172.5 | 0 | 0 | 0 | 0 | 109.7 | L216 P218 L238 M242 R247 L248 F249 Y295 | L216-V224 HydrophobicContact CD2-CG1 4.3Å; P218-V224 HydrophobicContact CB-CG2 3.59Å; P218-V224 HydrophobicContact CG-CG2 4.03Å; V224-L238 HydrophobicContact CG1-CD1 4.06Å; V224-M242 HydrophobicContact CB-SD 4.13Å; V224-M242 HydrophobicContact CG2-CE 3.74Å; V224-M242 HydrophobicContact CG2-SD 3.46Å; V224-M242 WeakPolarHBondContact CG2-SD 3.19Å; V224-R247 PolarHBondContact N-O 3.28Å; V224-L248 HydrophobicContact CB-CD1 3.77Å; V224-L248 HydrophobicContact CG1-CD1 3.84Å; V224-L248 CarbonylContact O-C 3.56Å; V224-L248 WeakPolarHBondContact O-CA 3.45Å; V224-F249 PolarHBondContact O-N 3.49Å; V224-Y295 CarbonylContact C-O 3.56Å; V224-Y295 VanDerWaalsContact CA-O 3.26Å; V224-Y295 WeakPolarHBondContact CA-O 3.43Å; V224-Y295 HydrophobicContact CG2-CD2 4.4Å |
| 225 | I | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 134.7 | 167.2 | -66.5 | 174.7 | 0 | 0 | 0 | 109.6 | A227 F249 F251 F280 V293 Y295 I296 L297 F342 | I225-A227 HydrophobicContact CG2-CB 4.27Å; I225-F249 CarbonylContact C-O 3.57Å; I225-F249 WeakPolarHBondContact CA-O 3.14Å; I225-F249 HydrophobicContact CG1-CB 4.15Å; I225-F249 HydrophobicContact CG1-CD2 4.15Å; I225-F251 HydrophobicContact CD1-CE2 4.42Å; I225-F251 HydrophobicContact CG1-CE2 4.33Å; I225-F251 HydrophobicContact CG2-CD2 3.85Å; I225-F251 HydrophobicContact CG2-CE2 3.81Å; I225-F280 HydrophobicContact CG2-CD2 4.48Å; I225-F280 HydrophobicContact CG2-CE2 3.88Å; I225-V293 HydrophobicContact CB-CG1 4.43Å; I225-V293 HydrophobicContact CD1-CB 4.35Å; I225-V293 HydrophobicContact CD1-CG1 3.84Å; I225-V293 HydrophobicContact CD1-CG2 3.94Å; I225-V293 HydrophobicContact CG1-CB 4.47Å; I225-V293 HydrophobicContact CG1-CG1 3.79Å; I225-V293 HydrophobicContact CG1-CG2 3.87Å; I225-Y295 PolarHBondContact N-O 3Å; I225-I296 HydrophobicContact CB-CG1 4.12Å; I225-I296 HydrophobicContact CB-CG2 4.44Å; I225-I296 HydrophobicContact CG2-CG2 4.45Å; I225-I296 CarbonylContact O-C 3.57Å; I225-I296 WeakPolarHBondContact O-CA 3.32Å; I225-L297 PolarHBondContact O-N 3.28Å; I225-F342 HydrophobicContact CD1-CD1 3.92Å; I225-F342 HydrophobicContact CD1-CE1 3.29Å; I225-F342 HydrophobicContact CD1-CE2 4.24Å; I225-F342 HydrophobicContact CD1-CZ 3.48Å; I225-F342 VanDerWaalsContact CD1-CZ 3.48Å |
| 226 | D | 98.4 | Very high | 96.5 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 104.5 | 159.6 | -168.4 | -14.3 | 0 | 0 | 0 | 107.6 | A229 T235 L238 F249 A250 F251 | D226-A229 HydrophobicContact CB-CB 3.78Å; D226-A229 WeakPolarHBondContact OD1-CA 3.43Å; D226-T235 HydrophobicContact CB-CG2 4.49Å; D226-T235 WeakPolarHBondContact OD2-CA 3.33Å; D226-T235 WeakPolarHBondContact OD2-CB 3.44Å; D226-T235 PolarHBondContact OD2-N 3.04Å; D226-T235 PolarHBondContact OD2-OG1 3.32Å; D226-L238 HydrophobicContact CB-CD1 4.35Å; D226-F249 PolarHBondContact N-O 2.95Å; D226-A250 HydrophobicContact CB-CB 4.49Å; D226-A250 WeakPolarHBondContact O-CA 3.45Å; D226-F251 PolarHBondContact O-N 3.05Å |
| 227 | A | 97.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.008 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -24.6 | -165.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | I225 F251 F280 L297 L298 | I225-A227 HydrophobicContact CG2-CB 4.27Å; A227-F251 CarbonylContact C-O 3.53Å; A227-F280 HydrophobicContact CB-CD1 3.67Å; A227-F280 HydrophobicContact CB-CD2 3.82Å; A227-F280 HydrophobicContact CB-CE1 3.66Å; A227-F280 HydrophobicContact CB-CE2 3.84Å; A227-F280 HydrophobicContact CB-CG 3.73Å; A227-F280 HydrophobicContact CB-CZ 3.75Å; A227-F280 WeakPolarHBondContact O-CB 3.24Å; A227-L297 PolarHBondContact N-O 3.35Å; A227-L298 HydrophobicContact CB-CD1 3.75Å |
| 228 | C | 94.4 | Very high | 96.6 | Very high | 22 Ų | 22 | 17 Ų | 17 | 15% | 0.149 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -141.1 | 67.3 | -178.2 | -72.5 | 0 | 0 | 0 | 0 | 108.4 | F251 D299 | C228-F251 CarbonylContact C-O 3.59Å; C228-F251 WeakPolarHBondContact CA-O 3.31Å; C228-D299 WeakPolarHBondContact CB-O 3.16Å |
| 229 | A | 93.1 | Very high | 96.7 | Very high | 5 Ų | 5 | 17 Ų | 17 | 4% | 0.041 | 11% | 0.111 | C | C | . | . | trans | -86.5 | -28.4 | -151.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | D226 G232 T235 A250 F251 M261 | D226-A229 HydrophobicContact CB-CB 3.78Å; D226-A229 WeakPolarHBondContact OD1-CA 3.43Å; A229-G232 VanDerWaalsContact O-CA 3.28Å; A229-G232 WeakPolarHBondContact O-CA 3.47Å; A229-G232 PolarHBondContact O-N 3.4Å; A229-T235 PolarHBondContact O-OG1 3.03Å; A229-A250 HydrophobicContact CB-CB 3.66Å; A229-F251 PolarHBondContact N-O 3.07Å; A229-M261 HydrophobicContact CB-CE 3.68Å; A229-M261 HydrophobicContact CB-SD 3.97Å | ||
| 230 | A | 89.1 | Confident | 96.7 | Very high | 3 Ų | 3 | 14.6 Ų | 14.6 | 3% | 0.025 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | 144.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | D252 R257 L258 M261 | A230-D252 HydrophobicContact CB-CB 3.77Å; A230-D252 VanDerWaalsContact CB-CG 3.46Å; A230-D252 WeakPolarHBondContact CB-OD2 3.27Å; A230-D252 PolarHBondContact N-OD2 2.83Å; A230-R257 HydrophobicContact CB-CB 3.52Å; A230-R257 PolarHBondContact O-NH2 3.44Å; A230-L258 HydrophobicContact CB-CD2 4.45Å; A230-M261 HydrophobicContact CB-CB 4.29Å; A230-M261 HydrophobicContact CB-SD 4.16Å |
| 231 | P | 90.9 | Very high | 96.7 | Very high | 53 Ų | 53 | 12.9 Ų | 12.9 | 34% | 0.344 | 8% | 0.083 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -86.9 | 16.5 | 8.6 | 36.6 | -37.6 | 0 | 0 | 0 | 115 | T260 M261 | P231-T260 HydrophobicContact CB-CG2 4.17Å; P231-M261 VanDerWaalsContact O-CA 3.29Å; P231-M261 WeakPolarHBondContact O-CA 3.18Å |
| 232 | G | 93.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.063 | C | C | . | . | trans | 95.6 | 5.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | A229 K234 T235 S236 L264 | A229-G232 VanDerWaalsContact O-CA 3.28Å; A229-G232 WeakPolarHBondContact O-CA 3.47Å; A229-G232 PolarHBondContact O-N 3.4Å; G232-K234 PolarHBondContact O-N 3.25Å; G232-T235 PolarHBondContact O-N 2.89Å; G232-S236 WeakPolarHBondContact O-CB 3.46Å; G232-S236 PolarHBondContact O-N 3.26Å; G232-S236 PolarHBondContact O-OG 3.34Å; G232-L264 WeakPolarHBondContact O-CD2 3.49Å | ||
| 233 | N | 96 | Very high | 96.7 | Very high | 41 Ų | 41 | 17.6 Ų | 17.6 | 22% | 0.219 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -59.9 | -47.7 | 178.5 | -81 | -17.9 | 0 | 0 | 0 | 111.7 | R134 Q205 S236 H237 L264 | R134-N233 PolarHBondContact NH2-O 3.14Å; Q205-N233 HydrophobicContact CG-CB 4.32Å; N233-S236 PolarHBondContact O-OG 2.79Å; N233-H237 PolarHBondContact O-N 3.02Å; N233-L264 VanDerWaalsContact OD1-CD1 3.24Å; N233-L264 WeakPolarHBondContact OD1-CD1 3.36Å |
| 234 | K | 97.6 | Very high | 96.7 | Very high | 18 Ų | 18 | 17.9 Ų | 17.9 | 8% | 0.078 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -72 | -40.9 | 178.4 | -61.7 | -174.4 | -178.2 | 70.9 | 0 | 111.6 | S209 P212 G232 S236 H237 L238 L297 D299 | S209-K234 PolarHBondContact OG-NZ 2.9Å; P212-K234 HydrophobicContact CB-CD 4.4Å; P212-K234 HydrophobicContact CG-CD 4.41Å; G232-K234 PolarHBondContact O-N 3.25Å; K234-S236 PolarHBondContact O-N 3.28Å; K234-H237 CarbonylContact O-C 3.6Å; K234-H237 WeakPolarHBondContact O-CA 3.38Å; K234-H237 WeakPolarHBondContact O-CB 3.31Å; K234-H237 PolarHBondContact O-N 3.13Å; K234-L238 PolarHBondContact O-N 2.64Å; K234-L297 HydrophobicContact CB-CD1 4.06Å; K234-L297 HydrophobicContact CB-CD2 4.36Å; K234-L297 HydrophobicContact CD-CD1 4.27Å; K234-L297 HydrophobicContact CD-CD2 3.78Å; K234-D299 HydrophobicContact CD-CB 3.99Å; K234-D299 VanDerWaalsContact CE-CG 3.43Å; K234-D299 WeakPolarHBondContact CE-OD1 3.48Å; K234-D299 WeakPolarHBondContact CE-OD2 3.11Å; K234-D299 IonicContact NZ-OD1 3.63Å; K234-D299 PolarHBondContact NZ-OD1 3.06Å; K234-D299 IonicContact NZ-OD2 3.82Å; K234-D299 PolarHBondContact NZ-OD2 3.04Å |
| 235 | T | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -57.2 | -45.4 | 174.7 | -34.1 | 0 | 0 | 0 | 0 | 112.5 | D226 A229 G232 H237 L238 A239 L248 A250 M261 L265 | D226-T235 HydrophobicContact CB-CG2 4.49Å; D226-T235 WeakPolarHBondContact OD2-CA 3.33Å; D226-T235 WeakPolarHBondContact OD2-CB 3.44Å; D226-T235 PolarHBondContact OD2-N 3.04Å; D226-T235 PolarHBondContact OD2-OG1 3.32Å; A229-T235 PolarHBondContact O-OG1 3.03Å; G232-T235 PolarHBondContact O-N 2.89Å; T235-H237 VanDerWaalsContact C-N 3.25Å; T235-H237 PolarHBondContact O-N 2.07Å; T235-L238 PolarHBondContact O-N 3.19Å; T235-A239 PolarHBondContact O-N 3.1Å; T235-L248 HydrophobicContact CG2-CD2 3.42Å; T235-L248 VanDerWaalsContact CG2-CD2 3.42Å; T235-L248 HydrophobicContact CG2-CG 3.93Å; T235-L248 WeakPolarHBondContact O-CD2 3.47Å; T235-A250 HydrophobicContact CG2-CB 4.04Å; T235-M261 HydrophobicContact CG2-CE 3.47Å; T235-M261 VanDerWaalsContact CG2-CE 3.47Å; T235-M261 WeakPolarHBondContact OG1-CE 3.28Å; T235-L265 HydrophobicContact CG2-CD2 4.43Å |
| 236 | S | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.2 | -30.6 | 176.1 | 70.1 | 0 | 0 | 0 | 0 | 112.7 | R134 G232 N233 K234 A240 | R134-S236 PolarHBondContact NH2-OG 3.47Å; G232-S236 WeakPolarHBondContact O-CB 3.46Å; G232-S236 PolarHBondContact O-N 3.26Å; G232-S236 PolarHBondContact O-OG 3.34Å; N233-S236 PolarHBondContact O-OG 2.79Å; K234-S236 PolarHBondContact O-N 3.28Å; S236-A240 WeakPolarHBondContact O-CB 3.42Å; S236-A240 PolarHBondContact O-N 3.34Å; S236-A240 VanDerWaalsContact O-N 3.12Å |
| 237 | H | 98.5 | Very high | 96.6 | Very high | 12 Ų | 12 | 33 Ų | 33 | 6% | 0.056 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -72.1 | -43.1 | 175.6 | -163.7 | -176.1 | 0 | 0 | 0 | 111.2 | C210 A213 N233 K234 T235 A239 A240 I241 | C210-H237 PolarHBondContact O-CE1 3.4Å; C210-H237 PolarHBondContact O-ND1 2.91Å; A213-H237 HydrophobicContact CB-CB 3.84Å; N233-H237 PolarHBondContact O-N 3.02Å; K234-H237 CarbonylContact O-C 3.6Å; K234-H237 WeakPolarHBondContact O-CA 3.38Å; K234-H237 WeakPolarHBondContact O-CB 3.31Å; K234-H237 PolarHBondContact O-N 3.13Å; T235-H237 VanDerWaalsContact C-N 3.25Å; T235-H237 PolarHBondContact O-N 2.07Å; H237-A239 VanDerWaalsContact C-N 3.34Å; H237-A239 PolarHBondContact O-N 3.32Å; H237-A240 WeakPolarHBondContact O-CB 3.42Å; H237-A240 PolarHBondContact O-N 2.81Å; H237-I241 WeakPolarHBondContact O-CG1 3.49Å; H237-I241 PolarHBondContact O-N 2.97Å |
| 238 | L | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -57.4 | -47.1 | 172.6 | -70.2 | 172.2 | 0 | 0 | 0 | 111.2 | A213 L216 P218 V224 D226 K234 T235 A240 I241 M242 L248 L297 | A213-L238 HydrophobicContact CB-CD2 3.76Å; A213-L238 HydrophobicContact CB-CG 3.93Å; L216-L238 HydrophobicContact CD2-CD2 3.93Å; P218-L238 HydrophobicContact CG-CD2 3.95Å; V224-L238 HydrophobicContact CG1-CD1 4.06Å; D226-L238 HydrophobicContact CB-CD1 4.35Å; K234-L238 PolarHBondContact O-N 2.64Å; T235-L238 PolarHBondContact O-N 3.19Å; L238-A240 VanDerWaalsContact C-N 3.28Å; L238-A240 PolarHBondContact O-N 3.35Å; L238-I241 PolarHBondContact O-N 3.37Å; L238-M242 WeakPolarHBondContact O-CB 3.34Å; L238-M242 VanDerWaalsContact O-CG 3.24Å; L238-M242 WeakPolarHBondContact O-CG 3.45Å; L238-M242 PolarHBondContact O-N 3.33Å; L238-L248 HydrophobicContact CB-CD1 4.21Å; L238-L248 HydrophobicContact CB-CD2 4.18Å; L238-L248 HydrophobicContact CD1-CD1 3.92Å; L238-L297 HydrophobicContact CD1-CB 4.02Å; L238-L297 HydrophobicContact CD1-CD1 3.84Å; L238-L297 HydrophobicContact CD2-CD1 4.17Å; L238-L297 HydrophobicContact CG-CD1 4.12Å |
| 239 | A | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.7 | -38 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | L138 T235 H237 M242 K243 N244 L248 V270 | L138-A239 HydrophobicContact CD1-CB 4.36Å; T235-A239 PolarHBondContact O-N 3.1Å; H237-A239 VanDerWaalsContact C-N 3.34Å; H237-A239 PolarHBondContact O-N 3.32Å; A239-M242 CarbonylContact O-C 3.55Å; A239-M242 PolarHBondContact O-N 2.99Å; A239-K243 PolarHBondContact O-N 3.17Å; A239-K243 VanDerWaalsContact O-N 3.08Å; A239-N244 PolarHBondContact O-N 2.83Å; A239-L248 HydrophobicContact CB-CD2 4.12Å; A239-V270 HydrophobicContact CB-CB 4.18Å; A239-V270 HydrophobicContact CB-CG1 3.41Å; A239-V270 VanDerWaalsContact CB-CG1 3.41Å; A239-V270 HydrophobicContact CB-CG2 3.76Å |
| 240 | A | 98.3 | Very high | 97 | Very high | 5 Ų | 5 | 31.8 Ų | 31.8 | 4% | 0.041 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.4 | -45 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L138 S236 H237 L238 M242 K243 | L138-A240 HydrophobicContact CD1-CB 4.39Å; L138-A240 HydrophobicContact CG-CB 4Å; S236-A240 WeakPolarHBondContact O-CB 3.42Å; S236-A240 PolarHBondContact O-N 3.34Å; S236-A240 VanDerWaalsContact O-N 3.12Å; H237-A240 WeakPolarHBondContact O-CB 3.42Å; H237-A240 PolarHBondContact O-N 2.81Å; L238-A240 VanDerWaalsContact C-N 3.28Å; L238-A240 PolarHBondContact O-N 3.35Å; A240-M242 VanDerWaalsContact C-N 3.34Å; A240-M242 PolarHBondContact O-N 3.15Å; A240-K243 PolarHBondContact O-N 2.96Å |
| 241 | I | 98.4 | Very high | 97.4 | Very high | 29 Ų | 29 | 31.7 Ų | 31.7 | 15% | 0.149 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.8 | -42.9 | 175.5 | -66.1 | 167.2 | 0 | 0 | 0 | 110.9 | A213 P218 H237 L238 K243 | A213-I241 VanDerWaalsContact C-CD1 3.49Å; A213-I241 HydrophobicContact CB-CD1 4.17Å; A213-I241 WeakPolarHBondContact O-CD1 3.47Å; P218-I241 HydrophobicContact CG-CG2 4.43Å; H237-I241 WeakPolarHBondContact O-CG1 3.49Å; H237-I241 PolarHBondContact O-N 2.97Å; L238-I241 PolarHBondContact O-N 3.37Å; I241-K243 PolarHBondContact O-N 3.08Å |
| 242 | M | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -2 | 176.9 | -64.7 | 170.4 | 66.8 | 0 | 0 | 113.4 | P218 P220 S222 V224 L238 A239 A240 N244 R245 | P218-M242 HydrophobicContact CB-CG 4.1Å; P218-M242 HydrophobicContact CB-SD 4.43Å; P218-M242 HydrophobicContact CG-CG 3.7Å; P218-M242 HydrophobicContact CG-SD 4.09Å; P220-M242 WeakPolarHBondContact CA-O 3.33Å; P220-M242 WeakPolarHBondContact CB-O 3.42Å; S222-M242 WeakPolarHBondContact O-CE 3.46Å; V224-M242 HydrophobicContact CB-SD 4.13Å; V224-M242 HydrophobicContact CG2-CE 3.74Å; V224-M242 HydrophobicContact CG2-SD 3.46Å; V224-M242 WeakPolarHBondContact CG2-SD 3.19Å; L238-M242 WeakPolarHBondContact O-CB 3.34Å; L238-M242 VanDerWaalsContact O-CG 3.24Å; L238-M242 WeakPolarHBondContact O-CG 3.45Å; L238-M242 PolarHBondContact O-N 3.33Å; A239-M242 CarbonylContact O-C 3.55Å; A239-M242 PolarHBondContact O-N 2.99Å; A240-M242 VanDerWaalsContact C-N 3.34Å; A240-M242 PolarHBondContact O-N 3.15Å; M242-N244 PolarHBondContact O-N 2.92Å; M242-R245 WeakPolarHBondContact CE-O 3.33Å; M242-R245 PolarHBondContact O-N 2.92Å |
| 243 | K | 98.1 | Very high | 97.6 | Very high | 146 Ų | 146 | 35.5 Ų | 35.5 | 64% | 0.635 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 38.9 | -177.1 | -55.9 | -178.4 | -179.2 | -178.8 | 0 | 112.8 | P220 A239 A240 I241 R245 | P220-K243 HydrophobicContact CG-CB 4.48Å; P220-K243 HydrophobicContact CG-CD 4.18Å; P220-K243 HydrophobicContact CG-CG 4.21Å; A239-K243 PolarHBondContact O-N 3.17Å; A239-K243 VanDerWaalsContact O-N 3.08Å; A240-K243 PolarHBondContact O-N 2.96Å; I241-K243 PolarHBondContact O-N 3.08Å; K243-R245 PolarHBondContact O-N 3.2Å |
| 244 | N | 98.1 | Very high | 97.3 | Very high | 40 Ų | 40 | 36.8 Ų | 36.8 | 21% | 0.214 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 24.1 | -175.2 | -90.7 | -27.3 | 0 | 0 | 0 | 114.9 | L138 A239 M242 G269 V270 S271 C272 | L138-N244 HydrophobicContact CD2-CB 4.18Å; A239-N244 PolarHBondContact O-N 2.83Å; M242-N244 PolarHBondContact O-N 2.92Å; N244-G269 PolarHBondContact ND2-O 3.39Å; N244-V270 WeakPolarHBondContact OD1-CA 3.36Å; N244-S271 VanDerWaalsContact CG-OG 3.27Å; N244-S271 PolarHBondContact ND2-OG 3.43Å; N244-S271 PolarHBondContact OD1-N 3.33Å; N244-C272 WeakPolarHBondContact O-CB 3.45Å |
| 245 | R | 97.9 | Very high | 96.9 | Very high | 172 Ų | 172 | 37.7 Ų | 37.7 | 65% | 0.649 | 19% | 0.189 | S | C | * | . | trans | -113 | 137.2 | 177.7 | -64.1 | 180 | -176.8 | -172.3 | -0.6 | 110.9 | P220 G221 M242 K243 | P220-R245 HydrophobicContact CB-CB 4.23Å; G221-R245 PolarHBondContact N-O 3.49Å; M242-R245 WeakPolarHBondContact CE-O 3.33Å; M242-R245 PolarHBondContact O-N 2.92Å; K243-R245 PolarHBondContact O-N 3.2Å | ||
| 246 | G | 97 | Very high | 96.4 | Very high | 32 Ų | 32 | 45.6 Ų | 45.6 | 33% | 0.33 | 22% | 0.223 | S | C | . | . | S | Bend | trans | 103.6 | -152.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | G221 S222 | G221-G246 WeakPolarHBondContact O-CA 3.19Å; S222-G246 WeakPolarHBondContact O-CA 3.34Å |
| 247 | R | 97.8 | Very high | 95.9 | Very high | 114 Ų | 114 | 50 Ų | 50 | 43% | 0.43 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 131.5 | 178.8 | -63.3 | -172.1 | -177.9 | -169.8 | -0.8 | 110.9 | S222 H223 V224 F249 | S222-R247 PolarHBondContact O-N 3.21Å; S222-R247 VanDerWaalsContact O-N 3.15Å; H223-R247 CarbonylContact C-O 3.58Å; H223-R247 WeakPolarHBondContact CA-O 3.18Å; V224-R247 PolarHBondContact N-O 3.28Å; R247-F249 HydrophobicContact CB-CE2 4.03Å; R247-F249 HydrophobicContact CB-CZ 3.96Å |
| 248 | L | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 102.8 | 177.4 | -179.3 | 61.8 | 0 | 0 | 0 | 109.3 | V224 T235 L238 A239 C272 H273 Q274 | V224-L248 HydrophobicContact CB-CD1 3.77Å; V224-L248 HydrophobicContact CG1-CD1 3.84Å; V224-L248 CarbonylContact O-C 3.56Å; V224-L248 WeakPolarHBondContact O-CA 3.45Å; T235-L248 HydrophobicContact CG2-CD2 3.42Å; T235-L248 VanDerWaalsContact CG2-CD2 3.42Å; T235-L248 HydrophobicContact CG2-CG 3.93Å; T235-L248 WeakPolarHBondContact O-CD2 3.47Å; L238-L248 HydrophobicContact CB-CD1 4.21Å; L238-L248 HydrophobicContact CB-CD2 4.18Å; L238-L248 HydrophobicContact CD1-CD1 3.92Å; A239-L248 HydrophobicContact CB-CD2 4.12Å; L248-C272 WeakPolarHBondContact CB-O 3.3Å; L248-C272 PolarHBondContact N-O 2.92Å; L248-H273 HydrophobicContact CB-CB 4.5Å; L248-H273 CarbonylContact O-C 3.6Å; L248-H273 VanDerWaalsContact O-CA 3.24Å; L248-H273 WeakPolarHBondContact O-CA 3.46Å; L248-Q274 PolarHBondContact O-N 3.47Å |
| 249 | F | 98.3 | Very high | 95.2 | Very high | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.009 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 124 | 177 | -50.8 | -80.4 | 0 | 0 | 0 | 109 | H223 V224 I225 D226 R247 F251 Q274 Q289 Y290 V293 | H223-F249 HydrophobicContact CB-CE2 4.33Å; V224-F249 PolarHBondContact O-N 3.49Å; I225-F249 CarbonylContact C-O 3.57Å; I225-F249 WeakPolarHBondContact CA-O 3.14Å; I225-F249 HydrophobicContact CG1-CB 4.15Å; I225-F249 HydrophobicContact CG1-CD2 4.15Å; D226-F249 PolarHBondContact N-O 2.95Å; R247-F249 HydrophobicContact CB-CE2 4.03Å; R247-F249 HydrophobicContact CB-CZ 3.96Å; F249-F251 HydrophobicContact CB-CE2 3.85Å; F249-F251 HydrophobicContact CB-CZ 4.11Å; F249-Q274 HydrophobicContact CD1-CB 4.13Å; F249-Q274 HydrophobicContact CD1-CG 4.45Å; F249-Q274 VanDerWaalsContact CE1-OE1 3.3Å; F249-Q289 HydrophobicContact CE1-CG 3.77Å; F249-Q289 HydrophobicContact CZ-CG 4.13Å; F249-Q289 WeakPolarHBondContact CZ-O 3.18Å; F249-Y290 HydrophobicContact CB-CE1 4.38Å; F249-Y290 HydrophobicContact CD1-CD1 4.16Å; F249-Y290 AromaticContact CD1-CE1 3.8Å; F249-Y290 HydrophobicContact CD1-CE1 3.8Å; F249-Y290 HydrophobicContact CD2-CD1 4.01Å; F249-Y290 HydrophobicContact CD2-CE1 4.39Å; F249-Y290 HydrophobicContact CE1-CD1 4.25Å; F249-Y290 HydrophobicContact CE1-CE1 4.12Å; F249-Y290 HydrophobicContact CE2-CD1 4.09Å; F249-Y290 HydrophobicContact CG-CD1 4.03Å; F249-Y290 AromaticContact CG-CE1 3.94Å; F249-Y290 HydrophobicContact CG-CE1 3.94Å; F249-Y290 HydrophobicContact CZ-CD1 4.2Å; F249-V293 HydrophobicContact CD2-CG2 4.01Å; F249-V293 HydrophobicContact CE2-CG2 3.88Å |
| 250 | A | 97.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 120.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | D226 A229 T235 M261 Q274 L275 A276 | D226-A250 HydrophobicContact CB-CB 4.49Å; D226-A250 WeakPolarHBondContact O-CA 3.45Å; A229-A250 HydrophobicContact CB-CB 3.66Å; T235-A250 HydrophobicContact CG2-CB 4.04Å; A250-M261 HydrophobicContact CB-CE 3.52Å; A250-Q274 PolarHBondContact N-O 2.95Å; A250-L275 HydrophobicContact CB-CD2 3.83Å; A250-A276 PolarHBondContact O-N 3.46Å |
| 251 | F | 97.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 57.4 Ų | 57.4 | 0% | 0.004 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 139.4 | -178.1 | -56.2 | -83.9 | 0 | 0 | 0 | 110.6 | I225 D226 A227 C228 A229 F249 A276 R278 F280 V283 Y290 | I225-F251 HydrophobicContact CD1-CE2 4.42Å; I225-F251 HydrophobicContact CG1-CE2 4.33Å; I225-F251 HydrophobicContact CG2-CD2 3.85Å; I225-F251 HydrophobicContact CG2-CE2 3.81Å; D226-F251 PolarHBondContact O-N 3.05Å; A227-F251 CarbonylContact C-O 3.53Å; C228-F251 CarbonylContact C-O 3.59Å; C228-F251 WeakPolarHBondContact CA-O 3.31Å; A229-F251 PolarHBondContact N-O 3.07Å; F249-F251 HydrophobicContact CB-CE2 3.85Å; F249-F251 HydrophobicContact CB-CZ 4.11Å; F251-A276 WeakPolarHBondContact CA-O 3.36Å; F251-A276 HydrophobicContact CD1-CB 3.59Å; F251-A276 HydrophobicContact CE1-CB 3.73Å; F251-R278 HydrophobicContact CD1-CB 4.47Å; F251-F280 HydrophobicContact CB-CB 4.45Å; F251-F280 AromaticContact CD2-CD2 3.99Å; F251-F280 HydrophobicContact CD2-CD2 3.99Å; F251-F280 HydrophobicContact CE2-CD2 4.49Å; F251-F280 HydrophobicContact CG-CD2 4.41Å; F251-V283 HydrophobicContact CD1-CG2 3.84Å; F251-V283 HydrophobicContact CE1-CG2 3.6Å; F251-V283 HydrophobicContact CE2-CG2 4.4Å; F251-V283 HydrophobicContact CG-CG2 4.36Å; F251-V283 HydrophobicContact CZ-CG1 4.15Å; F251-V283 HydrophobicContact CZ-CG2 3.9Å; F251-Y290 AromaticContact CZ-CE1 3.82Å; F251-Y290 HydrophobicContact CZ-CE1 3.82Å; F251-Y290 AromaticContact CZ-CZ 3.85Å |
| 252 | D | 95.1 | Very high | 94.7 | Very high | 12 Ų | 12 | 58.7 Ų | 58.7 | 6% | 0.064 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 155.1 | 164.8 | -156.9 | -72.4 | 0 | 0 | 0 | 108.4 | A230 D254 R257 L258 A276 N277 R278 | A230-D252 HydrophobicContact CB-CB 3.77Å; A230-D252 VanDerWaalsContact CB-CG 3.46Å; A230-D252 WeakPolarHBondContact CB-OD2 3.27Å; A230-D252 PolarHBondContact N-OD2 2.83Å; D252-D254 PolarHBondContact OD1-N 2.96Å; D252-R257 IonicContact OD1-NH1 2.82Å; D252-R257 IonicContact OD2-CZ 3.8Å; D252-R257 IonicContact OD2-NH1 3.19Å; D252-L258 HydrophobicContact CB-CD1 4.29Å; D252-L258 HydrophobicContact CB-CD2 3.79Å; D252-L258 HydrophobicContact CB-CG 3.88Å; D252-L258 WeakPolarHBondContact O-CD1 3.33Å; D252-A276 PolarHBondContact N-O 3.4Å; D252-N277 CarbonylContact O-C 3.45Å; D252-N277 WeakPolarHBondContact O-CA 3.22Å; D252-N277 PolarHBondContact O-OD1 3.09Å; D252-R278 PolarHBondContact O-N 3.23Å; D252-R278 VanDerWaalsContact O-N 3.11Å |
| 253 | L | 91.8 | Very high | 94.5 | Very high | 122 Ų | 122 | 63 Ų | 63 | 64% | 0.639 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -91.5 | -22.8 | -178.8 | -168 | 65.7 | 0 | 0 | 0 | 112.2 | G255 N277 D279 | L253-G255 PolarHBondContact O-N 3.29Å; L253-N277 PolarHBondContact O-OD1 2.95Å; L253-N277 VanDerWaalsContact O-OD1 3.06Å; L253-D279 HydrophobicContact CD1-CB 4.1Å |
| 254 | D | 89.8 | Confident | 94.4 | Very high | 67 Ų | 67 | 56.8 Ų | 56.8 | 36% | 0.358 | 30% | 0.299 | S | S | . | . | trans | -90.5 | 106.9 | -176 | -175.9 | -25.6 | 0 | 0 | 0 | 111 | D252 K256 R257 L258 | D252-D254 PolarHBondContact OD1-N 2.96Å; D254-K256 VanDerWaalsContact C-N 3.26Å; D254-K256 PolarHBondContact O-N 2.95Å; D254-K256 WeakPolarHBondContact OD1-CA 3.26Å; D254-K256 VanDerWaalsContact OD1-CB 3.31Å; D254-K256 WeakPolarHBondContact OD1-CB 3.44Å; D254-K256 PolarHBondContact OD1-N 3.38Å; D254-R257 HydrophobicContact CB-CB 4Å; D254-R257 HydrophobicContact CB-CG 4Å; D254-R257 PolarHBondContact O-N 2.97Å; D254-R257 VanDerWaalsContact O-N 3.15Å; D254-R257 PolarHBondContact OD1-N 3.46Å; D254-R257 VanDerWaalsContact OD1-N 3.14Å; D254-R257 WeakPolarHBondContact OD2-CD 3.45Å; D254-R257 WeakPolarHBondContact OD2-CG 3.27Å; D254-L258 PolarHBondContact O-N 2.93Å | ||
| 255 | G | 90.7 | Very high | 94.4 | Very high | 37 Ų | 37 | 54.9 Ų | 54.9 | 38% | 0.381 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.7 | -30.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L253 S259 | L253-G255 PolarHBondContact O-N 3.29Å; G255-S259 PolarHBondContact O-N 3.44Å |
| 256 | K | 87.4 | Confident | 94.4 | Very high | 166 Ų | 166 | 53.4 Ų | 53.4 | 72% | 0.722 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -72.6 | -42.4 | 176.4 | -64.4 | -179 | 179.6 | 178.4 | 0 | 110.9 | D254 L258 S259 T260 | D254-K256 VanDerWaalsContact C-N 3.26Å; D254-K256 PolarHBondContact O-N 2.95Å; D254-K256 WeakPolarHBondContact OD1-CA 3.26Å; D254-K256 VanDerWaalsContact OD1-CB 3.31Å; D254-K256 WeakPolarHBondContact OD1-CB 3.44Å; D254-K256 PolarHBondContact OD1-N 3.38Å; K256-L258 VanDerWaalsContact C-N 3.32Å; K256-S259 PolarHBondContact O-N 3.32Å; K256-T260 PolarHBondContact O-N 2.97Å; K256-T260 VanDerWaalsContact O-N 3.13Å; K256-T260 PolarHBondContact O-OG1 3.3Å |
| 257 | R | 86.8 | Confident | 94.4 | Very high | 94 Ų | 94 | 54.9 Ų | 54.9 | 36% | 0.355 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.6 | -37.4 | 174.9 | -67.4 | 176.3 | 66.9 | -158.9 | 9.1 | 111 | A230 D252 D254 T260 M261 | A230-R257 HydrophobicContact CB-CB 3.52Å; A230-R257 PolarHBondContact O-NH2 3.44Å; D252-R257 IonicContact OD1-NH1 2.82Å; D252-R257 IonicContact OD2-CZ 3.8Å; D252-R257 IonicContact OD2-NH1 3.19Å; D254-R257 HydrophobicContact CB-CB 4Å; D254-R257 HydrophobicContact CB-CG 4Å; D254-R257 PolarHBondContact O-N 2.97Å; D254-R257 VanDerWaalsContact O-N 3.15Å; D254-R257 PolarHBondContact OD1-N 3.46Å; D254-R257 VanDerWaalsContact OD1-N 3.14Å; D254-R257 WeakPolarHBondContact OD2-CD 3.45Å; D254-R257 WeakPolarHBondContact OD2-CG 3.27Å; R257-T260 WeakPolarHBondContact O-CB 3.34Å; R257-T260 PolarHBondContact O-N 3.39Å; R257-M261 WeakPolarHBondContact O-CB 3.3Å; R257-M261 PolarHBondContact O-N 3.27Å |
| 258 | L | 92.3 | Very high | 94.3 | Very high | 15 Ų | 15 | 49.6 Ų | 49.6 | 8% | 0.079 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.3 | -38.3 | 173.1 | -78.6 | 172.1 | 0 | 0 | 0 | 113.4 | A230 D252 D254 K256 T260 M261 S262 N277 | A230-L258 HydrophobicContact CB-CD2 4.45Å; D252-L258 HydrophobicContact CB-CD1 4.29Å; D252-L258 HydrophobicContact CB-CD2 3.79Å; D252-L258 HydrophobicContact CB-CG 3.88Å; D252-L258 WeakPolarHBondContact O-CD1 3.33Å; D254-L258 PolarHBondContact O-N 2.93Å; K256-L258 VanDerWaalsContact C-N 3.32Å; L258-T260 VanDerWaalsContact C-N 3.32Å; L258-T260 PolarHBondContact O-N 3.16Å; L258-M261 HydrophobicContact CD2-SD 4.03Å; L258-M261 WeakPolarHBondContact O-CB 3.42Å; L258-M261 PolarHBondContact O-N 3.39Å; L258-S262 WeakPolarHBondContact O-CB 3.41Å; L258-S262 PolarHBondContact O-N 2.88Å; L258-N277 VanDerWaalsContact CD1-CA 3.42Å; L258-N277 HydrophobicContact CD1-CB 3.4Å |
| 259 | S | 91.7 | Very high | 94.3 | Very high | 76 Ų | 76 | 51.2 Ų | 51.2 | 53% | 0.531 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.1 | -41.2 | 173 | -178.3 | 0 | 0 | 0 | 0 | 111.9 | G255 K256 M261 S262 T263 | G255-S259 PolarHBondContact O-N 3.44Å; K256-S259 PolarHBondContact O-N 3.32Å; S259-M261 VanDerWaalsContact C-N 3.35Å; S259-S262 PolarHBondContact O-N 3.02Å; S259-T263 PolarHBondContact O-N 3.27Å; S259-T263 VanDerWaalsContact O-N 3.09Å; S259-T263 PolarHBondContact O-OG1 3.27Å; S259-T263 VanDerWaalsContact O-OG1 3.07Å |
| 260 | T | 91 | Very high | 94.3 | Very high | 80 Ų | 80 | 51.6 Ų | 51.6 | 49% | 0.491 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.8 | -44.4 | 173.7 | -55.7 | 0 | 0 | 0 | 0 | 111.2 | P231 K256 R257 L258 T263 L264 | P231-T260 HydrophobicContact CB-CG2 4.17Å; K256-T260 PolarHBondContact O-N 2.97Å; K256-T260 VanDerWaalsContact O-N 3.13Å; K256-T260 PolarHBondContact O-OG1 3.3Å; R257-T260 WeakPolarHBondContact O-CB 3.34Å; R257-T260 PolarHBondContact O-N 3.39Å; L258-T260 VanDerWaalsContact C-N 3.32Å; L258-T260 PolarHBondContact O-N 3.16Å; T260-T263 PolarHBondContact O-N 3.34Å; T260-L264 PolarHBondContact O-N 3.37Å |
| 261 | M | 95.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.5 | -47.2 | 175.6 | 173.5 | 172 | -171.9 | 0 | 0 | 112.2 | A229 A230 P231 T235 A250 R257 L258 S259 T263 L264 L265 L275 | A229-M261 HydrophobicContact CB-CE 3.68Å; A229-M261 HydrophobicContact CB-SD 3.97Å; A230-M261 HydrophobicContact CB-CB 4.29Å; A230-M261 HydrophobicContact CB-SD 4.16Å; P231-M261 VanDerWaalsContact O-CA 3.29Å; P231-M261 WeakPolarHBondContact O-CA 3.18Å; T235-M261 HydrophobicContact CG2-CE 3.47Å; T235-M261 VanDerWaalsContact CG2-CE 3.47Å; T235-M261 WeakPolarHBondContact OG1-CE 3.28Å; A250-M261 HydrophobicContact CB-CE 3.52Å; R257-M261 WeakPolarHBondContact O-CB 3.3Å; R257-M261 PolarHBondContact O-N 3.27Å; L258-M261 HydrophobicContact CD2-SD 4.03Å; L258-M261 WeakPolarHBondContact O-CB 3.42Å; L258-M261 PolarHBondContact O-N 3.39Å; S259-M261 VanDerWaalsContact C-N 3.35Å; M261-T263 VanDerWaalsContact C-N 3.28Å; M261-T263 PolarHBondContact O-N 3.16Å; M261-L264 PolarHBondContact O-N 3.27Å; M261-L264 VanDerWaalsContact O-N 3.09Å; M261-L265 HydrophobicContact CE-CD1 3.75Å; M261-L265 HydrophobicContact CG-CD1 3.92Å; M261-L265 HydrophobicContact CG-CG 4.12Å; M261-L265 WeakPolarHBondContact O-CB 3.44Å; M261-L265 VanDerWaalsContact O-CG 3.31Å; M261-L265 WeakPolarHBondContact O-CG 3.46Å; M261-L265 PolarHBondContact O-N 3.42Å; M261-L275 HydrophobicContact CE-CD2 3.57Å; M261-L275 HydrophobicContact CG-CD2 4.32Å; M261-L275 HydrophobicContact SD-CD2 3.98Å |
| 262 | S | 96.3 | Very high | 94.2 | Very high | 56 Ų | 56 | 56.4 Ų | 56.4 | 39% | 0.392 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -56.7 | -43.9 | 177.2 | -177.7 | 0 | 0 | 0 | 0 | 111.5 | L258 S259 L264 L265 L266 | L258-S262 WeakPolarHBondContact O-CB 3.41Å; L258-S262 PolarHBondContact O-N 2.88Å; S259-S262 PolarHBondContact O-N 3.02Å; S262-L264 PolarHBondContact O-N 3.19Å; S262-L265 PolarHBondContact O-N 2.84Å; S262-L266 VanDerWaalsContact O-CB 3.3Å; S262-L266 WeakPolarHBondContact O-CB 3.4Å; S262-L266 PolarHBondContact O-N 2.87Å |
| 263 | T | 95 | Very high | 94.2 | Very high | 90 Ų | 90 | 58.2 Ų | 58.2 | 55% | 0.552 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -62.2 | -43.8 | 175.6 | -56.2 | 0 | 0 | 0 | 0 | 111.9 | S259 T260 M261 R267 | S259-T263 PolarHBondContact O-N 3.27Å; S259-T263 VanDerWaalsContact O-N 3.09Å; S259-T263 PolarHBondContact O-OG1 3.27Å; S259-T263 VanDerWaalsContact O-OG1 3.07Å; T260-T263 PolarHBondContact O-N 3.34Å; M261-T263 VanDerWaalsContact C-N 3.28Å; M261-T263 PolarHBondContact O-N 3.16Å; T263-R267 WeakPolarHBondContact O-CB 3.26Å; T263-R267 PolarHBondContact O-N 3.27Å |
| 264 | L | 95.9 | Very high | 94.4 | Very high | 17 Ų | 17 | 56 Ų | 56 | 9% | 0.089 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.1 | -48 | 178.5 | -179.6 | 149.4 | 0 | 0 | 0 | 111.8 | G232 N233 T260 M261 S262 R267 A268 | G232-L264 WeakPolarHBondContact O-CD2 3.49Å; N233-L264 VanDerWaalsContact OD1-CD1 3.24Å; N233-L264 WeakPolarHBondContact OD1-CD1 3.36Å; T260-L264 PolarHBondContact O-N 3.37Å; M261-L264 PolarHBondContact O-N 3.27Å; M261-L264 VanDerWaalsContact O-N 3.09Å; S262-L264 PolarHBondContact O-N 3.19Å; L264-R267 PolarHBondContact O-N 3.2Å; L264-A268 VanDerWaalsContact O-CB 3.24Å; L264-A268 WeakPolarHBondContact O-CB 3.23Å; L264-A268 PolarHBondContact O-N 3.42Å |
| 265 | L | 97.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.3 | -42.6 | -178.8 | -67.9 | -176 | 0 | 0 | 0 | 111.6 | T235 M261 S262 A268 G269 V270 H273 L275 | T235-L265 HydrophobicContact CG2-CD2 4.43Å; M261-L265 HydrophobicContact CE-CD1 3.75Å; M261-L265 HydrophobicContact CG-CD1 3.92Å; M261-L265 HydrophobicContact CG-CG 4.12Å; M261-L265 WeakPolarHBondContact O-CB 3.44Å; M261-L265 VanDerWaalsContact O-CG 3.31Å; M261-L265 WeakPolarHBondContact O-CG 3.46Å; M261-L265 PolarHBondContact O-N 3.42Å; S262-L265 PolarHBondContact O-N 2.84Å; L265-A268 CarbonylContact O-C 3.6Å; L265-A268 PolarHBondContact O-N 2.82Å; L265-G269 PolarHBondContact O-N 3.35Å; L265-V270 HydrophobicContact CB-CB 4.14Å; L265-V270 HydrophobicContact CD2-CB 4.05Å; L265-V270 HydrophobicContact CD2-CG1 4.17Å; L265-V270 HydrophobicContact CD2-CG2 3.9Å; L265-V270 PolarHBondContact O-N 2.83Å; L265-H273 HydrophobicContact CD1-CB 4.37Å; L265-H273 VanDerWaalsContact CD1-CD2 3.48Å; L265-H273 WeakPolarHBondContact CD1-CD2 3.03Å; L265-L275 HydrophobicContact CD1-CD2 3.81Å |
| 266 | L | 97.5 | Very high | 94.9 | Very high | 140 Ų | 140 | 55.4 Ų | 55.4 | 73% | 0.733 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -60 | -48.4 | 175 | -179.8 | 63.6 | 0 | 0 | 0 | 111.1 | S262 A268 G269 | S262-L266 VanDerWaalsContact O-CB 3.3Å; S262-L266 WeakPolarHBondContact O-CB 3.4Å; S262-L266 PolarHBondContact O-N 2.87Å; L266-A268 VanDerWaalsContact C-N 3.33Å; L266-A268 PolarHBondContact O-N 2.71Å; L266-G269 PolarHBondContact O-N 2.93Å; L266-G269 VanDerWaalsContact O-N 3.13Å |
| 267 | R | 97.1 | Very high | 95.3 | Very high | 64 Ų | 64 | 52.3 Ų | 52.3 | 24% | 0.242 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.3 | -40.9 | 178.2 | -178.5 | 177.5 | 64.1 | 174 | -1.6 | 112.2 | K139 Y197 K198 T263 L264 G269 | K139-R267 PolarHBondContact NZ-O 3.5Å; Y197-R267 VanDerWaalsContact CZ-NH1 3.26Å; Y197-R267 VanDerWaalsContact CZ-NH2 3.32Å; Y197-R267 WeakPolarHBondContact O-CD 3.33Å; Y197-R267 PolarHBondContact O-NH1 3.42Å; Y197-R267 PolarHBondContact OH-NH2 2.6Å; K198-R267 WeakPolarHBondContact O-CD 3.34Å; T263-R267 WeakPolarHBondContact O-CB 3.26Å; T263-R267 PolarHBondContact O-N 3.27Å; L264-R267 PolarHBondContact O-N 3.2Å; R267-G269 PolarHBondContact O-N 2.79Å |
| 268 | A | 97.2 | Very high | 95.7 | Very high | 2 Ų | 2 | 52.9 Ų | 52.9 | 2% | 0.017 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -72.2 | -9.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | N136 I203 L264 L265 L266 V270 | N136-A268 PolarHBondContact ND2-O 3Å; I203-A268 HydrophobicContact CD1-CB 4.1Å; L264-A268 VanDerWaalsContact O-CB 3.24Å; L264-A268 WeakPolarHBondContact O-CB 3.23Å; L264-A268 PolarHBondContact O-N 3.42Å; L265-A268 CarbonylContact O-C 3.6Å; L265-A268 PolarHBondContact O-N 2.82Å; L266-A268 VanDerWaalsContact C-N 3.33Å; L266-A268 PolarHBondContact O-N 2.71Å; A268-V270 HydrophobicContact CB-CG2 4.1Å |
| 269 | G | 97.7 | Very high | 95.8 | Very high | 34 Ų | 34 | 54.8 Ų | 54.8 | 35% | 0.351 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.5 | 28.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | N244 L265 L266 R267 | N244-G269 PolarHBondContact ND2-O 3.39Å; L265-G269 PolarHBondContact O-N 3.35Å; L266-G269 PolarHBondContact O-N 2.93Å; L266-G269 VanDerWaalsContact O-N 3.13Å; R267-G269 PolarHBondContact O-N 2.79Å |
| 270 | V | 98.3 | Very high | 96.1 | Very high | 10 Ų | 10 | 51.5 Ų | 51.5 | 6% | 0.061 | 29% | 0.288 | C | S | . | . | trans | -79.7 | 123.8 | 179.2 | 176.7 | 0 | 0 | 0 | 0 | 110.1 | L138 A239 N244 L265 A268 H273 | L138-V270 HydrophobicContact CD1-CG2 3.84Å; A239-V270 HydrophobicContact CB-CB 4.18Å; A239-V270 HydrophobicContact CB-CG1 3.41Å; A239-V270 VanDerWaalsContact CB-CG1 3.41Å; A239-V270 HydrophobicContact CB-CG2 3.76Å; N244-V270 WeakPolarHBondContact OD1-CA 3.36Å; L265-V270 HydrophobicContact CB-CB 4.14Å; L265-V270 HydrophobicContact CD2-CB 4.05Å; L265-V270 HydrophobicContact CD2-CG1 4.17Å; L265-V270 HydrophobicContact CD2-CG2 3.9Å; L265-V270 PolarHBondContact O-N 2.83Å; A268-V270 HydrophobicContact CB-CG2 4.1Å; V270-H273 HydrophobicContact CG1-CB 4.03Å; V270-H273 PolarHBondContact O-CE1 3.36Å; V270-H273 PolarHBondContact O-ND1 3.02Å; V270-H273 VanDerWaalsContact O-ND1 3.15Å | ||
| 271 | S | 96.9 | Very high | 96.4 | Very high | 88 Ų | 88 | 49.5 Ų | 49.5 | 62% | 0.615 | 27% | 0.274 | S | S | * | . | trans | -118 | -19.5 | -175.5 | 62 | 0 | 0 | 0 | 0 | 114.6 | N244 H273 | N244-S271 VanDerWaalsContact CG-OG 3.27Å; N244-S271 PolarHBondContact ND2-OG 3.43Å; N244-S271 PolarHBondContact OD1-N 3.33Å; S271-H273 VanDerWaalsContact C-N 3.29Å; S271-H273 PolarHBondContact O-N 3.37Å | ||
| 272 | C | 95.8 | Very high | 96.4 | Very high | 14 Ų | 14 | 52.9 Ų | 52.9 | 10% | 0.095 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -89.3 | 20.9 | -174.9 | 66.9 | 0 | 0 | 0 | 0 | 114.5 | N244 L248 | N244-C272 WeakPolarHBondContact O-CB 3.45Å; L248-C272 WeakPolarHBondContact CB-O 3.3Å; L248-C272 PolarHBondContact N-O 2.92Å |
| 273 | H | 95.4 | Very high | 96.4 | Very high | 51 Ų | 51 | 50.3 Ų | 50.3 | 24% | 0.236 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 151.7 | -169.4 | 74.4 | -81.6 | 0 | 0 | 0 | 113.3 | L248 L265 V270 S271 | L248-H273 HydrophobicContact CB-CB 4.5Å; L248-H273 CarbonylContact O-C 3.6Å; L248-H273 VanDerWaalsContact O-CA 3.24Å; L248-H273 WeakPolarHBondContact O-CA 3.46Å; L265-H273 HydrophobicContact CD1-CB 4.37Å; L265-H273 VanDerWaalsContact CD1-CD2 3.48Å; L265-H273 WeakPolarHBondContact CD1-CD2 3.03Å; V270-H273 HydrophobicContact CG1-CB 4.03Å; V270-H273 PolarHBondContact O-CE1 3.36Å; V270-H273 PolarHBondContact O-ND1 3.02Å; V270-H273 VanDerWaalsContact O-ND1 3.15Å; S271-H273 VanDerWaalsContact C-N 3.29Å; S271-H273 PolarHBondContact O-N 3.37Å |
| 274 | Q | 96.8 | Very high | 96.5 | Very high | 76 Ų | 76 | 49.9 Ų | 49.9 | 36% | 0.355 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 113.3 | 170.5 | -62.8 | -177 | 20.9 | 0 | 0 | 108.4 | L248 F249 A250 Q289 | L248-Q274 PolarHBondContact O-N 3.47Å; F249-Q274 HydrophobicContact CD1-CB 4.13Å; F249-Q274 HydrophobicContact CD1-CG 4.45Å; F249-Q274 VanDerWaalsContact CE1-OE1 3.3Å; A250-Q274 PolarHBondContact N-O 2.95Å; Q274-Q289 VanDerWaalsContact OE1-NE2 3.11Å |
| 275 | L | 96 | Very high | 96.5 | Very high | 63 Ų | 63 | 49.2 Ų | 49.2 | 33% | 0.33 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 134.1 | 178.7 | -55.6 | -174.5 | 0 | 0 | 0 | 110.4 | A250 M261 L265 | A250-L275 HydrophobicContact CB-CD2 3.83Å; M261-L275 HydrophobicContact CE-CD2 3.57Å; M261-L275 HydrophobicContact CG-CD2 4.32Å; M261-L275 HydrophobicContact SD-CD2 3.98Å; L265-L275 HydrophobicContact CD1-CD2 3.81Å |
| 276 | A | 94.6 | Very high | 96.4 | Very high | 28 Ų | 28 | 54.5 Ų | 54.5 | 23% | 0.231 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 124.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | A250 F251 D252 R278 | A250-A276 PolarHBondContact O-N 3.46Å; F251-A276 WeakPolarHBondContact CA-O 3.36Å; F251-A276 HydrophobicContact CD1-CB 3.59Å; F251-A276 HydrophobicContact CE1-CB 3.73Å; D252-A276 PolarHBondContact N-O 3.4Å; A276-R278 HydrophobicContact CB-CB 4.49Å; A276-R278 PolarHBondContact O-N 2.88Å |
| 277 | N | 96.1 | Very high | 96.3 | Very high | 100 Ų | 100 | 50.3 Ų | 50.3 | 54% | 0.535 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 85.5 | 168.4 | -171.2 | -7.6 | 0 | 0 | 0 | 109.2 | D252 L253 L258 | D252-N277 CarbonylContact O-C 3.45Å; D252-N277 WeakPolarHBondContact O-CA 3.22Å; D252-N277 PolarHBondContact O-OD1 3.09Å; L253-N277 PolarHBondContact O-OD1 2.95Å; L253-N277 VanDerWaalsContact O-OD1 3.06Å; L258-N277 VanDerWaalsContact CD1-CA 3.42Å; L258-N277 HydrophobicContact CD1-CB 3.4Å |
| 278 | R | 94.6 | Very high | 96.2 | Very high | 106 Ų | 106 | 52 Ų | 52 | 40% | 0.4 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -154.6 | 145.7 | -172.1 | -171.9 | 174.1 | 178.8 | 171.1 | -0.2 | 109.6 | F251 D252 A276 F280 T282 | F251-R278 HydrophobicContact CD1-CB 4.47Å; D252-R278 PolarHBondContact O-N 3.23Å; D252-R278 VanDerWaalsContact O-N 3.11Å; A276-R278 HydrophobicContact CB-CB 4.49Å; A276-R278 PolarHBondContact O-N 2.88Å; R278-F280 PolarHBondContact O-N 3.05Å; R278-T282 WeakPolarHBondContact CG-OG1 3.45Å; R278-T282 PolarHBondContact NE-OG1 3.07Å; R278-T282 PolarHBondContact NH2-O 3.21Å |
| 279 | D | 95.7 | Very high | 96.2 | Very high | 56 Ų | 56 | 55.5 Ų | 55.5 | 30% | 0.299 | 31% | 0.31 | S | S | . | . | trans | -66.2 | 122 | 167.9 | -179.2 | -2.3 | 0 | 0 | 0 | 109.4 | L253 L281 T282 | L253-D279 HydrophobicContact CD1-CB 4.1Å; D279-L281 PolarHBondContact O-N 3.39Å; D279-L281 PolarHBondContact OD1-N 2.79Å; D279-T282 HydrophobicContact CB-CG2 3.95Å; D279-T282 WeakPolarHBondContact O-CB 3.44Å; D279-T282 PolarHBondContact O-N 3Å; D279-T282 PolarHBondContact O-OG1 3.21Å | ||
| 280 | F | 97 | Very high | 96.1 | Very high | 6 Ų | 6 | 54.4 Ų | 54.4 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -56.8 | -34 | 179.1 | 176.6 | -114.5 | 0 | 0 | 0 | 112.8 | I225 A227 F251 R278 T282 V283 H338 S339 F342 | I225-F280 HydrophobicContact CG2-CD2 4.48Å; I225-F280 HydrophobicContact CG2-CE2 3.88Å; A227-F280 HydrophobicContact CB-CD1 3.67Å; A227-F280 HydrophobicContact CB-CD2 3.82Å; A227-F280 HydrophobicContact CB-CE1 3.66Å; A227-F280 HydrophobicContact CB-CE2 3.84Å; A227-F280 HydrophobicContact CB-CG 3.73Å; A227-F280 HydrophobicContact CB-CZ 3.75Å; A227-F280 WeakPolarHBondContact O-CB 3.24Å; F251-F280 HydrophobicContact CB-CB 4.45Å; F251-F280 AromaticContact CD2-CD2 3.99Å; F251-F280 HydrophobicContact CD2-CD2 3.99Å; F251-F280 HydrophobicContact CE2-CD2 4.49Å; F251-F280 HydrophobicContact CG-CD2 4.41Å; R278-F280 PolarHBondContact O-N 3.05Å; F280-T282 PolarHBondContact O-N 3.5Å; F280-T282 VanDerWaalsContact O-N 3.12Å; F280-V283 HydrophobicContact CD2-CB 4.49Å; F280-V283 HydrophobicContact CD2-CG2 4.26Å; F280-V283 VanDerWaalsContact O-CB 3.31Å; F280-V283 WeakPolarHBondContact O-CB 3.37Å; F280-V283 WeakPolarHBondContact O-CG2 3.17Å; F280-V283 PolarHBondContact O-N 2.69Å; F280-H338 AromaticContact CE1-CD2 3.58Å; F280-H338 AromaticContact CZ-CD2 3.7Å; F280-H338 PolarHBondContact O-NE2 3.1Å; F280-S339 WeakPolarHBondContact CE1-OG 3.49Å; F280-S339 WeakPolarHBondContact CZ-OG 3.43Å; F280-F342 HydrophobicContact CE2-CE2 4.2Å; F280-F342 HydrophobicContact CE2-CZ 4.27Å; F280-F342 HydrophobicContact CZ-CE2 4.06Å |
| 281 | L | 97.1 | Very high | 96 | Very high | 38 Ų | 38 | 59.3 Ų | 59.3 | 20% | 0.199 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -65.3 | -16.5 | 178 | -66.3 | 178.4 | 0 | 0 | 0 | 113.6 | D279 F331 R334 C335 H338 | D279-L281 PolarHBondContact O-N 3.39Å; D279-L281 PolarHBondContact OD1-N 2.79Å; L281-F331 HydrophobicContact CD1-CD2 4.1Å; L281-F331 HydrophobicContact CD1-CE2 3.84Å; L281-F331 HydrophobicContact CG-CE2 4.48Å; L281-R334 HydrophobicContact CD1-CB 4.38Å; L281-R334 HydrophobicContact CD2-CB 4.22Å; L281-C335 HydrophobicContact CD2-CB 4.38Å; L281-H338 HydrophobicContact CD2-CB 3.86Å |
| 282 | T | 96.7 | Very high | 96 | Very high | 72 Ų | 72 | 57.4 Ų | 57.4 | 44% | 0.442 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -94.2 | -4.6 | 177.5 | 72.1 | 0 | 0 | 0 | 0 | 113.1 | R278 D279 F280 | R278-T282 WeakPolarHBondContact CG-OG1 3.45Å; R278-T282 PolarHBondContact NE-OG1 3.07Å; R278-T282 PolarHBondContact NH2-O 3.21Å; D279-T282 HydrophobicContact CB-CG2 3.95Å; D279-T282 WeakPolarHBondContact O-CB 3.44Å; D279-T282 PolarHBondContact O-N 3Å; D279-T282 PolarHBondContact O-OG1 3.21Å; F280-T282 PolarHBondContact O-N 3.5Å; F280-T282 VanDerWaalsContact O-N 3.12Å |
| 283 | V | 96.6 | Very high | 96.1 | Very high | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.012 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -72 | 129.4 | 176.3 | 178 | 0 | 0 | 0 | 0 | 107.6 | F251 F280 P285 Y290 H338 F342 | F251-V283 HydrophobicContact CD1-CG2 3.84Å; F251-V283 HydrophobicContact CE1-CG2 3.6Å; F251-V283 HydrophobicContact CE2-CG2 4.4Å; F251-V283 HydrophobicContact CG-CG2 4.36Å; F251-V283 HydrophobicContact CZ-CG1 4.15Å; F251-V283 HydrophobicContact CZ-CG2 3.9Å; F280-V283 HydrophobicContact CD2-CB 4.49Å; F280-V283 HydrophobicContact CD2-CG2 4.26Å; F280-V283 VanDerWaalsContact O-CB 3.31Å; F280-V283 WeakPolarHBondContact O-CB 3.37Å; F280-V283 WeakPolarHBondContact O-CG2 3.17Å; F280-V283 PolarHBondContact O-N 2.69Å; V283-P285 WeakPolarHBondContact O-CD 3.43Å; V283-Y290 HydrophobicContact CG1-CD2 3.74Å; V283-Y290 HydrophobicContact CG1-CE2 3.41Å; V283-Y290 VanDerWaalsContact CG1-CE2 3.41Å; V283-H338 PolarHBondContact O-CE1 2.93Å; V283-H338 PolarHBondContact O-NE2 3.06Å; V283-H338 VanDerWaalsContact O-NE2 3.07Å; V283-F342 HydrophobicContact CG1-CZ 4.16Å |
| 284 | D | 96.6 | Very high | 96.2 | Very high | 80 Ų | 80 | 56.4 Ų | 56.4 | 43% | 0.428 | 29% | 0.293 | S | S | . | . | trans | -83.5 | 118.4 | 178.2 | -173.3 | -2.8 | 0 | 0 | 0 | 109.6 | D286 D287 Y290 | D284-D286 PolarHBondContact O-N 3.38Å; D284-D286 PolarHBondContact OD1-N 3.15Å; D284-D287 HydrophobicContact CB-CB 4.32Å; D284-D287 WeakPolarHBondContact O-CB 3.42Å; D284-D287 PolarHBondContact O-N 3.45Å; D284-Y290 WeakPolarHBondContact O-CD2 3.26Å | ||
| 285 | P | 95.7 | Very high | 96.3 | Very high | 3 Ų | 3 | 53.6 Ų | 53.6 | 2% | 0.019 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -23.5 | 177.3 | -22.3 | 35 | 0 | 0 | 0 | 113.9 | V283 R341 F342 P343 | V283-P285 WeakPolarHBondContact O-CD 3.43Å; P285-R341 HydrophobicContact CB-CB 4.23Å; P285-R341 HydrophobicContact CG-CB 3.93Å; P285-F342 HydrophobicContact CB-CD1 4.23Å; P285-F342 HydrophobicContact CB-CD2 4.08Å; P285-F342 HydrophobicContact CB-CE1 4.31Å; P285-F342 HydrophobicContact CB-CE2 4.19Å; P285-F342 HydrophobicContact CB-CG 4.12Å; P285-F342 HydrophobicContact CB-CZ 4.31Å; P285-F342 HydrophobicContact CG-CD2 4.35Å; P285-F342 HydrophobicContact CG-CE2 4.14Å; P285-F342 HydrophobicContact CG-CZ 4.43Å; P285-P343 WeakPolarHBondContact O-CD 3.38Å |
| 286 | D | 95 | Very high | 96.4 | Very high | 112 Ų | 112 | 50.6 Ų | 50.6 | 60% | 0.599 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -1.5 | -178.6 | -64.3 | -51.6 | 0 | 0 | 0 | 113.1 | D284 | D284-D286 PolarHBondContact O-N 3.38Å; D284-D286 PolarHBondContact OD1-N 3.15Å |
| 287 | D | 96.1 | Very high | 96.6 | Very high | 51 Ų | 51 | 49.2 Ų | 49.2 | 27% | 0.273 | 25% | 0.252 | S | S | . | . | trans | -59 | 129.3 | 175.4 | -172.5 | -42.3 | 0 | 0 | 0 | 110.3 | D284 Q289 Y290 K291 | D284-D287 HydrophobicContact CB-CB 4.32Å; D284-D287 WeakPolarHBondContact O-CB 3.42Å; D284-D287 PolarHBondContact O-N 3.45Å; D287-Q289 PolarHBondContact O-N 2.55Å; D287-Q289 VanDerWaalsContact OD1-CB 3.27Å; D287-Q289 WeakPolarHBondContact OD1-CB 3.48Å; D287-Q289 PolarHBondContact OD1-N 3.31Å; D287-Y290 HydrophobicContact CB-CD2 3.68Å; D287-Y290 HydrophobicContact CB-CE2 3.9Å; D287-Y290 PolarHBondContact O-N 2.59Å; D287-K291 PolarHBondContact O-N 3.15Å | ||
| 288 | P | 95.4 | Very high | 96.7 | Very high | 99 Ų | 99 | 44.5 Ų | 44.5 | 64% | 0.643 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -24.6 | 178.3 | -28 | 35 | 0 | 0 | 0 | 114.8 | Y290 K291 | P288-Y290 VanDerWaalsContact C-N 3.3Å; P288-K291 WeakPolarHBondContact O-CD 3.45Å; P288-K291 WeakPolarHBondContact O-CG 3.49Å |
| 289 | Q | 95.4 | Very high | 96.8 | Very high | 76 Ų | 76 | 41 Ų | 41 | 36% | 0.355 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -32.1 | 175.7 | -176.8 | 174.4 | -27.9 | 0 | 0 | 112.8 | F249 Q274 D287 | F249-Q289 HydrophobicContact CE1-CG 3.77Å; F249-Q289 HydrophobicContact CZ-CG 4.13Å; F249-Q289 WeakPolarHBondContact CZ-O 3.18Å; Q274-Q289 VanDerWaalsContact OE1-NE2 3.11Å; D287-Q289 PolarHBondContact O-N 2.55Å; D287-Q289 VanDerWaalsContact OD1-CB 3.27Å; D287-Q289 WeakPolarHBondContact OD1-CB 3.48Å; D287-Q289 PolarHBondContact OD1-N 3.31Å |
| 290 | Y | 96.6 | Very high | 96.7 | Very high | 12 Ų | 12 | 38.5 Ų | 38.5 | 5% | 0.047 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | 0.1 | -174.8 | -45.3 | -57.9 | 0 | 0 | 0 | 114.1 | F249 F251 V283 D284 D287 P288 D292 V293 F342 | F249-Y290 HydrophobicContact CB-CE1 4.38Å; F249-Y290 HydrophobicContact CD1-CD1 4.16Å; F249-Y290 AromaticContact CD1-CE1 3.8Å; F249-Y290 HydrophobicContact CD1-CE1 3.8Å; F249-Y290 HydrophobicContact CD2-CD1 4.01Å; F249-Y290 HydrophobicContact CD2-CE1 4.39Å; F249-Y290 HydrophobicContact CE1-CD1 4.25Å; F249-Y290 HydrophobicContact CE1-CE1 4.12Å; F249-Y290 HydrophobicContact CE2-CD1 4.09Å; F249-Y290 HydrophobicContact CG-CD1 4.03Å; F249-Y290 AromaticContact CG-CE1 3.94Å; F249-Y290 HydrophobicContact CG-CE1 3.94Å; F249-Y290 HydrophobicContact CZ-CD1 4.2Å; F251-Y290 AromaticContact CZ-CE1 3.82Å; F251-Y290 HydrophobicContact CZ-CE1 3.82Å; F251-Y290 AromaticContact CZ-CZ 3.85Å; V283-Y290 HydrophobicContact CG1-CD2 3.74Å; V283-Y290 HydrophobicContact CG1-CE2 3.41Å; V283-Y290 VanDerWaalsContact CG1-CE2 3.41Å; D284-Y290 WeakPolarHBondContact O-CD2 3.26Å; D287-Y290 HydrophobicContact CB-CD2 3.68Å; D287-Y290 HydrophobicContact CB-CE2 3.9Å; D287-Y290 PolarHBondContact O-N 2.59Å; P288-Y290 VanDerWaalsContact C-N 3.3Å; Y290-D292 PolarHBondContact O-N 3.2Å; Y290-V293 VanDerWaalsContact O-CB 3.31Å; Y290-V293 WeakPolarHBondContact O-CB 3.31Å; Y290-V293 VanDerWaalsContact O-CG2 3.28Å; Y290-V293 WeakPolarHBondContact O-CG2 3.42Å; Y290-V293 PolarHBondContact O-N 3.48Å; Y290-F342 HydrophobicContact CD2-CE1 4.4Å; Y290-F342 HydrophobicContact CG-CE1 4.16Å |
| 291 | K | 95.1 | Very high | 96.3 | Very high | 113 Ų | 113 | 41.2 Ų | 41.2 | 49% | 0.491 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | -30.3 | -179.1 | 76.2 | -176.4 | -175.6 | 175.2 | 0 | 114.8 | D287 P288 R344 | D287-K291 PolarHBondContact O-N 3.15Å; P288-K291 WeakPolarHBondContact O-CD 3.45Å; P288-K291 WeakPolarHBondContact O-CG 3.49Å; K291-R344 WeakPolarHBondContact O-CD 3.42Å; K291-R344 VanDerWaalsContact O-CG 3.3Å; K291-R344 WeakPolarHBondContact O-CG 3.3Å |
| 292 | D | 96.9 | Very high | 95.9 | Very high | 48 Ų | 48 | 40.2 Ų | 40.2 | 26% | 0.257 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 5.1 | -175.2 | -68.3 | -42.9 | 0 | 0 | 0 | 113 | H223 Y290 E294 R344 | H223-D292 WeakPolarHBondContact CB-O 3.37Å; H223-D292 VanDerWaalsContact ND1-CB 3.33Å; H223-D292 WeakPolarHBondContact ND1-CB 3.35Å; Y290-D292 PolarHBondContact O-N 3.2Å; D292-E294 PolarHBondContact O-N 2.67Å; D292-R344 IonicContact OD1-CZ 3.63Å; D292-R344 IonicContact OD1-NH1 2.68Å; D292-R344 PolarHBondContact OD1-NH1 3.19Å |
| 293 | V | 98.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 120.3 | 178.9 | 172.5 | 0 | 0 | 0 | 0 | 110.4 | H223 I225 F249 Y290 I296 F342 R344 L345 | H223-V293 HydrophobicContact CB-CG2 4.17Å; I225-V293 HydrophobicContact CB-CG1 4.43Å; I225-V293 HydrophobicContact CD1-CB 4.35Å; I225-V293 HydrophobicContact CD1-CG1 3.84Å; I225-V293 HydrophobicContact CD1-CG2 3.94Å; I225-V293 HydrophobicContact CG1-CB 4.47Å; I225-V293 HydrophobicContact CG1-CG1 3.79Å; I225-V293 HydrophobicContact CG1-CG2 3.87Å; F249-V293 HydrophobicContact CD2-CG2 4.01Å; F249-V293 HydrophobicContact CE2-CG2 3.88Å; Y290-V293 VanDerWaalsContact O-CB 3.31Å; Y290-V293 WeakPolarHBondContact O-CB 3.31Å; Y290-V293 VanDerWaalsContact O-CG2 3.28Å; Y290-V293 WeakPolarHBondContact O-CG2 3.42Å; Y290-V293 PolarHBondContact O-N 3.48Å; V293-I296 HydrophobicContact CG1-CD1 4.38Å; V293-I296 HydrophobicContact CG1-CG1 3.95Å; V293-F342 HydrophobicContact CB-CD1 4.32Å; V293-F342 HydrophobicContact CG1-CD1 4.46Å; V293-R344 CarbonylContact O-C 3.6Å; V293-R344 VanDerWaalsContact O-C 3.26Å; V293-L345 PolarHBondContact O-N 3.49Å |
| 294 | E | 98.1 | Very high | 94.2 | Very high | 44 Ų | 44 | 37.6 Ų | 37.6 | 21% | 0.206 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | -20.8 | -177.7 | -67.1 | 174.4 | 115.3 | 0 | 0 | 112.6 | H223 D292 R344 K346 R347 | H223-E294 PolarHBondContact O-N 3.15Å; H223-E294 VanDerWaalsContact O-N 3.09Å; D292-E294 PolarHBondContact O-N 2.67Å; E294-R344 WeakPolarHBondContact CA-O 3.32Å; E294-K346 HydrophobicContact CB-CD 4.22Å; E294-K346 HydrophobicContact CB-CG 4.36Å; E294-K346 HydrophobicContact CG-CD 4.32Å; E294-K346 WeakPolarHBondContact O-CB 3.25Å; E294-K346 PolarHBondContact O-N 3.48Å; E294-K346 WeakPolarHBondContact OE1-CE 3.37Å; E294-K346 IonicContact OE1-NZ 2.62Å; E294-K346 PolarHBondContact OE1-NZ 3.07Å; E294-R347 PolarHBondContact O-N 3.15Å |
| 295 | Y | 98.7 | Very high | 93.1 | Very high | 16 Ų | 16 | 34.8 Ų | 34.8 | 6% | 0.063 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 135.6 | -172.9 | -56.1 | -84.6 | 0 | 0 | 0 | 110.9 | L216 P218 P219 H223 V224 I225 R347 | L216-Y295 HydrophobicContact CD1-CD1 4Å; L216-Y295 HydrophobicContact CG-CD1 4.39Å; P218-Y295 HydrophobicContact CB-CD2 3.97Å; P218-Y295 HydrophobicContact CB-CE2 4.49Å; P218-Y295 HydrophobicContact CB-CG 4Å; P219-Y295 VanDerWaalsContact CD-CE2 3.44Å; P219-Y295 VanDerWaalsContact CD-CZ 3.48Å; P219-Y295 WeakPolarHBondContact CD-OH 3.38Å; P219-Y295 HydrophobicContact CG-CE2 4.12Å; H223-Y295 PolarHBondContact O-N 2.9Å; V224-Y295 CarbonylContact C-O 3.56Å; V224-Y295 VanDerWaalsContact CA-O 3.26Å; V224-Y295 WeakPolarHBondContact CA-O 3.43Å; V224-Y295 HydrophobicContact CG2-CD2 4.4Å; I225-Y295 PolarHBondContact N-O 3Å; Y295-R347 WeakPolarHBondContact CA-O 3.24Å; Y295-R347 HydrophobicContact CD1-CB 4.09Å; Y295-R347 HydrophobicContact CE1-CB 4.34Å |
| 296 | I | 98.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 132.5 | 176.8 | -59.8 | -179.2 | 0 | 0 | 0 | 109.7 | I225 V293 S339 F342 L345 R347 L348 V349 | I225-I296 HydrophobicContact CB-CG1 4.12Å; I225-I296 HydrophobicContact CB-CG2 4.44Å; I225-I296 HydrophobicContact CG2-CG2 4.45Å; I225-I296 CarbonylContact O-C 3.57Å; I225-I296 WeakPolarHBondContact O-CA 3.32Å; V293-I296 HydrophobicContact CG1-CD1 4.38Å; V293-I296 HydrophobicContact CG1-CG1 3.95Å; I296-S339 WeakPolarHBondContact CD1-O 3.21Å; I296-F342 HydrophobicContact CD1-CB 4.17Å; I296-F342 HydrophobicContact CD1-CD2 3.65Å; I296-F342 HydrophobicContact CD1-CE2 4.19Å; I296-F342 HydrophobicContact CD1-CG 3.9Å; I296-L345 HydrophobicContact CB-CD1 4.11Å; I296-L345 HydrophobicContact CD1-CD1 3.78Å; I296-L345 HydrophobicContact CD1-CD2 4.4Å; I296-L345 HydrophobicContact CG1-CD1 3.59Å; I296-R347 PolarHBondContact N-O 3.49Å; I296-R347 VanDerWaalsContact N-O 3.12Å; I296-L348 HydrophobicContact CB-CB 4.49Å; I296-L348 HydrophobicContact CB-CD1 4.03Å; I296-L348 HydrophobicContact CB-CG 4.21Å; I296-L348 HydrophobicContact CG2-CD1 3.98Å; I296-L348 HydrophobicContact CG2-CG 4.37Å; I296-L348 CarbonylContact O-C 3.45Å; I296-L348 VanDerWaalsContact O-CA 3.28Å; I296-L348 WeakPolarHBondContact O-CA 3.44Å; I296-V349 PolarHBondContact O-N 3.27Å |
| 297 | L | 98.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 122 | 164.9 | -168.3 | 156.8 | 0 | 0 | 0 | 108 | P212 A213 L216 I225 A227 K234 L238 D299 | P212-L297 HydrophobicContact CB-CD1 3.95Å; P212-L297 HydrophobicContact CB-CG 4.28Å; A213-L297 HydrophobicContact CB-CD1 4.13Å; L216-L297 HydrophobicContact CD2-CB 3.99Å; I225-L297 PolarHBondContact O-N 3.28Å; A227-L297 PolarHBondContact N-O 3.35Å; K234-L297 HydrophobicContact CB-CD1 4.06Å; K234-L297 HydrophobicContact CB-CD2 4.36Å; K234-L297 HydrophobicContact CD-CD1 4.27Å; K234-L297 HydrophobicContact CD-CD2 3.78Å; L238-L297 HydrophobicContact CD1-CB 4.02Å; L238-L297 HydrophobicContact CD1-CD1 3.84Å; L238-L297 HydrophobicContact CD2-CD1 4.17Å; L238-L297 HydrophobicContact CG-CD1 4.12Å; L297-D299 HydrophobicContact CD2-CB 3.85Å |
| 298 | L | 98.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 103.2 | 178.1 | 177.1 | 57.3 | 0 | 0 | 0 | 109.8 | A227 P300 C335 L336 V349 Y350 S351 | A227-L298 HydrophobicContact CB-CD1 3.75Å; L298-P300 VanDerWaalsContact C-CD 3.47Å; L298-P300 HydrophobicContact CD1-CB 4.26Å; L298-P300 HydrophobicContact CD1-CG 4.37Å; L298-P300 HydrophobicContact CG-CG 4.42Å; L298-P300 WeakPolarHBondContact O-CD 3.34Å; L298-C335 HydrophobicContact CD1-CB 3.88Å; L298-C335 HydrophobicContact CD2-CB 4.01Å; L298-L336 VanDerWaalsContact CD2-CA 3.43Å; L298-L336 HydrophobicContact CD2-CB 3.87Å; L298-L336 HydrophobicContact CD2-CD1 3.86Å; L298-L336 HydrophobicContact CD2-CG 4.48Å; L298-V349 PolarHBondContact N-O 3.02Å; L298-Y350 HydrophobicContact CD2-CD2 4.01Å; L298-Y350 HydrophobicContact CG-CD2 4.08Å; L298-Y350 CarbonylContact O-C 3.59Å; L298-Y350 WeakPolarHBondContact O-CA 3.47Å; L298-S351 PolarHBondContact O-N 3.5Å |
| 299 | D | 96.5 | Very high | 86.5 | Confident | 32 Ų | 32 | 30.9 Ų | 30.9 | 17% | 0.171 | 17% | 0.17 | C | C | . | . | trans | -119 | 71.2 | 176.2 | -174.7 | 66.1 | 0 | 0 | 0 | 110.3 | C228 K234 L297 S351 | C228-D299 WeakPolarHBondContact CB-O 3.16Å; K234-D299 HydrophobicContact CD-CB 3.99Å; K234-D299 VanDerWaalsContact CE-CG 3.43Å; K234-D299 WeakPolarHBondContact CE-OD1 3.48Å; K234-D299 WeakPolarHBondContact CE-OD2 3.11Å; K234-D299 IonicContact NZ-OD1 3.63Å; K234-D299 PolarHBondContact NZ-OD1 3.06Å; K234-D299 IonicContact NZ-OD2 3.82Å; K234-D299 PolarHBondContact NZ-OD2 3.04Å; L297-D299 HydrophobicContact CD2-CB 3.85Å; D299-S351 PolarHBondContact OD1-OG 3.03Å | ||
| 300 | P | 93.9 | Very high | 84.3 | Confident | 4 Ų | 4 | 30.2 Ų | 30.2 | 3% | 0.026 | 17% | 0.169 | C | C | . | . | trans | -72.5 | 167.5 | -170.2 | 31.2 | -36.1 | 0 | 0 | 0 | 112.3 | L298 C302 F331 Q332 Y350 S351 | L298-P300 VanDerWaalsContact C-CD 3.47Å; L298-P300 HydrophobicContact CD1-CB 4.26Å; L298-P300 HydrophobicContact CD1-CG 4.37Å; L298-P300 HydrophobicContact CG-CG 4.42Å; L298-P300 WeakPolarHBondContact O-CD 3.34Å; P300-C302 PolarHBondContact O-N 2.92Å; P300-F331 HydrophobicContact CB-CE1 4.22Å; P300-Q332 HydrophobicContact CB-CG 4.14Å; P300-Q332 HydrophobicContact CG-CB 4.34Å; P300-Q332 HydrophobicContact CG-CG 3.71Å; P300-Y350 HydrophobicContact CG-CE2 3.79Å; P300-S351 WeakPolarHBondContact CD-O 3.44Å | ||
| 301 | S | 88.7 | Confident | 81.9 | Confident | 63 Ų | 63 | 34.3 Ų | 34.3 | 44% | 0.441 | 18% | 0.184 | S | C | . | . | trans | -52.8 | 126.1 | 169.3 | -66.5 | 0 | 0 | 0 | 0 | 110.9 | Q332 | S301-Q332 PolarHBondContact O-NE2 3.41Š| ||
| 302 | C | 88.5 | Confident | 79.3 | Confident | 17 Ų | 17 | 35.3 Ų | 35.3 | 12% | 0.115 | 20% | 0.195 | C | C | . | . | trans | -122.2 | 168.4 | -176.6 | 100.6 | 0 | 0 | 0 | 0 | 110.4 | P300 G304 C353 E359 | P300-C302 PolarHBondContact O-N 2.92Å; C302-G304 PolarHBondContact O-N 3.16Å; C302-G304 VanDerWaalsContact SG-CA 3.53Å; C302-G304 PolarHBondContact SG-N 3.38Å; C302-C353 WeakPolarHBondContact CB-SG 3.39Å; C302-C353 WeakPolarHBondContact SG-CA 3.42Å; C302-C353 WeakPolarHBondContact SG-CB 3.2Å; C302-C353 PolarHBondContact SG-N 2.95Å; C302-C353 VanDerWaalsContact SG-N 3.4Å; C302-C353 CovalentContact SG-SG 2.07Å; C302-C353 PolarHBondContact SG-SG 3.14Å; C302-E359 WeakPolarHBondContact CA-OE1 3.21Å | ||
| 303 | S | 79.3 | Confident | 76.9 | Confident | 16 Ų | 16 | 38.4 Ų | 38.4 | 11% | 0.112 | 20% | 0.203 | C | C | . | . | trans | -57.1 | -30.2 | 174 | 57.8 | 0 | 0 | 0 | 0 | 113.6 | S305 S354 E359 | S303-S305 VanDerWaalsContact C-N 3.32Å; S303-S305 PolarHBondContact OG-N 3.32Å; S303-S305 PolarHBondContact OG-OG 2.87Å; S303-S305 VanDerWaalsContact OG-OG 3.06Å; S303-S354 PolarHBondContact OG-OG 3.42Å; S303-E359 WeakPolarHBondContact CB-OE2 3.5Å; S303-E359 PolarHBondContact N-OE1 2.98Å; S303-E359 PolarHBondContact OG-OE2 3.48Å | ||
| 304 | G | 77.8 | Confident | 74.2 | Confident | 3 Ų | 3 | 42.4 Ų | 42.4 | 3% | 0.031 | 23% | 0.231 | C | C | . | . | trans | 80.5 | 11.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | C302 G306 M307 C353 | C302-G304 PolarHBondContact O-N 3.16Å; C302-G304 VanDerWaalsContact SG-CA 3.53Å; C302-G304 PolarHBondContact SG-N 3.38Å; G304-G306 PolarHBondContact O-N 3.49Å; G304-M307 VanDerWaalsContact CA-CE 3.5Å; G304-M307 WeakPolarHBondContact O-CB 3.41Å; G304-M307 PolarHBondContact O-N 3.47Å; G304-C353 CarbonylContact C-O 3.59Å | ||
| 305 | S | 73.6 | Confident | 71.6 | Confident | 22 Ų | 22 | 46.6 Ų | 46.6 | 15% | 0.154 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -22.6 | -175 | 55.8 | 0 | 0 | 0 | 0 | 114.4 | S303 S354 I355 H356 | S303-S305 VanDerWaalsContact C-N 3.32Å; S303-S305 PolarHBondContact OG-N 3.32Å; S303-S305 PolarHBondContact OG-OG 2.87Å; S303-S305 VanDerWaalsContact OG-OG 3.06Å; S305-S354 WeakPolarHBondContact OG-CA 3.47Å; S305-S354 PolarHBondContact OG-OG 3.43Å; S305-I355 PolarHBondContact OG-N 3.4Å; S305-I355 VanDerWaalsContact OG-N 3.07Å; S305-H356 PolarHBondContact OG-CD2 3.05Å |
| 306 | G | 66.3 | Low | 69.2 | Low | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -19.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | G304 V308 C353 G406 | G304-G306 PolarHBondContact O-N 3.49Å; G306-V308 PolarHBondContact O-N 3.22Å; G306-C353 WeakPolarHBondContact CA-O 3.45Å; G306-C353 PolarHBondContact N-O 3.18Å; G306-G406 WeakPolarHBondContact O-CA 3.39Å; G306-G406 PolarHBondContact O-N 2.94Å |
| 307 | M | 70.6 | Confident | 67.1 | Low | 68 Ų | 68 | 53.2 Ų | 53.2 | 34% | 0.335 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -77 | 121.5 | 177.3 | -68.8 | -175.6 | -84 | 0 | 0 | 109.9 | G304 C309 L310 C353 | G304-M307 VanDerWaalsContact CA-CE 3.5Å; G304-M307 WeakPolarHBondContact O-CB 3.41Å; G304-M307 PolarHBondContact O-N 3.47Å; M307-C309 PolarHBondContact O-N 2.94Å; M307-L310 HydrophobicContact CB-CB 4.36Å; M307-L310 HydrophobicContact CB-CD1 3.96Å; M307-L310 HydrophobicContact CB-CG 4.49Å; M307-L310 HydrophobicContact CE-CD1 3.26Å; M307-L310 PolarHBondContact O-N 2.91Å; M307-L310 HydrophobicContact SD-CD1 3.95Å; M307-C353 HydrophobicContact CE-CB 4.45Å; M307-C353 HydrophobicContact CG-CB 4.48Å |
| 308 | V | 57.4 | Low | 65.5 | Low | 4 Ų | 4 | 60.1 Ų | 60.1 | 2% | 0.024 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -64.9 | -31.1 | -172.6 | -165.8 | 0 | 0 | 0 | 0 | 112.5 | P125 A126 L129 G306 L310 R311 T399 | P125-V308 HydrophobicContact CB-CG1 4.16Å; P125-V308 HydrophobicContact CG-CG1 4.39Å; A126-V308 HydrophobicContact CB-CB 3.57Å; A126-V308 HydrophobicContact CB-CG1 3.54Å; A126-V308 HydrophobicContact CB-CG2 4.37Å; A126-V308 VanDerWaalsContact N-CG1 3.33Å; L129-V308 HydrophobicContact CD1-CG2 4.13Å; G306-V308 PolarHBondContact O-N 3.22Å; V308-L310 PolarHBondContact O-N 3.19Å; V308-L310 VanDerWaalsContact O-N 3.09Å; V308-R311 PolarHBondContact O-N 3.48Å; V308-T399 HydrophobicContact CG2-CG2 3.28Å |
| 309 | C | 48.9 | Very low | 64.3 | Low | 110 Ų | 110 | 66.5 Ų | 66.5 | 74% | 0.743 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -65 | -10.6 | 174.5 | -50.4 | 0 | 0 | 0 | 0 | 114.1 | M307 | M307-C309 PolarHBondContact O-N 2.94Š|
| 310 | L | 50.1 | Low | 63.2 | Low | 62 Ų | 62 | 71 Ų | 71 | 33% | 0.325 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -114.9 | 3.2 | -176.8 | -73.3 | 163.8 | 0 | 0 | 0 | 112.9 | M307 V308 R313 | M307-L310 HydrophobicContact CB-CB 4.36Å; M307-L310 HydrophobicContact CB-CD1 3.96Å; M307-L310 HydrophobicContact CB-CG 4.49Å; M307-L310 HydrophobicContact CE-CD1 3.26Å; M307-L310 PolarHBondContact O-N 2.91Å; M307-L310 HydrophobicContact SD-CD1 3.95Å; V308-L310 PolarHBondContact O-N 3.19Å; V308-L310 VanDerWaalsContact O-N 3.09Å; L310-R313 WeakPolarHBondContact O-CG 3.39Å |
| 311 | R | 46.5 | Very low | 62.3 | Low | 99 Ų | 99 | 75.3 Ų | 75.3 | 37% | 0.374 | 40% | 0.404 | S | S | . | . | trans | -74.2 | -25.3 | 177.7 | -77.8 | -175.3 | 174.7 | 172.4 | -3.1 | 113.5 | V308 R313 | V308-R311 PolarHBondContact O-N 3.48Å; R311-R313 PolarHBondContact O-N 3.39Å | ||
| 312 | D | 39.9 | Very low | 62 | Low | 133 Ų | 133 | 77.8 Ų | 77.8 | 71% | 0.711 | 41% | 0.406 | S | S | * | . | trans | -81.4 | 48.3 | 178.8 | -65 | -27.8 | 0 | 0 | 0 | 112.6 | ||||
| 313 | R | 47.2 | Very low | 62 | Low | 113 Ų | 113 | 79.9 Ų | 79.9 | 43% | 0.426 | 43% | 0.425 | S | S | . | . | trans | -87.2 | 121.1 | 170.6 | -73.9 | -179.9 | -179.7 | -170.7 | 8 | 108.6 | L310 R311 | L310-R313 WeakPolarHBondContact O-CG 3.39Å; R311-R313 PolarHBondContact O-N 3.39Å | ||
| 314 | S | 40.8 | Very low | 62.4 | Low | 85 Ų | 85 | 85.2 Ų | 85.2 | 59% | 0.594 | 44% | 0.443 | S | S | * | . | trans | -55.9 | 150.6 | 170.6 | 56 | 0 | 0 | 0 | 0 | 110.7 | A316 | S314-A316 PolarHBondContact O-N 2.92Š| ||
| 315 | P | 42.8 | Very low | 62.9 | Low | 132 Ų | 132 | 86 Ų | 86 | 86% | 0.857 | 45% | 0.446 | S | S | * | . | trans | -61.4 | 99.1 | 179 | 26.1 | -33.1 | 0 | 0 | 0 | 109.2 | ||||
| 316 | A | 48.5 | Very low | 63.8 | Low | 24 Ų | 24 | 87.6 Ų | 87.6 | 20% | 0.198 | 46% | 0.461 | C | S | . | . | trans | -77 | 164 | 164 | 0 | 0 | 0 | 0 | 0 | 108.1 | K17 S314 Q318 | K17-A316 VanDerWaalsContact NZ-CB 3.34Å; S314-A316 PolarHBondContact O-N 2.92Å; A316-Q318 PolarHBondContact O-N 2.93Å | ||
| 317 | D | 55.5 | Low | 65.1 | Low | 130 Ų | 130 | 90.2 Ų | 90.2 | 70% | 0.695 | 48% | 0.482 | S | S | * | . | trans | -49.5 | 112.8 | 174.6 | -67.4 | -41.3 | 0 | 0 | 0 | 109.2 | E319 E320 E321 | D317-E319 PolarHBondContact O-N 3.2Å; D317-E320 PolarHBondContact O-N 3.42Å; D317-E321 PolarHBondContact O-N 3.25Å | ||
| 318 | Q | 65.1 | Low | 66.1 | Low | 146 Ų | 146 | 88.3 Ų | 88.3 | 68% | 0.682 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -53.7 | -25.9 | -171.8 | -68.6 | -179.2 | -9.8 | 0 | 0 | 112.2 | A316 K322 | A316-Q318 PolarHBondContact O-N 2.93Å; Q318-K322 WeakPolarHBondContact O-CB 3.43Å; Q318-K322 VanDerWaalsContact O-CG 3.25Å; Q318-K322 WeakPolarHBondContact O-CG 3.35Å; Q318-K322 PolarHBondContact O-N 3.43Å |
| 319 | E | 71.9 | Confident | 68 | Low | 133 Ų | 133 | 88.9 Ų | 88.9 | 62% | 0.621 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -72.5 | -40.5 | 179.5 | -150.4 | 58.6 | -152.5 | 0 | 0 | 113 | D317 E321 K322 A323 | D317-E319 PolarHBondContact O-N 3.2Å; E319-E321 VanDerWaalsContact C-N 3.32Å; E319-E321 PolarHBondContact O-N 3.28Å; E319-K322 PolarHBondContact O-N 2.95Å; E319-K322 IonicContact OE2-NZ 3.86Å; E319-A323 WeakPolarHBondContact O-CB 3.44Å; E319-A323 PolarHBondContact O-N 3.22Å |
| 320 | E | 74.5 | Confident | 70.2 | Confident | 126 Ų | 126 | 86.4 Ų | 86.4 | 59% | 0.589 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -66.3 | -38.2 | 176.4 | -167.2 | -169.5 | -176.1 | 0 | 0 | 110.7 | D317 R324 | D317-E320 PolarHBondContact O-N 3.42Å; E320-R324 WeakPolarHBondContact O-CB 3.38Å; E320-R324 PolarHBondContact O-N 2.92Å |
| 321 | E | 74.3 | Confident | 72.4 | Confident | 96 Ų | 96 | 85.8 Ų | 85.8 | 45% | 0.449 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -67.3 | -43.8 | 177.2 | -175.5 | 163.6 | -155.8 | 0 | 0 | 112.2 | D317 E319 R324 L325 | D317-E321 PolarHBondContact O-N 3.25Å; E319-E321 VanDerWaalsContact C-N 3.32Å; E319-E321 PolarHBondContact O-N 3.28Å; E321-R324 PolarHBondContact O-N 2.97Å; E321-L325 WeakPolarHBondContact O-CB 3.27Å; E321-L325 PolarHBondContact O-N 3.17Å |
| 322 | K | 83.7 | Confident | 74.9 | Confident | 114 Ų | 114 | 81.1 Ų | 81.1 | 50% | 0.496 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60.9 | -46.4 | 173.4 | -75.7 | 172.9 | -172.2 | 171.9 | 0 | 111.9 | Q318 E319 R324 L325 A326 | Q318-K322 WeakPolarHBondContact O-CB 3.43Å; Q318-K322 VanDerWaalsContact O-CG 3.25Å; Q318-K322 WeakPolarHBondContact O-CG 3.35Å; Q318-K322 PolarHBondContact O-N 3.43Å; E319-K322 PolarHBondContact O-N 2.95Å; E319-K322 IonicContact OE2-NZ 3.86Å; K322-R324 VanDerWaalsContact C-N 3.32Å; K322-R324 PolarHBondContact O-N 3.48Å; K322-L325 PolarHBondContact O-N 3.36Å; K322-A326 PolarHBondContact O-N 2.89Å |
| 323 | A | 87.1 | Confident | 77.7 | Confident | 62 Ų | 62 | 76.6 Ų | 76.6 | 51% | 0.512 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61 | -42.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | E319 A326 A327 | E319-A323 WeakPolarHBondContact O-CB 3.44Å; E319-A323 PolarHBondContact O-N 3.22Å; A323-A326 PolarHBondContact O-N 2.77Å; A323-A327 WeakPolarHBondContact O-CB 3.48Å; A323-A327 PolarHBondContact O-N 3.15Å |
| 324 | R | 87.1 | Confident | 80.1 | Confident | 128 Ų | 128 | 77.9 Ų | 77.9 | 48% | 0.483 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.8 | -43.8 | 174.3 | 178 | -178.7 | 169.8 | 168.3 | 1.3 | 112.1 | E320 E321 K322 A327 L328 | E320-R324 WeakPolarHBondContact O-CB 3.38Å; E320-R324 PolarHBondContact O-N 2.92Å; E321-R324 PolarHBondContact O-N 2.97Å; K322-R324 VanDerWaalsContact C-N 3.32Å; K322-R324 PolarHBondContact O-N 3.48Å; R324-A327 PolarHBondContact O-N 3.14Å; R324-L328 HydrophobicContact CG-CD1 4.15Å; R324-L328 WeakPolarHBondContact O-CG 3.38Å; R324-L328 PolarHBondContact O-N 2.74Å |
| 325 | L | 89.3 | Confident | 82.8 | Confident | 19 Ų | 19 | 73.9 Ų | 73.9 | 10% | 0.099 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -62.2 | -44.2 | 179.8 | -173.3 | 58.9 | 0 | 0 | 0 | 111.1 | E321 K322 L328 A329 H356 Q358 E359 | E321-L325 WeakPolarHBondContact O-CB 3.27Å; E321-L325 PolarHBondContact O-N 3.17Å; K322-L325 PolarHBondContact O-N 3.36Å; L325-L328 PolarHBondContact O-N 3Å; L325-A329 PolarHBondContact O-N 2.96Å; L325-H356 HydrophobicContact CD1-CB 4.26Å; L325-H356 HydrophobicContact CD2-CB 4.18Å; L325-Q358 HydrophobicContact CG-CB 4.43Å; L325-Q358 VanDerWaalsContact CG-OE1 3.31Å; L325-E359 VanDerWaalsContact CD1-CD 3.42Å; L325-E359 HydrophobicContact CD1-CG 3.55Å; L325-E359 WeakPolarHBondContact CD1-OE2 3.25Å |
| 326 | A | 92.8 | Very high | 85.4 | Confident | 56 Ų | 56 | 67.6 Ų | 67.6 | 46% | 0.463 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K322 A323 L328 A329 S330 | K322-A326 PolarHBondContact O-N 2.89Å; A323-A326 PolarHBondContact O-N 2.77Å; A326-L328 VanDerWaalsContact C-N 3.34Å; A326-L328 PolarHBondContact O-N 3.05Å; A326-A329 PolarHBondContact O-N 3.21Å; A326-S330 WeakPolarHBondContact O-CB 3.35Å; A326-S330 PolarHBondContact O-N 2.95Å |
| 327 | A | 92.6 | Very high | 87.8 | Confident | 55 Ų | 55 | 67.9 Ų | 67.9 | 46% | 0.455 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.5 | -41.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | A323 R324 S330 F331 | A323-A327 WeakPolarHBondContact O-CB 3.48Å; A323-A327 PolarHBondContact O-N 3.15Å; R324-A327 PolarHBondContact O-N 3.14Å; A327-S330 PolarHBondContact O-N 3.49Å; A327-S330 PolarHBondContact O-OG 3.14Å; A327-F331 PolarHBondContact O-N 3.32Å |
| 328 | L | 93.1 | Very high | 89.8 | Confident | 28 Ų | 28 | 62.4 Ų | 62.4 | 15% | 0.147 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.5 | -48.4 | 175.4 | -72.7 | 168.6 | 0 | 0 | 0 | 111.8 | R324 L325 A326 S330 F331 Q332 | R324-L328 HydrophobicContact CG-CD1 4.15Å; R324-L328 WeakPolarHBondContact O-CG 3.38Å; R324-L328 PolarHBondContact O-N 2.74Å; L325-L328 PolarHBondContact O-N 3Å; A326-L328 VanDerWaalsContact C-N 3.34Å; A326-L328 PolarHBondContact O-N 3.05Å; L328-S330 VanDerWaalsContact C-N 3.3Å; L328-S330 PolarHBondContact O-N 2.86Å; L328-F331 WeakPolarHBondContact O-CB 3.46Å; L328-F331 PolarHBondContact O-N 2.52Å; L328-F331 VanDerWaalsContact O-N 3.13Å; L328-Q332 WeakPolarHBondContact O-CB 3.09Å; L328-Q332 WeakPolarHBondContact O-CG 3.45Å; L328-Q332 PolarHBondContact O-N 2.67Å |
| 329 | A | 95.5 | Very high | 91.4 | Very high | 15 Ų | 15 | 55.4 Ų | 55.4 | 12% | 0.124 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.4 | -43.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | L325 A326 F331 Q332 L333 Q358 V363 | L325-A329 PolarHBondContact O-N 2.96Å; A326-A329 PolarHBondContact O-N 3.21Å; A329-F331 VanDerWaalsContact C-N 3.34Å; A329-F331 PolarHBondContact O-N 3.23Å; A329-Q332 PolarHBondContact O-N 3.28Å; A329-L333 WeakPolarHBondContact O-CB 3.24Å; A329-L333 PolarHBondContact O-N 2.92Å; A329-Q358 WeakPolarHBondContact CB-O 3.44Å; A329-V363 HydrophobicContact CB-CG2 4.23Å |
| 330 | S | 96.7 | Very high | 92.6 | Very high | 59 Ų | 59 | 49.5 Ų | 49.5 | 41% | 0.413 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.1 | -38.6 | 176.9 | 80 | 0 | 0 | 0 | 0 | 112.7 | A326 A327 L328 R334 | A326-S330 WeakPolarHBondContact O-CB 3.35Å; A326-S330 PolarHBondContact O-N 2.95Å; A327-S330 PolarHBondContact O-N 3.49Å; A327-S330 PolarHBondContact O-OG 3.14Å; L328-S330 VanDerWaalsContact C-N 3.3Å; L328-S330 PolarHBondContact O-N 2.86Å; S330-R334 WeakPolarHBondContact O-CG 3.44Å; S330-R334 PolarHBondContact O-N 3.5Å; S330-R334 VanDerWaalsContact O-N 3.14Å |
| 331 | F | 96.3 | Very high | 93.6 | Very high | 49 Ų | 49 | 50.7 Ų | 50.7 | 22% | 0.215 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.8 | -44.9 | 175.7 | 170.8 | -103.3 | 0 | 0 | 0 | 111.2 | L281 P300 A327 L328 A329 L333 R334 C335 | L281-F331 HydrophobicContact CD1-CD2 4.1Å; L281-F331 HydrophobicContact CD1-CE2 3.84Å; L281-F331 HydrophobicContact CG-CE2 4.48Å; P300-F331 HydrophobicContact CB-CE1 4.22Å; A327-F331 PolarHBondContact O-N 3.32Å; L328-F331 WeakPolarHBondContact O-CB 3.46Å; L328-F331 PolarHBondContact O-N 2.52Å; L328-F331 VanDerWaalsContact O-N 3.13Å; A329-F331 VanDerWaalsContact C-N 3.34Å; A329-F331 PolarHBondContact O-N 3.23Å; F331-L333 VanDerWaalsContact C-N 3.35Å; F331-L333 PolarHBondContact O-N 3.39Å; F331-R334 WeakPolarHBondContact O-CB 3.43Å; F331-R334 PolarHBondContact O-N 2.82Å; F331-R334 VanDerWaalsContact O-N 3.17Å; F331-C335 VanDerWaalsContact CE2-SG 3.58Å; F331-C335 WeakPolarHBondContact CZ-SG 3.26Å; F331-C335 PolarHBondContact O-N 3.41Å; F331-C335 PolarHBondContact O-SG 2.95Å; F331-C335 VanDerWaalsContact O-SG 3.41Å |
| 332 | Q | 97.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59 | -45.1 | 177.6 | -68.9 | 159.4 | 2.4 | 0 | 0 | 111.5 | P300 S301 L328 A329 R334 C335 L336 Y350 E359 V363 | P300-Q332 HydrophobicContact CB-CG 4.14Å; P300-Q332 HydrophobicContact CG-CB 4.34Å; P300-Q332 HydrophobicContact CG-CG 3.71Å; S301-Q332 PolarHBondContact O-NE2 3.41Å; L328-Q332 WeakPolarHBondContact O-CB 3.09Å; L328-Q332 WeakPolarHBondContact O-CG 3.45Å; L328-Q332 PolarHBondContact O-N 2.67Å; A329-Q332 PolarHBondContact O-N 3.28Å; Q332-R334 PolarHBondContact O-N 2.96Å; Q332-C335 PolarHBondContact O-N 2.93Å; Q332-L336 WeakPolarHBondContact O-CB 3.46Å; Q332-L336 PolarHBondContact O-N 2.92Å; Q332-Y350 HydrophobicContact CB-CE2 4.39Å; Q332-Y350 PolarHBondContact OE1-OH 3.47Å; Q332-E359 PolarHBondContact NE2-OE1 2.99Å; Q332-E359 VanDerWaalsContact OE1-CA 3.25Å; Q332-E359 PolarHBondContact OE1-O 2.97Å; Q332-V363 HydrophobicContact CB-CG1 4.23Å; Q332-V363 HydrophobicContact CB-CG2 4.32Å |
| 333 | L | 98.2 | Very high | 95.2 | Very high | 38 Ų | 38 | 43.7 Ų | 43.7 | 20% | 0.199 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.5 | -43.9 | 175 | -179.5 | 59.5 | 0 | 0 | 0 | 112 | A329 F331 C335 L336 N337 V363 A366 C367 | A329-L333 WeakPolarHBondContact O-CB 3.24Å; A329-L333 PolarHBondContact O-N 2.92Å; F331-L333 VanDerWaalsContact C-N 3.35Å; F331-L333 PolarHBondContact O-N 3.39Å; L333-C335 PolarHBondContact O-N 3.4Å; L333-L336 PolarHBondContact O-N 3.44Å; L333-N337 WeakPolarHBondContact O-CB 3.48Å; L333-N337 PolarHBondContact O-N 2.68Å; L333-N337 PolarHBondContact O-ND2 3.49Å; L333-V363 HydrophobicContact CB-CG1 4.17Å; L333-V363 HydrophobicContact CD1-CG1 4.43Å; L333-A366 HydrophobicContact CD1-CB 4Å; L333-A366 HydrophobicContact CD2-CB 4.03Å; L333-C367 HydrophobicContact CD1-CB 3.89Å |
| 334 | R | 97.9 | Very high | 95.7 | Very high | 141 Ų | 141 | 47.9 Ų | 47.9 | 53% | 0.532 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.9 | -44.8 | 175.5 | -74.4 | -171.7 | -63.6 | 145.7 | -1.8 | 112 | L281 S330 F331 Q332 L336 H338 | L281-R334 HydrophobicContact CD1-CB 4.38Å; L281-R334 HydrophobicContact CD2-CB 4.22Å; S330-R334 WeakPolarHBondContact O-CG 3.44Å; S330-R334 PolarHBondContact O-N 3.5Å; S330-R334 VanDerWaalsContact O-N 3.14Å; F331-R334 WeakPolarHBondContact O-CB 3.43Å; F331-R334 PolarHBondContact O-N 2.82Å; F331-R334 VanDerWaalsContact O-N 3.17Å; Q332-R334 PolarHBondContact O-N 2.96Å; R334-L336 VanDerWaalsContact C-N 3.34Å; R334-H338 WeakPolarHBondContact O-CB 3.38Å; R334-H338 PolarHBondContact O-N 3.12Å |
| 335 | C | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.1 | -40 | 177.5 | -68.3 | 0 | 0 | 0 | 0 | 112 | L281 L298 F331 Q332 L333 H338 S339 | L281-C335 HydrophobicContact CD2-CB 4.38Å; L298-C335 HydrophobicContact CD1-CB 3.88Å; L298-C335 HydrophobicContact CD2-CB 4.01Å; F331-C335 VanDerWaalsContact CE2-SG 3.58Å; F331-C335 WeakPolarHBondContact CZ-SG 3.26Å; F331-C335 PolarHBondContact O-N 3.41Å; F331-C335 PolarHBondContact O-SG 2.95Å; F331-C335 VanDerWaalsContact O-SG 3.41Å; Q332-C335 PolarHBondContact O-N 2.93Å; L333-C335 PolarHBondContact O-N 3.4Å; C335-H338 PolarHBondContact O-N 3.48Å; C335-S339 WeakPolarHBondContact O-CB 3.37Å; C335-S339 PolarHBondContact O-N 3.27Å; C335-S339 PolarHBondContact O-OG 2.89Å |
| 336 | L | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66 | -51.1 | 179.4 | -172.4 | 60.5 | 0 | 0 | 0 | 110.7 | L298 Q332 L333 R334 H338 S339 L340 L348 Y350 V363 C367 | L298-L336 VanDerWaalsContact CD2-CA 3.43Å; L298-L336 HydrophobicContact CD2-CB 3.87Å; L298-L336 HydrophobicContact CD2-CD1 3.86Å; L298-L336 HydrophobicContact CD2-CG 4.48Å; Q332-L336 WeakPolarHBondContact O-CB 3.46Å; Q332-L336 PolarHBondContact O-N 2.92Å; L333-L336 PolarHBondContact O-N 3.44Å; R334-L336 VanDerWaalsContact C-N 3.34Å; L336-H338 VanDerWaalsContact C-N 3.31Å; L336-H338 PolarHBondContact O-N 3.07Å; L336-S339 WeakPolarHBondContact O-CB 3.49Å; L336-S339 PolarHBondContact O-N 2.86Å; L336-S339 VanDerWaalsContact O-N 3.11Å; L336-L340 WeakPolarHBondContact O-CG 2.92Å; L336-L340 PolarHBondContact O-N 3.34Å; L336-L340 VanDerWaalsContact O-N 3.14Å; L336-L348 HydrophobicContact CD1-CD1 4.12Å; L336-L348 HydrophobicContact CD1-CD2 3.38Å; L336-L348 HydrophobicContact CD1-CG 4.45Å; L336-Y350 HydrophobicContact CD1-CD2 4.21Å; L336-Y350 HydrophobicContact CD1-CG 4.42Å; L336-Y350 HydrophobicContact CD2-CD2 4.49Å; L336-V363 HydrophobicContact CD2-CG1 4.07Å; L336-C367 HydrophobicContact CD2-CB 3.5Å; L336-C367 VanDerWaalsContact CD2-CB 3.5Å; L336-C367 HydrophobicContact CG-CB 4.07Å; L336-C367 VanDerWaalsContact CG-SG 3.5Å |
| 337 | N | 98 | Very high | 96.8 | Very high | 30 Ų | 30 | 45.5 Ų | 45.5 | 16% | 0.16 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57 | -43.4 | 174 | -79 | -32 | 0 | 0 | 0 | 112.5 | L333 S339 L340 C367 Q370 N371 | L333-N337 WeakPolarHBondContact O-CB 3.48Å; L333-N337 PolarHBondContact O-N 2.68Å; L333-N337 PolarHBondContact O-ND2 3.49Å; N337-S339 VanDerWaalsContact C-N 3.31Å; N337-S339 PolarHBondContact O-N 3.04Å; N337-L340 PolarHBondContact O-N 3.03Å; N337-C367 PolarHBondContact OD1-SG 2.96Å; N337-Q370 PolarHBondContact ND2-OE1 3Å; N337-N371 PolarHBondContact OD1-ND2 3.03Å |
| 338 | H | 98.1 | Very high | 97.1 | Very high | 15 Ų | 15 | 42.9 Ų | 42.9 | 7% | 0.069 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.8 | -42.1 | 177.1 | -178.6 | 79.2 | 0 | 0 | 0 | 111.7 | F280 L281 V283 R334 C335 L336 L340 R341 | F280-H338 AromaticContact CE1-CD2 3.58Å; F280-H338 AromaticContact CZ-CD2 3.7Å; F280-H338 PolarHBondContact O-NE2 3.1Å; L281-H338 HydrophobicContact CD2-CB 3.86Å; V283-H338 PolarHBondContact O-CE1 2.93Å; V283-H338 PolarHBondContact O-NE2 3.06Å; V283-H338 VanDerWaalsContact O-NE2 3.07Å; R334-H338 WeakPolarHBondContact O-CB 3.38Å; R334-H338 PolarHBondContact O-N 3.12Å; C335-H338 PolarHBondContact O-N 3.48Å; L336-H338 VanDerWaalsContact C-N 3.31Å; L336-H338 PolarHBondContact O-N 3.07Å; H338-L340 VanDerWaalsContact C-N 3.29Å; H338-L340 PolarHBondContact O-N 3.3Å; H338-R341 WeakPolarHBondContact O-CB 3.24Å; H338-R341 PolarHBondContact O-N 3.21Å |
| 339 | S | 97.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.1 | -34.6 | 178.4 | -54.9 | 0 | 0 | 0 | 0 | 112.6 | F280 I296 C335 L336 N337 R341 F342 L345 | F280-S339 WeakPolarHBondContact CE1-OG 3.49Å; F280-S339 WeakPolarHBondContact CZ-OG 3.43Å; I296-S339 WeakPolarHBondContact CD1-O 3.21Å; C335-S339 WeakPolarHBondContact O-CB 3.37Å; C335-S339 PolarHBondContact O-N 3.27Å; C335-S339 PolarHBondContact O-OG 2.89Å; L336-S339 WeakPolarHBondContact O-CB 3.49Å; L336-S339 PolarHBondContact O-N 2.86Å; L336-S339 VanDerWaalsContact O-N 3.11Å; N337-S339 VanDerWaalsContact C-N 3.31Å; N337-S339 PolarHBondContact O-N 3.04Å; S339-R341 PolarHBondContact O-N 2.85Å; S339-F342 VanDerWaalsContact O-CD2 3.31Å; S339-F342 WeakPolarHBondContact O-CD2 3.39Å; S339-F342 PolarHBondContact O-N 3.37Å; S339-L345 WeakPolarHBondContact O-CD2 3.45Å |
| 340 | L | 97.4 | Very high | 97.5 | Very high | 9 Ų | 9 | 40.8 Ų | 40.8 | 5% | 0.047 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -71.4 | -12.4 | -180 | -62.3 | -173.5 | 0 | 0 | 0 | 113.9 | L336 N337 H338 F342 L345 L348 C367 N371 F374 L412 | L336-L340 WeakPolarHBondContact O-CG 2.92Å; L336-L340 PolarHBondContact O-N 3.34Å; L336-L340 VanDerWaalsContact O-N 3.14Å; N337-L340 PolarHBondContact O-N 3.03Å; H338-L340 VanDerWaalsContact C-N 3.29Å; H338-L340 PolarHBondContact O-N 3.3Å; L340-F342 VanDerWaalsContact C-N 3.31Å; L340-F342 PolarHBondContact O-N 2.84Å; L340-L345 HydrophobicContact CD2-CD2 3.79Å; L340-L348 HydrophobicContact CD2-CB 4.4Å; L340-L348 HydrophobicContact CD2-CD1 4.05Å; L340-C367 WeakPolarHBondContact CD1-SG 3.17Å; L340-N371 HydrophobicContact CD1-CB 3.68Å; L340-F374 HydrophobicContact CB-CD2 4.33Å; L340-F374 HydrophobicContact CB-CE2 3.85Å; L340-F374 HydrophobicContact CB-CZ 4.13Å; L340-F374 HydrophobicContact CD1-CD2 3.95Å; L340-F374 HydrophobicContact CD1-CE2 4.31Å; L340-F374 HydrophobicContact CD1-CG 4.17Å; L340-F374 HydrophobicContact CD2-CD1 3.82Å; L340-F374 HydrophobicContact CD2-CD2 4.21Å; L340-F374 HydrophobicContact CD2-CE1 3.71Å; L340-F374 HydrophobicContact CD2-CE2 4.09Å; L340-F374 HydrophobicContact CD2-CG 4.07Å; L340-F374 HydrophobicContact CD2-CZ 3.84Å; L340-F374 HydrophobicContact CG-CD2 4.39Å; L340-F374 HydrophobicContact CG-CE2 4.29Å; L340-F374 HydrophobicContact CG-CZ 4.46Å; L340-L412 HydrophobicContact CD1-CD2 4.13Å; L340-L412 HydrophobicContact CD2-CD2 4.37Å |
| 341 | R | 96.8 | Very high | 97.6 | Very high | 150 Ų | 150 | 38 Ų | 38 | 57% | 0.566 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -13 | 178.4 | -66.7 | 173.5 | 58.9 | -171.2 | -7.1 | 114.1 | P285 H338 S339 | P285-R341 HydrophobicContact CB-CB 4.23Å; P285-R341 HydrophobicContact CG-CB 3.93Å; H338-R341 WeakPolarHBondContact O-CB 3.24Å; H338-R341 PolarHBondContact O-N 3.21Å; S339-R341 PolarHBondContact O-N 2.85Å |
| 342 | F | 97.2 | Very high | 97.5 | Very high | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.009 | 15% | 0.152 | C | C | . | . | trans | -64.9 | 126.4 | -179.1 | -78.2 | -99.8 | 0 | 0 | 0 | 110.7 | I225 F280 V283 P285 Y290 V293 I296 S339 L340 R344 L345 | I225-F342 HydrophobicContact CD1-CD1 3.92Å; I225-F342 HydrophobicContact CD1-CE1 3.29Å; I225-F342 HydrophobicContact CD1-CE2 4.24Å; I225-F342 HydrophobicContact CD1-CZ 3.48Å; I225-F342 VanDerWaalsContact CD1-CZ 3.48Å; F280-F342 HydrophobicContact CE2-CE2 4.2Å; F280-F342 HydrophobicContact CE2-CZ 4.27Å; F280-F342 HydrophobicContact CZ-CE2 4.06Å; V283-F342 HydrophobicContact CG1-CZ 4.16Å; P285-F342 HydrophobicContact CB-CD1 4.23Å; P285-F342 HydrophobicContact CB-CD2 4.08Å; P285-F342 HydrophobicContact CB-CE1 4.31Å; P285-F342 HydrophobicContact CB-CE2 4.19Å; P285-F342 HydrophobicContact CB-CG 4.12Å; P285-F342 HydrophobicContact CB-CZ 4.31Å; P285-F342 HydrophobicContact CG-CD2 4.35Å; P285-F342 HydrophobicContact CG-CE2 4.14Å; P285-F342 HydrophobicContact CG-CZ 4.43Å; Y290-F342 HydrophobicContact CD2-CE1 4.4Å; Y290-F342 HydrophobicContact CG-CE1 4.16Å; V293-F342 HydrophobicContact CB-CD1 4.32Å; V293-F342 HydrophobicContact CG1-CD1 4.46Å; I296-F342 HydrophobicContact CD1-CB 4.17Å; I296-F342 HydrophobicContact CD1-CD2 3.65Å; I296-F342 HydrophobicContact CD1-CE2 4.19Å; I296-F342 HydrophobicContact CD1-CG 3.9Å; S339-F342 VanDerWaalsContact O-CD2 3.31Å; S339-F342 WeakPolarHBondContact O-CD2 3.39Å; S339-F342 PolarHBondContact O-N 3.37Å; L340-F342 VanDerWaalsContact C-N 3.31Å; L340-F342 PolarHBondContact O-N 2.84Å; F342-R344 PolarHBondContact O-N 3.1Å; F342-L345 HydrophobicContact CB-CB 4.21Å; F342-L345 VanDerWaalsContact O-CB 3.26Å; F342-L345 WeakPolarHBondContact O-CB 3.4Å; F342-L345 PolarHBondContact O-N 3.34Å; F342-L345 VanDerWaalsContact O-N 3.13Å | ||
| 343 | P | 94.6 | Very high | 97.2 | Very high | 62 Ų | 62 | 36.9 Ų | 36.9 | 40% | 0.403 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -37.9 | -161.2 | 21.6 | -33.5 | 0 | 0 | 0 | 113.6 | P285 K414 | P285-P343 WeakPolarHBondContact O-CD 3.38Å; P343-K414 PolarHBondContact O-NZ 3.29Å |
| 344 | R | 96.3 | Very high | 96.7 | Very high | 150 Ų | 150 | 35.1 Ų | 35.1 | 57% | 0.566 | 15% | 0.151 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | 11.4 | -179.8 | -68.6 | -166.8 | 175.5 | -178.7 | -9.6 | 114 | K291 D292 V293 E294 F342 K346 | K291-R344 WeakPolarHBondContact O-CD 3.42Å; K291-R344 VanDerWaalsContact O-CG 3.3Å; K291-R344 WeakPolarHBondContact O-CG 3.3Å; D292-R344 IonicContact OD1-CZ 3.63Å; D292-R344 IonicContact OD1-NH1 2.68Å; D292-R344 PolarHBondContact OD1-NH1 3.19Å; V293-R344 CarbonylContact O-C 3.6Å; V293-R344 VanDerWaalsContact O-C 3.26Å; E294-R344 WeakPolarHBondContact CA-O 3.32Å; F342-R344 PolarHBondContact O-N 3.1Å; R344-K346 PolarHBondContact O-N 2.87Å |
| 345 | L | 97.8 | Very high | 96.3 | Very high | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.01 | 14% | 0.143 | C | C | . | . | trans | -58.1 | 124.9 | 179.3 | -175.5 | 66.4 | 0 | 0 | 0 | 110.9 | V293 I296 S339 L340 F342 R347 L348 F374 K414 | V293-L345 PolarHBondContact O-N 3.49Å; I296-L345 HydrophobicContact CB-CD1 4.11Å; I296-L345 HydrophobicContact CD1-CD1 3.78Å; I296-L345 HydrophobicContact CD1-CD2 4.4Å; I296-L345 HydrophobicContact CG1-CD1 3.59Å; S339-L345 WeakPolarHBondContact O-CD2 3.45Å; L340-L345 HydrophobicContact CD2-CD2 3.79Å; F342-L345 HydrophobicContact CB-CB 4.21Å; F342-L345 VanDerWaalsContact O-CB 3.26Å; F342-L345 WeakPolarHBondContact O-CB 3.4Å; F342-L345 PolarHBondContact O-N 3.34Å; F342-L345 VanDerWaalsContact O-N 3.13Å; L345-R347 WeakPolarHBondContact CD1-O 3.49Å; L345-L348 HydrophobicContact CD2-CB 4.27Å; L345-F374 HydrophobicContact CD2-CE1 3.81Å; L345-F374 HydrophobicContact CD2-CZ 3.88Å; L345-F374 HydrophobicContact CG-CE1 4.27Å; L345-F374 HydrophobicContact CG-CZ 4.48Å; L345-K414 VanDerWaalsContact O-CD 3.24Å; L345-K414 WeakPolarHBondContact O-CD 3.37Å | ||
| 346 | K | 97.4 | Very high | 95.9 | Very high | 99 Ų | 99 | 34.9 Ų | 34.9 | 43% | 0.43 | 16% | 0.157 | S | C | . | . | trans | -101.7 | -51.6 | 173.9 | -65.6 | 179 | 174.9 | 171.6 | 0 | 110.7 | E294 R344 E413 K414 | E294-K346 HydrophobicContact CB-CD 4.22Å; E294-K346 HydrophobicContact CB-CG 4.36Å; E294-K346 HydrophobicContact CG-CD 4.32Å; E294-K346 WeakPolarHBondContact O-CB 3.25Å; E294-K346 PolarHBondContact O-N 3.48Å; E294-K346 WeakPolarHBondContact OE1-CE 3.37Å; E294-K346 IonicContact OE1-NZ 2.62Å; E294-K346 PolarHBondContact OE1-NZ 3.07Å; R344-K346 PolarHBondContact O-N 2.87Å; K346-E413 WeakPolarHBondContact O-CA 3.5Å; K346-K414 PolarHBondContact O-N 3.34Å | ||
| 347 | R | 98.1 | Very high | 95.8 | Very high | 51 Ų | 51 | 36.9 Ų | 36.9 | 19% | 0.192 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 139.9 | -176.6 | -72.2 | -171 | -87.3 | 128.1 | -0.4 | 111.7 | L216 E294 Y295 I296 L345 L412 E413 | L216-R347 HydrophobicContact CD1-CB 4.12Å; L216-R347 PolarHBondContact O-NH1 3.49Å; E294-R347 PolarHBondContact O-N 3.15Å; Y295-R347 WeakPolarHBondContact CA-O 3.24Å; Y295-R347 HydrophobicContact CD1-CB 4.09Å; Y295-R347 HydrophobicContact CE1-CB 4.34Å; I296-R347 PolarHBondContact N-O 3.49Å; I296-R347 VanDerWaalsContact N-O 3.12Å; L345-R347 WeakPolarHBondContact CD1-O 3.49Å; R347-L412 CarbonylContact C-O 3.58Å; R347-L412 WeakPolarHBondContact CA-O 3.38Å; R347-E413 HydrophobicContact CG-CB 4.12Å; R347-E413 HydrophobicContact CG-CG 3.98Å |
| 348 | L | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 136.1 | 172.7 | 178.5 | 150.3 | 0 | 0 | 0 | 109.3 | I296 L336 L340 L345 M411 L412 | I296-L348 HydrophobicContact CB-CB 4.49Å; I296-L348 HydrophobicContact CB-CD1 4.03Å; I296-L348 HydrophobicContact CB-CG 4.21Å; I296-L348 HydrophobicContact CG2-CD1 3.98Å; I296-L348 HydrophobicContact CG2-CG 4.37Å; I296-L348 CarbonylContact O-C 3.45Å; I296-L348 VanDerWaalsContact O-CA 3.28Å; I296-L348 WeakPolarHBondContact O-CA 3.44Å; L336-L348 HydrophobicContact CD1-CD1 4.12Å; L336-L348 HydrophobicContact CD1-CD2 3.38Å; L336-L348 HydrophobicContact CD1-CG 4.45Å; L340-L348 HydrophobicContact CD2-CB 4.4Å; L340-L348 HydrophobicContact CD2-CD1 4.05Å; L345-L348 HydrophobicContact CD2-CB 4.27Å; L348-M411 CarbonylContact O-C 3.26Å; L348-M411 WeakPolarHBondContact O-CA 3.48Å; L348-L412 HydrophobicContact CD2-CD1 4.43Å; L348-L412 PolarHBondContact N-O 2.9Å; L348-L412 PolarHBondContact O-N 3.24Å |
| 349 | V | 98.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 122.1 | 167.9 | 176.1 | 0 | 0 | 0 | 0 | 109.5 | P212 L216 I296 L298 V409 A410 M411 | P212-V349 HydrophobicContact CB-CG1 3.78Å; L216-V349 HydrophobicContact CB-CB 4.39Å; L216-V349 HydrophobicContact CB-CG2 3.75Å; L216-V349 HydrophobicContact CD1-CG2 3.92Å; L216-V349 HydrophobicContact CG-CG2 4.39Å; I296-V349 PolarHBondContact O-N 3.27Å; L298-V349 PolarHBondContact N-O 3.02Å; V349-V409 HydrophobicContact CG1-CG1 3.57Å; V349-A410 CarbonylContact C-O 3.55Å; V349-A410 WeakPolarHBondContact CA-O 3.24Å; V349-M411 HydrophobicContact CG2-CB 4.09Å; V349-M411 HydrophobicContact CG2-CG 3.83Å; V349-M411 HydrophobicContact CG2-SD 4.06Å |
| 350 | Y | 98.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 132.6 | 171.7 | 175.1 | -103.9 | 0 | 0 | 0 | 109.3 | L298 P300 Q332 L336 T352 E359 V364 F408 V409 A410 | L298-Y350 HydrophobicContact CD2-CD2 4.01Å; L298-Y350 HydrophobicContact CG-CD2 4.08Å; L298-Y350 CarbonylContact O-C 3.59Å; L298-Y350 WeakPolarHBondContact O-CA 3.47Å; P300-Y350 HydrophobicContact CG-CE2 3.79Å; Q332-Y350 HydrophobicContact CB-CE2 4.39Å; Q332-Y350 PolarHBondContact OE1-OH 3.47Å; L336-Y350 HydrophobicContact CD1-CD2 4.21Å; L336-Y350 HydrophobicContact CD1-CG 4.42Å; L336-Y350 HydrophobicContact CD2-CD2 4.49Å; Y350-T352 HydrophobicContact CE1-CG2 3.66Å; Y350-T352 HydrophobicContact CE2-CG2 4.29Å; Y350-T352 VanDerWaalsContact CZ-CG2 3.46Å; Y350-T352 WeakPolarHBondContact OH-CG2 3.03Å; Y350-E359 PolarHBondContact OH-O 3.1Å; Y350-V364 HydrophobicContact CD1-CG2 3.91Å; Y350-V364 HydrophobicContact CE1-CG2 4.26Å; Y350-F408 HydrophobicContact CD1-CD1 4Å; Y350-F408 AromaticContact CD1-CE1 3.76Å; Y350-F408 HydrophobicContact CD1-CE1 3.76Å; Y350-F408 AromaticContact CE1-CD1 3.92Å; Y350-F408 HydrophobicContact CE1-CD1 3.92Å; Y350-F408 AromaticContact CE1-CE1 3.85Å; Y350-F408 HydrophobicContact CE1-CE1 3.85Å; Y350-V409 CarbonylContact O-C 3.47Å; Y350-V409 WeakPolarHBondContact O-CA 3.41Å; Y350-A410 PolarHBondContact N-O 3.32Å; Y350-A410 PolarHBondContact O-N 2.96Å |
| 351 | S | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 151 | 174.6 | 64.2 | 0 | 0 | 0 | 0 | 113.8 | P212 L298 D299 P300 F408 | P212-S351 WeakPolarHBondContact CG-OG 3.25Å; L298-S351 PolarHBondContact O-N 3.5Å; D299-S351 PolarHBondContact OD1-OG 3.03Å; P300-S351 WeakPolarHBondContact CD-O 3.44Å; S351-F408 CarbonylContact C-O 3.59Å; S351-F408 WeakPolarHBondContact CA-O 3.37Å; S351-F408 VanDerWaalsContact CB-O 3.28Å; S351-F408 WeakPolarHBondContact CB-O 3.5Å |
| 352 | T | 95.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 159 | 172 | 83.6 | 0 | 0 | 0 | 0 | 111.5 | Y350 S354 N360 F407 F408 | Y350-T352 HydrophobicContact CE1-CG2 3.66Å; Y350-T352 HydrophobicContact CE2-CG2 4.29Å; Y350-T352 VanDerWaalsContact CZ-CG2 3.46Å; Y350-T352 WeakPolarHBondContact OH-CG2 3.03Å; T352-S354 VanDerWaalsContact C-N 3.28Å; T352-S354 WeakPolarHBondContact OG1-CB 3.5Å; T352-S354 PolarHBondContact OG1-N 3.23Å; T352-S354 VanDerWaalsContact OG1-N 3.13Å; T352-N360 PolarHBondContact OG1-OD1 3.34Å; T352-F407 CarbonylContact O-C 3.26Å; T352-F407 WeakPolarHBondContact O-CA 3.43Å; T352-F407 WeakPolarHBondContact O-CD2 3.38Å; T352-F407 WeakPolarHBondContact O-CE2 3.38Å; T352-F407 WeakPolarHBondContact O-CG 3.38Å; T352-F408 PolarHBondContact N-O 3.37Å; T352-F408 PolarHBondContact O-N 2.94Å |
| 353 | C | 91.4 | Very high | 95.4 | Very high | 26 Ų | 26 | 36.4 Ų | 36.4 | 18% | 0.176 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -90.6 | 25.9 | 168.7 | 42.6 | 0 | 0 | 0 | 0 | 113.2 | C302 G304 G306 M307 F407 | C302-C353 WeakPolarHBondContact CB-SG 3.39Å; C302-C353 WeakPolarHBondContact SG-CA 3.42Å; C302-C353 WeakPolarHBondContact SG-CB 3.2Å; C302-C353 PolarHBondContact SG-N 2.95Å; C302-C353 VanDerWaalsContact SG-N 3.4Å; C302-C353 CovalentContact SG-SG 2.07Å; C302-C353 PolarHBondContact SG-SG 3.14Å; G304-C353 CarbonylContact C-O 3.59Å; G306-C353 WeakPolarHBondContact CA-O 3.45Å; G306-C353 PolarHBondContact N-O 3.18Å; M307-C353 HydrophobicContact CE-CB 4.45Å; M307-C353 HydrophobicContact CG-CB 4.48Å; C353-F407 HydrophobicContact CB-CD2 4.39Å; C353-F407 HydrophobicContact CB-CE2 4.38Å |
| 354 | S | 87.9 | Confident | 95.6 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.007 | 16% | 0.155 | C | C | . | . | trans | -111.1 | 148.4 | -173.7 | -173.8 | 0 | 0 | 0 | 0 | 112.9 | S303 S305 T352 H356 E359 N360 | S303-S354 PolarHBondContact OG-OG 3.42Å; S305-S354 WeakPolarHBondContact OG-CA 3.47Å; S305-S354 PolarHBondContact OG-OG 3.43Å; T352-S354 VanDerWaalsContact C-N 3.28Å; T352-S354 WeakPolarHBondContact OG1-CB 3.5Å; T352-S354 PolarHBondContact OG1-N 3.23Å; T352-S354 VanDerWaalsContact OG1-N 3.13Å; S354-H356 PolarHBondContact OG-N 2.95Å; S354-H356 VanDerWaalsContact OG-N 3.1Å; S354-E359 WeakPolarHBondContact CB-OE2 3.09Å; S354-E359 PolarHBondContact OG-OE2 3.44Å; S354-N360 PolarHBondContact O-ND2 3.34Å | ||
| 355 | I | 88.1 | Confident | 95.6 | Very high | 72 Ų | 72 | 27.9 Ų | 27.9 | 37% | 0.369 | 14% | 0.141 | S | C | . | . | trans | -94.7 | -10.8 | 169.7 | 62.2 | 168.8 | 0 | 0 | 0 | 113.1 | S305 R396 | S305-I355 PolarHBondContact OG-N 3.4Å; S305-I355 VanDerWaalsContact OG-N 3.07Å; I355-R396 PolarHBondContact O-NH1 2.99Å; I355-R396 PolarHBondContact O-NH2 3.21Å | ||
| 356 | H | 90.4 | Very high | 95.6 | Very high | 64 Ų | 64 | 29 Ų | 29 | 30% | 0.296 | 15% | 0.15 | S | C | . | . | trans | -79.6 | 131.9 | -174.8 | -60.8 | -68.5 | 0 | 0 | 0 | 111.4 | S305 L325 S354 Q358 E359 N360 | S305-H356 PolarHBondContact OG-CD2 3.05Å; L325-H356 HydrophobicContact CD1-CB 4.26Å; L325-H356 HydrophobicContact CD2-CB 4.18Å; S354-H356 PolarHBondContact OG-N 2.95Å; S354-H356 VanDerWaalsContact OG-N 3.1Å; H356-Q358 PolarHBondContact O-N 3.26Å; H356-E359 IonicContact CD2-OE2 3.79Å; H356-E359 PolarHBondContact O-N 2.81Å; H356-N360 WeakPolarHBondContact O-CB 3.21Å; H356-N360 VanDerWaalsContact O-CG 3.27Å; H356-N360 PolarHBondContact O-N 2.77Å; H356-N360 PolarHBondContact O-ND2 3.18Å | ||
| 357 | S | 94.6 | Very high | 95.6 | Very high | 41 Ų | 41 | 24.2 Ų | 24.2 | 29% | 0.287 | 13% | 0.13 | S | C | . | . | G | 310 helix | trans | -58.7 | -33.8 | 174.4 | 55.9 | 0 | 0 | 0 | 0 | 112.6 | E359 N360 E361 E362 | S357-E359 PolarHBondContact O-N 2.93Å; S357-N360 CarbonylContact O-C 3.52Å; S357-N360 PolarHBondContact O-N 3.41Å; S357-E361 PolarHBondContact O-N 2.98Å; S357-E362 WeakPolarHBondContact CB-OE1 3.31Å; S357-E362 WeakPolarHBondContact O-CB 3.48Å; S357-E362 PolarHBondContact O-N 2.99Å; S357-E362 VanDerWaalsContact O-N 3.07Å; S357-E362 PolarHBondContact OG-OE1 3.35Å |
| 358 | Q | 94.6 | Very high | 95.5 | Very high | 82 Ų | 82 | 23.5 Ų | 23.5 | 38% | 0.383 | 13% | 0.129 | S | C | . | . | G | 310 helix | trans | -57.4 | -30.8 | 179 | -68.8 | -177.3 | -13.3 | 0 | 0 | 113.8 | L325 A329 H356 E362 V363 | L325-Q358 HydrophobicContact CG-CB 4.43Å; L325-Q358 VanDerWaalsContact CG-OE1 3.31Å; A329-Q358 WeakPolarHBondContact CB-O 3.44Å; H356-Q358 PolarHBondContact O-N 3.26Å; Q358-E362 PolarHBondContact N-OE1 2.93Å; Q358-V363 WeakPolarHBondContact O-CG2 3.24Å |
| 359 | E | 94.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -95.9 | -7.7 | 176.4 | -67.6 | -178.2 | 97.9 | 0 | 0 | 112.4 | C302 S303 L325 Q332 Y350 S354 H356 S357 | C302-E359 WeakPolarHBondContact CA-OE1 3.21Å; S303-E359 WeakPolarHBondContact CB-OE2 3.5Å; S303-E359 PolarHBondContact N-OE1 2.98Å; S303-E359 PolarHBondContact OG-OE2 3.48Å; L325-E359 VanDerWaalsContact CD1-CD 3.42Å; L325-E359 HydrophobicContact CD1-CG 3.55Å; L325-E359 WeakPolarHBondContact CD1-OE2 3.25Å; Q332-E359 PolarHBondContact NE2-OE1 2.99Å; Q332-E359 VanDerWaalsContact OE1-CA 3.25Å; Q332-E359 PolarHBondContact OE1-O 2.97Å; Y350-E359 PolarHBondContact OH-O 3.1Å; S354-E359 WeakPolarHBondContact CB-OE2 3.09Å; S354-E359 PolarHBondContact OG-OE2 3.44Å; H356-E359 IonicContact CD2-OE2 3.79Å; H356-E359 PolarHBondContact O-N 2.81Å; S357-E359 PolarHBondContact O-N 2.93Å |
| 360 | N | 96.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.2 | -98.6 | -166.2 | -68.7 | -14.8 | 0 | 0 | 0 | 110.3 | T352 S354 H356 S357 E362 V363 V364 R396 F408 | T352-N360 PolarHBondContact OG1-OD1 3.34Å; S354-N360 PolarHBondContact O-ND2 3.34Å; H356-N360 WeakPolarHBondContact O-CB 3.21Å; H356-N360 VanDerWaalsContact O-CG 3.27Å; H356-N360 PolarHBondContact O-N 2.77Å; H356-N360 PolarHBondContact O-ND2 3.18Å; S357-N360 CarbonylContact O-C 3.52Å; S357-N360 PolarHBondContact O-N 3.41Å; N360-E362 VanDerWaalsContact C-N 3.3Å; N360-E362 PolarHBondContact O-N 3.3Å; N360-V363 PolarHBondContact O-N 2.7Å; N360-V364 WeakPolarHBondContact O-CG2 3.3Å; N360-V364 PolarHBondContact O-N 3.03Å; N360-V364 VanDerWaalsContact O-N 3.1Å; N360-R396 PolarHBondContact ND2-NH2 2.93Å; N360-F408 HydrophobicContact CB-CB 4.24Å; N360-F408 HydrophobicContact CB-CD1 3.72Å; N360-F408 HydrophobicContact CB-CD2 3.78Å; N360-F408 HydrophobicContact CB-CE1 3.91Å; N360-F408 HydrophobicContact CB-CE2 3.96Å; N360-F408 HydrophobicContact CB-CG 3.65Å; N360-F408 HydrophobicContact CB-CZ 4.03Å; N360-F408 VanDerWaalsContact CG-CB 3.47Å; N360-F408 VanDerWaalsContact CG-CG 3.44Å; N360-F408 WeakPolarHBondContact ND2-CB 3.44Å; N360-F408 WeakPolarHBondContact OD1-CB 3.44Å |
| 361 | E | 97.5 | Very high | 95.2 | Very high | 13 Ų | 13 | 38.2 Ų | 38.2 | 6% | 0.061 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.2 | -38.6 | -176.1 | -69.4 | 83.9 | 176.4 | 0 | 0 | 112.6 | S357 V364 A365 G387 L388 L391 R396 F408 | S357-E361 PolarHBondContact O-N 2.98Å; E361-V364 PolarHBondContact O-N 3.41Å; E361-A365 VanDerWaalsContact O-CB 3.26Å; E361-A365 WeakPolarHBondContact O-CB 2.83Å; E361-A365 PolarHBondContact O-N 3.4Å; E361-G387 WeakPolarHBondContact OE1-CA 3.23Å; E361-L388 HydrophobicContact CG-CB 4.17Å; E361-L388 PolarHBondContact OE1-N 2.87Å; E361-L391 HydrophobicContact CB-CD1 3.94Å; E361-L391 HydrophobicContact CG-CB 4.15Å; E361-L391 HydrophobicContact CG-CD1 4.29Å; E361-L391 VanDerWaalsContact O-CD1 3.31Å; E361-L391 WeakPolarHBondContact O-CD1 3.25Å; E361-R396 IonicContact OE1-CZ 2.77Å; E361-R396 IonicContact OE1-NE 3.31Å; E361-R396 PolarHBondContact OE1-NE 3.03Å; E361-R396 IonicContact OE1-NH2 3.74Å; E361-R396 PolarHBondContact OE1-NH2 3.47Å; E361-R396 IonicContact OE2-CZ 3.49Å; E361-R396 IonicContact OE2-NE 3.96Å; E361-R396 IonicContact OE2-NH2 3.13Å; E361-R396 PolarHBondContact OE2-NH2 3.29Å; E361-F408 HydrophobicContact CG-CE2 4.15Å; E361-F408 HydrophobicContact CG-CZ 4.45Å |
| 362 | E | 97.3 | Very high | 95 | Very high | 96 Ų | 96 | 43.1 Ų | 43.1 | 45% | 0.449 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -67.6 | -40.4 | -178.2 | -67.1 | 171.8 | -132.4 | 0 | 0 | 111.5 | S357 Q358 N360 A365 A366 | S357-E362 WeakPolarHBondContact CB-OE1 3.31Å; S357-E362 WeakPolarHBondContact O-CB 3.48Å; S357-E362 PolarHBondContact O-N 2.99Å; S357-E362 VanDerWaalsContact O-N 3.07Å; S357-E362 PolarHBondContact OG-OE1 3.35Å; Q358-E362 PolarHBondContact N-OE1 2.93Å; N360-E362 VanDerWaalsContact C-N 3.3Å; N360-E362 PolarHBondContact O-N 3.3Å; E362-A365 PolarHBondContact O-N 2.91Å; E362-A366 VanDerWaalsContact O-CB 3.3Å; E362-A366 WeakPolarHBondContact O-CB 3.46Å; E362-A366 PolarHBondContact O-N 3.26Å |
| 363 | V | 98 | Very high | 95 | Very high | 6 Ų | 6 | 48 Ų | 48 | 4% | 0.036 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.1 | -46 | 174.3 | 173.2 | 0 | 0 | 0 | 0 | 110.6 | A329 Q332 L333 L336 Q358 N360 A366 C367 | A329-V363 HydrophobicContact CB-CG2 4.23Å; Q332-V363 HydrophobicContact CB-CG1 4.23Å; Q332-V363 HydrophobicContact CB-CG2 4.32Å; L333-V363 HydrophobicContact CB-CG1 4.17Å; L333-V363 HydrophobicContact CD1-CG1 4.43Å; L336-V363 HydrophobicContact CD2-CG1 4.07Å; Q358-V363 WeakPolarHBondContact O-CG2 3.24Å; N360-V363 PolarHBondContact O-N 2.7Å; V363-A366 PolarHBondContact O-N 3.39Å; V363-C367 VanDerWaalsContact O-CB 3.29Å; V363-C367 WeakPolarHBondContact O-CB 3.42Å; V363-C367 PolarHBondContact O-N 3.41Å |
| 364 | V | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65 | -44.4 | 179.9 | 172.9 | 0 | 0 | 0 | 0 | 111 | Y350 N360 E361 C367 L368 L376 L391 F408 A410 | Y350-V364 HydrophobicContact CD1-CG2 3.91Å; Y350-V364 HydrophobicContact CE1-CG2 4.26Å; N360-V364 WeakPolarHBondContact O-CG2 3.3Å; N360-V364 PolarHBondContact O-N 3.03Å; N360-V364 VanDerWaalsContact O-N 3.1Å; E361-V364 PolarHBondContact O-N 3.41Å; V364-C367 PolarHBondContact O-N 3.09Å; V364-L368 HydrophobicContact CG1-CD1 3.84Å; V364-L368 HydrophobicContact CG1-CG 4.45Å; V364-L368 VanDerWaalsContact O-CG 3.32Å; V364-L368 WeakPolarHBondContact O-CG 3.21Å; V364-L368 PolarHBondContact O-N 3.47Å; V364-L376 HydrophobicContact CG1-CD1 3.96Å; V364-L376 HydrophobicContact CG1-CD2 3.87Å; V364-L376 HydrophobicContact CG1-CG 4.28Å; V364-L391 HydrophobicContact CB-CD1 4.06Å; V364-L391 HydrophobicContact CG1-CD1 3.92Å; V364-F408 HydrophobicContact CG2-CE1 3.89Å; V364-F408 HydrophobicContact CG2-CZ 4.13Å; V364-A410 HydrophobicContact CG1-CB 4.44Å; V364-A410 HydrophobicContact CG2-CB 3.84Å |
| 365 | A | 97.3 | Very high | 95.6 | Very high | 33 Ų | 33 | 54 Ų | 54 | 27% | 0.273 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.7 | -48.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | E361 E362 C367 L368 Q369 L391 | E361-A365 VanDerWaalsContact O-CB 3.26Å; E361-A365 WeakPolarHBondContact O-CB 2.83Å; E361-A365 PolarHBondContact O-N 3.4Å; E362-A365 PolarHBondContact O-N 2.91Å; A365-C367 VanDerWaalsContact C-N 3.29Å; A365-C367 PolarHBondContact O-N 3.41Å; A365-L368 PolarHBondContact O-N 3.16Å; A365-Q369 WeakPolarHBondContact O-CG 3.37Å; A365-Q369 PolarHBondContact O-N 2.93Å; A365-L391 HydrophobicContact CB-CD1 4.23Å |
| 366 | A | 97.3 | Very high | 96 | Very high | 24 Ų | 24 | 51.3 Ų | 51.3 | 20% | 0.198 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.1 | -38.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | L333 E362 V363 Q370 | L333-A366 HydrophobicContact CD1-CB 4Å; L333-A366 HydrophobicContact CD2-CB 4.03Å; E362-A366 VanDerWaalsContact O-CB 3.3Å; E362-A366 WeakPolarHBondContact O-CB 3.46Å; E362-A366 PolarHBondContact O-N 3.26Å; V363-A366 PolarHBondContact O-N 3.39Å; A366-Q370 WeakPolarHBondContact O-CG 3.11Å; A366-Q370 PolarHBondContact O-N 3.46Å |
| 367 | C | 97.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.1 | -45 | 176.5 | -176.7 | 0 | 0 | 0 | 0 | 112.5 | L333 L336 N337 L340 V363 V364 A365 Q369 Q370 N371 | L333-C367 HydrophobicContact CD1-CB 3.89Å; L336-C367 HydrophobicContact CD2-CB 3.5Å; L336-C367 VanDerWaalsContact CD2-CB 3.5Å; L336-C367 HydrophobicContact CG-CB 4.07Å; L336-C367 VanDerWaalsContact CG-SG 3.5Å; N337-C367 PolarHBondContact OD1-SG 2.96Å; L340-C367 WeakPolarHBondContact CD1-SG 3.17Å; V363-C367 VanDerWaalsContact O-CB 3.29Å; V363-C367 WeakPolarHBondContact O-CB 3.42Å; V363-C367 PolarHBondContact O-N 3.41Å; V364-C367 PolarHBondContact O-N 3.09Å; A365-C367 VanDerWaalsContact C-N 3.29Å; A365-C367 PolarHBondContact O-N 3.41Å; C367-Q369 VanDerWaalsContact C-N 3.3Å; C367-Q369 PolarHBondContact O-N 3.36Å; C367-Q370 PolarHBondContact O-N 2.87Å; C367-Q370 VanDerWaalsContact O-N 3.12Å; C367-N371 PolarHBondContact O-N 3.38Å; C367-N371 PolarHBondContact O-ND2 3.01Å |
| 368 | L | 96.3 | Very high | 96.1 | Very high | 35 Ų | 35 | 51.8 Ų | 51.8 | 18% | 0.183 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.4 | -34.1 | -179.8 | -69.4 | 165.1 | 0 | 0 | 0 | 112 | V364 A365 Q370 N371 F374 L376 L412 | V364-L368 HydrophobicContact CG1-CD1 3.84Å; V364-L368 HydrophobicContact CG1-CG 4.45Å; V364-L368 VanDerWaalsContact O-CG 3.32Å; V364-L368 WeakPolarHBondContact O-CG 3.21Å; V364-L368 PolarHBondContact O-N 3.47Å; A365-L368 PolarHBondContact O-N 3.16Å; L368-Q370 PolarHBondContact O-N 2.89Å; L368-N371 CarbonylContact O-C 3.52Å; L368-N371 PolarHBondContact O-N 3.48Å; L368-F374 HydrophobicContact CD2-CB 4.42Å; L368-L376 HydrophobicContact CD1-CD1 3.64Å; L368-L376 HydrophobicContact CD1-CD2 4.49Å; L368-L376 HydrophobicContact CD1-CG 3.65Å; L368-L412 HydrophobicContact CD2-CD2 3.84Å; L368-L412 HydrophobicContact CD2-CG 4.24Å; L368-L412 HydrophobicContact CG-CD2 4.46Å |
| 369 | Q | 96 | Very high | 95.9 | Very high | 164 Ų | 164 | 48.3 Ų | 48.3 | 77% | 0.766 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -61.4 | -34.5 | 172.5 | -72.9 | 173.1 | 1.7 | 0 | 0 | 112.3 | A365 C367 | A365-Q369 WeakPolarHBondContact O-CG 3.37Å; A365-Q369 PolarHBondContact O-N 2.93Å; C367-Q369 VanDerWaalsContact C-N 3.3Å; C367-Q369 PolarHBondContact O-N 3.36Å |
| 370 | Q | 96.4 | Very high | 95.6 | Very high | 113 Ų | 113 | 49.5 Ų | 49.5 | 53% | 0.528 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -86 | -17 | -179.9 | -66.8 | 174.1 | 21.7 | 0 | 0 | 113.3 | N337 A366 C367 L368 | N337-Q370 PolarHBondContact ND2-OE1 3Å; A366-Q370 WeakPolarHBondContact O-CG 3.11Å; A366-Q370 PolarHBondContact O-N 3.46Å; C367-Q370 PolarHBondContact O-N 2.87Å; C367-Q370 VanDerWaalsContact O-N 3.12Å; L368-Q370 PolarHBondContact O-N 2.89Å |
| 371 | N | 96.1 | Very high | 95.3 | Very high | 32 Ų | 32 | 54 Ų | 54 | 17% | 0.171 | 30% | 0.297 | C | S | . | . | trans | -133.1 | 76.5 | -173.3 | -58.4 | -93.1 | 0 | 0 | 0 | 110.4 | N337 L340 C367 L368 D373 F374 | N337-N371 PolarHBondContact OD1-ND2 3.03Å; L340-N371 HydrophobicContact CD1-CB 3.68Å; C367-N371 PolarHBondContact O-N 3.38Å; C367-N371 PolarHBondContact O-ND2 3.01Å; L368-N371 CarbonylContact O-C 3.52Å; L368-N371 PolarHBondContact O-N 3.48Å; N371-D373 PolarHBondContact O-N 3.03Å; N371-D373 VanDerWaalsContact O-N 3.15Å; N371-F374 HydrophobicContact CB-CD2 4.12Å; N371-F374 PolarHBondContact O-N 3.3Å; N371-F374 VanDerWaalsContact O-N 3.14Å | ||
| 372 | P | 94.1 | Very high | 94.9 | Very high | 103 Ų | 103 | 58.8 Ų | 58.8 | 67% | 0.669 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -17.4 | -174.9 | 28.2 | -36.1 | 0 | 0 | 0 | 113.7 | F374 | P372-F374 PolarHBondContact O-N 2.9Š|
| 373 | D | 95.3 | Very high | 94.7 | Very high | 104 Ų | 104 | 54.4 Ų | 54.4 | 56% | 0.556 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -2.7 | 176.1 | -62.7 | -17.5 | 0 | 0 | 0 | 113.1 | N371 K414 V415 | N371-D373 PolarHBondContact O-N 3.03Å; N371-D373 VanDerWaalsContact O-N 3.15Å; D373-K414 CarbonylContact O-C 3.57Å; D373-K414 WeakPolarHBondContact O-CA 3.45Å; D373-V415 PolarHBondContact O-N 2.94Å |
| 374 | F | 96.7 | Very high | 94.3 | Very high | 16 Ų | 16 | 57.5 Ų | 57.5 | 7% | 0.07 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 146.2 | 179.3 | -70.3 | -93.2 | 0 | 0 | 0 | 111.3 | L340 L345 L368 N371 P372 L412 E413 K414 | L340-F374 HydrophobicContact CB-CD2 4.33Å; L340-F374 HydrophobicContact CB-CE2 3.85Å; L340-F374 HydrophobicContact CB-CZ 4.13Å; L340-F374 HydrophobicContact CD1-CD2 3.95Å; L340-F374 HydrophobicContact CD1-CE2 4.31Å; L340-F374 HydrophobicContact CD1-CG 4.17Å; L340-F374 HydrophobicContact CD2-CD1 3.82Å; L340-F374 HydrophobicContact CD2-CD2 4.21Å; L340-F374 HydrophobicContact CD2-CE1 3.71Å; L340-F374 HydrophobicContact CD2-CE2 4.09Å; L340-F374 HydrophobicContact CD2-CG 4.07Å; L340-F374 HydrophobicContact CD2-CZ 3.84Å; L340-F374 HydrophobicContact CG-CD2 4.39Å; L340-F374 HydrophobicContact CG-CE2 4.29Å; L340-F374 HydrophobicContact CG-CZ 4.46Å; L345-F374 HydrophobicContact CD2-CE1 3.81Å; L345-F374 HydrophobicContact CD2-CZ 3.88Å; L345-F374 HydrophobicContact CG-CE1 4.27Å; L345-F374 HydrophobicContact CG-CZ 4.48Å; L368-F374 HydrophobicContact CD2-CB 4.42Å; N371-F374 HydrophobicContact CB-CD2 4.12Å; N371-F374 PolarHBondContact O-N 3.3Å; N371-F374 VanDerWaalsContact O-N 3.14Å; P372-F374 PolarHBondContact O-N 2.9Å; F374-L412 HydrophobicContact CB-CD2 4.49Å; F374-L412 HydrophobicContact CD1-CB 4.44Å; F374-E413 WeakPolarHBondContact CA-O 3.37Å; F374-K414 HydrophobicContact CD1-CB 4.06Å; F374-K414 HydrophobicContact CE1-CB 3.63Å; F374-K414 HydrophobicContact CE1-CG 4.13Å; F374-K414 HydrophobicContact CZ-CB 4.08Å; F374-K414 HydrophobicContact CZ-CD 4.15Å; F374-K414 HydrophobicContact CZ-CG 4.08Å |
| 375 | R | 96.3 | Very high | 94.1 | Very high | 137 Ų | 137 | 58.8 Ų | 58.8 | 52% | 0.517 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 155.4 | 174.5 | 65.8 | 177.3 | -177.6 | -175.8 | 1.5 | 110.8 | L412 E413 V415 | R375-L412 WeakPolarHBondContact O-CA 3.32Å; R375-E413 IonicContact CZ-OE2 3.49Å; R375-E413 PolarHBondContact N-O 3.33Å; R375-E413 IonicContact NE-OE2 2.68Å; R375-E413 PolarHBondContact NE-OE2 2.88Å; R375-E413 IonicContact NH2-OE2 3.41Å; R375-E413 PolarHBondContact NH2-OE2 2.95Å; R375-E413 PolarHBondContact O-N 3.07Å; R375-V415 HydrophobicContact CB-CG2 4Å; R375-V415 HydrophobicContact CG-CG2 3.89Å |
| 376 | L | 96.1 | Very high | 94 | Very high | 15 Ų | 15 | 60.8 Ų | 60.8 | 8% | 0.079 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 139.6 | 168.5 | -78.8 | 170.8 | 0 | 0 | 0 | 111 | V364 L368 L391 Q393 A410 M411 L412 | V364-L376 HydrophobicContact CG1-CD1 3.96Å; V364-L376 HydrophobicContact CG1-CD2 3.87Å; V364-L376 HydrophobicContact CG1-CG 4.28Å; L368-L376 HydrophobicContact CD1-CD1 3.64Å; L368-L376 HydrophobicContact CD1-CD2 4.49Å; L368-L376 HydrophobicContact CD1-CG 3.65Å; L376-L391 HydrophobicContact CD1-CD1 4.45Å; L376-L391 HydrophobicContact CD1-CD2 3.68Å; L376-L391 HydrophobicContact CD1-CG 4.46Å; L376-Q393 HydrophobicContact CB-CB 4.36Å; L376-A410 HydrophobicContact CD2-CB 4.07Å; L376-M411 WeakPolarHBondContact CA-O 3.37Å; L376-L412 HydrophobicContact CD2-CD1 3.94Å; L376-L412 HydrophobicContact CD2-CG 4.23Å |
| 377 | V | 94.6 | Very high | 93.8 | Very high | 26 Ų | 26 | 60 Ų | 60 | 16% | 0.158 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -101.2 | 130.2 | 174.9 | -177.9 | 0 | 0 | 0 | 0 | 108.8 | L379 M411 E413 | V377-L379 WeakPolarHBondContact O-CG 3.46Å; V377-L379 PolarHBondContact O-N 3.5Å; V377-M411 HydrophobicContact CB-CE 3.49Å; V377-M411 VanDerWaalsContact CB-CE 3.49Å; V377-M411 HydrophobicContact CG1-CE 3.4Å; V377-M411 HydrophobicContact CG2-CE 3.88Å; V377-M411 PolarHBondContact N-O 3.43Å; V377-E413 HydrophobicContact CG2-CB 3.48Å; V377-E413 VanDerWaalsContact CG2-CB 3.48Å; V377-E413 HydrophobicContact CG2-CG 4.49Å |
| 378 | P | 92.2 | Very high | 93.6 | Very high | 89 Ų | 89 | 64 Ų | 64 | 58% | 0.578 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 120.7 | 170.4 | -22.1 | 33 | 0 | 0 | 0 | 110.8 | Q393 | P378-Q393 HydrophobicContact CG-CG 4.31Š|
| 379 | L | 90.1 | Very high | 93.3 | Very high | 8 Ų | 8 | 69.5 Ų | 69.5 | 4% | 0.042 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -99.7 | 145.3 | -177.5 | -63.2 | 170.9 | 0 | 0 | 0 | 111.7 | L215 V377 A381 R386 Q393 L395 V409 M411 | L215-L379 HydrophobicContact CB-CD2 4.4Å; L215-L379 HydrophobicContact CD1-CD1 4.07Å; L215-L379 HydrophobicContact CD1-CD2 4.29Å; L215-L379 HydrophobicContact CD2-CD2 4.26Å; V377-L379 WeakPolarHBondContact O-CG 3.46Å; V377-L379 PolarHBondContact O-N 3.5Å; L379-A381 PolarHBondContact O-N 3.41Å; L379-R386 PolarHBondContact O-NH1 3.19Å; L379-R386 PolarHBondContact O-NH2 3.07Å; L379-Q393 PolarHBondContact N-O 3.32Å; L379-L395 HydrophobicContact CB-CD1 3.86Å; L379-L395 HydrophobicContact CB-CD2 4.09Å; L379-L395 HydrophobicContact CB-CG 3.82Å; L379-L395 HydrophobicContact CD1-CD1 4.45Å; L379-L395 HydrophobicContact CD1-CG 4.26Å; L379-V409 HydrophobicContact CD1-CG1 4.33Å; L379-M411 HydrophobicContact CD1-CB 3.9Å; L379-M411 HydrophobicContact CD2-CB 3.66Å; L379-M411 HydrophobicContact CD2-CE 3.61Å; L379-M411 HydrophobicContact CD2-CG 4.43Å; L379-M411 HydrophobicContact CD2-SD 4.04Å; L379-M411 HydrophobicContact CG-CB 4.14Å |
| 380 | L | 88.9 | Confident | 93 | Very high | 26 Ų | 26 | 67 Ų | 67 | 14% | 0.136 | 36% | 0.363 | C | S | . | . | trans | 33.1 | 77.2 | 160.5 | -161.1 | 68.9 | 0 | 0 | 0 | 113.9 | H178 L211 L215 Q382 W383 L395 | H178-L380 HydrophobicContact CB-CD2 4.42Å; L211-L380 HydrophobicContact CD2-CD2 3.84Å; L215-L380 HydrophobicContact CD2-CB 4.24Å; L380-Q382 VanDerWaalsContact CD1-CD 3.4Å; L380-Q382 HydrophobicContact CD1-CG 4.25Å; L380-Q382 HydrophobicContact CG-CG 4.2Å; L380-Q382 PolarHBondContact O-N 2.67Å; L380-Q382 VanDerWaalsContact O-N 3.14Å; L380-W383 HydrophobicContact CB-CB 4.2Å; L380-W383 HydrophobicContact CD2-CB 3.9Å; L380-W383 HydrophobicContact CD2-CD2 4.33Å; L380-W383 HydrophobicContact CD2-CE3 3.79Å; L380-W383 HydrophobicContact CD2-CG 4.4Å; L380-W383 HydrophobicContact CG-CB 4.04Å; L380-W383 VanDerWaalsContact O-CB 3.24Å; L380-W383 WeakPolarHBondContact O-CB 3.35Å; L380-W383 PolarHBondContact O-N 3.19Å; L380-L395 HydrophobicContact CB-CD1 4.02Å; L380-L395 HydrophobicContact CD2-CD1 4.47Å | ||
| 381 | A | 89.1 | Confident | 92.8 | Very high | 93 Ų | 93 | 62.5 Ų | 62.5 | 77% | 0.769 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -32 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | L379 W383 | L379-A381 PolarHBondContact O-N 3.41Å; A381-W383 PolarHBondContact O-N 3.43Å |
| 382 | Q | 89.6 | Confident | 92.6 | Very high | 115 Ų | 115 | 63 Ų | 63 | 54% | 0.537 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -11.2 | 177.6 | 66.4 | -88.9 | 44.9 | 0 | 0 | 114.2 | L380 | L380-Q382 VanDerWaalsContact CD1-CD 3.4Å; L380-Q382 HydrophobicContact CD1-CG 4.25Å; L380-Q382 HydrophobicContact CG-CG 4.2Å; L380-Q382 PolarHBondContact O-N 2.67Å; L380-Q382 VanDerWaalsContact O-N 3.14Å |
| 383 | W | 93.1 | Very high | 92.6 | Very high | 4 Ų | 4 | 61.8 Ų | 61.8 | 2% | 0.015 | 33% | 0.334 | C | S | . | . | trans | -74 | 125.3 | 179.7 | -171.9 | -91 | 0 | 0 | 0 | 110.8 | H178 L211 L380 A381 E385 L395 R396 A397 T402 | H178-W383 HydrophobicContact CB-CE3 4.38Å; H178-W383 HydrophobicContact CB-CZ3 4.42Å; H178-W383 AromaticContact CE1-CE3 3.76Å; H178-W383 AromaticContact CG-CE3 3.91Å; H178-W383 AromaticContact ND1-CE3 3.25Å; H178-W383 VanDerWaalsContact ND1-CE3 3.25Å; H178-W383 AromaticContact ND1-CZ3 3.32Å; H178-W383 VanDerWaalsContact ND1-CZ3 3.32Å; H178-W383 WeakPolarHBondContact ND1-CZ3 3.23Å; L211-W383 HydrophobicContact CD1-CD2 4.47Å; L211-W383 HydrophobicContact CD1-CE3 4.33Å; L211-W383 HydrophobicContact CD1-CH2 3.76Å; L211-W383 HydrophobicContact CD1-CZ2 3.89Å; L211-W383 HydrophobicContact CD1-CZ3 3.96Å; L211-W383 HydrophobicContact CD2-CE3 4.14Å; L211-W383 HydrophobicContact CD2-CZ3 3.96Å; L211-W383 HydrophobicContact CG-CH2 4.49Å; L211-W383 HydrophobicContact CG-CZ3 4.36Å; L380-W383 HydrophobicContact CB-CB 4.2Å; L380-W383 HydrophobicContact CD2-CB 3.9Å; L380-W383 HydrophobicContact CD2-CD2 4.33Å; L380-W383 HydrophobicContact CD2-CE3 3.79Å; L380-W383 HydrophobicContact CD2-CG 4.4Å; L380-W383 HydrophobicContact CG-CB 4.04Å; L380-W383 VanDerWaalsContact O-CB 3.24Å; L380-W383 WeakPolarHBondContact O-CB 3.35Å; L380-W383 PolarHBondContact O-N 3.19Å; A381-W383 PolarHBondContact O-N 3.43Å; W383-E385 VanDerWaalsContact C-N 3.35Å; W383-E385 PolarHBondContact NE1-O 3.29Å; W383-E385 PolarHBondContact O-N 3.31Å; W383-L395 HydrophobicContact CB-CD1 4.46Å; W383-L395 HydrophobicContact CB-CD2 4.08Å; W383-L395 HydrophobicContact CG-CD1 4.29Å; W383-L395 HydrophobicContact CG-CD2 4.19Å; W383-R396 PolarHBondContact NE1-O 3.35Å; W383-A397 HydrophobicContact CZ2-CB 3.87Å; W383-T402 HydrophobicContact CH2-CG2 4.25Å; W383-T402 HydrophobicContact CZ2-CG2 3.4Å | ||
| 384 | P | 90.1 | Very high | 92.6 | Very high | 71 Ų | 71 | 56.9 Ų | 56.9 | 46% | 0.461 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -77.3 | -17.2 | -163.5 | 30.2 | -37 | 0 | 0 | 0 | 114.4 | L163 T402 | L163-P384 HydrophobicContact CD2-CG 4.49Å; P384-T402 HydrophobicContact CG-CG2 3.88Å |
| 385 | E | 93.4 | Very high | 92.7 | Very high | 26 Ų | 26 | 56.1 Ų | 56.1 | 12% | 0.121 | 31% | 0.305 | C | S | . | . | trans | -120.8 | 115.8 | -173.9 | -176.3 | 162.6 | -140.2 | 0 | 0 | 112.3 | W383 R396 S398 K401 T402 | W383-E385 VanDerWaalsContact C-N 3.35Å; W383-E385 PolarHBondContact NE1-O 3.29Å; W383-E385 PolarHBondContact O-N 3.31Å; E385-R396 WeakPolarHBondContact CB-O 3.4Å; E385-R396 HydrophobicContact CG-CB 3.78Å; E385-R396 PolarHBondContact O-N 3.27Å; E385-S398 WeakPolarHBondContact OE2-CB 3.42Å; E385-S398 PolarHBondContact OE2-N 3.12Å; E385-S398 PolarHBondContact OE2-OG 3.12Å; E385-K401 HydrophobicContact CB-CB 4.42Å; E385-K401 HydrophobicContact CB-CD 4.3Å; E385-K401 HydrophobicContact CG-CD 4.19Å; E385-K401 WeakPolarHBondContact OE1-CD 3.44Å; E385-K401 IonicContact OE1-NZ 2.67Å; E385-K401 PolarHBondContact OE1-NZ 2.94Å; E385-K401 VanDerWaalsContact OE1-NZ 3.14Å; E385-T402 HydrophobicContact CB-CG2 3.99Å | ||
| 386 | R | 95.8 | Very high | 92.7 | Very high | 75 Ų | 75 | 51 Ų | 51 | 28% | 0.283 | 29% | 0.286 | S | S | . | . | B | Isolated β-bridge | trans | -96.9 | 164.4 | -175.1 | -53.5 | -53.5 | -62.3 | -155.5 | 3.4 | 112 | L379 S392 Q393 | L379-R386 PolarHBondContact O-NH1 3.19Å; L379-R386 PolarHBondContact O-NH2 3.07Å; R386-S392 PolarHBondContact NE-O 2.68Å; R386-S392 PolarHBondContact NH2-O 3.49Å; R386-Q393 PolarHBondContact NH2-O 2.96Å |
| 387 | G | 92.9 | Very high | 92.6 | Very high | 7 Ų | 7 | 50.6 Ų | 50.6 | 7% | 0.072 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -58.9 | 160.4 | 166.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | E361 C394 | E361-G387 WeakPolarHBondContact OE1-CA 3.23Å; G387-C394 PolarHBondContact N-O 2.88Å |
| 388 | L | 93.1 | Very high | 92.3 | Very high | 85 Ų | 85 | 50.2 Ų | 50.2 | 45% | 0.445 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 145.2 | 176.5 | -58.4 | 176.2 | 0 | 0 | 0 | 110.5 | E361 L391 | E361-L388 HydrophobicContact CG-CB 4.17Å; E361-L388 PolarHBondContact OE1-N 2.87Å; L388-L391 CarbonylContact O-C 3.45Å; L388-L391 WeakPolarHBondContact O-CA 3.28Å; L388-L391 PolarHBondContact O-N 3.2Å |
| 389 | E | 89.5 | Confident | 92 | Very high | 150 Ų | 150 | 46.6 Ų | 46.6 | 70% | 0.701 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | 138.2 | 174.5 | -71.2 | -62 | 153.1 | 0 | 0 | 110.8 | S392 | E389-S392 WeakPolarHBondContact OE1-CB 3.49Š|
| 390 | P | 89.4 | Confident | 91.6 | Very high | 111 Ų | 111 | 51.6 Ų | 51.6 | 72% | 0.721 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -87.1 | 4.9 | 7.6 | 35.2 | -36.6 | 0 | 0 | 0 | 115.3 | S392 | P390-S392 PolarHBondContact O-N 2.95Š|
| 391 | L | 92.7 | Very high | 91.5 | Very high | 19 Ų | 19 | 56 Ų | 56 | 10% | 0.099 | 31% | 0.309 | C | S | . | . | trans | -98.6 | 46.7 | -172 | -58.1 | -173.1 | 0 | 0 | 0 | 113.1 | E361 V364 A365 L376 L388 Q393 C394 | E361-L391 HydrophobicContact CB-CD1 3.94Å; E361-L391 HydrophobicContact CG-CB 4.15Å; E361-L391 HydrophobicContact CG-CD1 4.29Å; E361-L391 VanDerWaalsContact O-CD1 3.31Å; E361-L391 WeakPolarHBondContact O-CD1 3.25Å; V364-L391 HydrophobicContact CB-CD1 4.06Å; V364-L391 HydrophobicContact CG1-CD1 3.92Å; A365-L391 HydrophobicContact CB-CD1 4.23Å; L376-L391 HydrophobicContact CD1-CD1 4.45Å; L376-L391 HydrophobicContact CD1-CD2 3.68Å; L376-L391 HydrophobicContact CD1-CG 4.46Å; L388-L391 CarbonylContact O-C 3.45Å; L388-L391 WeakPolarHBondContact O-CA 3.28Å; L388-L391 PolarHBondContact O-N 3.2Å; L391-Q393 PolarHBondContact O-N 3.36Å; L391-C394 WeakPolarHBondContact O-CB 3.18Å; L391-C394 PolarHBondContact O-N 2.96Å | ||
| 392 | S | 92.6 | Very high | 91.5 | Very high | 44 Ų | 44 | 51.7 Ų | 51.7 | 31% | 0.308 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -11.8 | 178.2 | 56.8 | 0 | 0 | 0 | 0 | 114.1 | R386 E389 P390 C394 | R386-S392 PolarHBondContact NE-O 2.68Å; R386-S392 PolarHBondContact NH2-O 3.49Å; E389-S392 WeakPolarHBondContact OE1-CB 3.49Å; P390-S392 PolarHBondContact O-N 2.95Å; S392-C394 VanDerWaalsContact C-N 3.27Å; S392-C394 PolarHBondContact O-N 3.45Å |
| 393 | Q | 93.4 | Very high | 91.5 | Very high | 76 Ų | 76 | 48.3 Ų | 48.3 | 36% | 0.355 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -26.7 | 172 | -64.6 | 172.3 | -29.6 | 0 | 0 | 113.1 | L376 P378 L379 R386 L391 | L376-Q393 HydrophobicContact CB-CB 4.36Å; P378-Q393 HydrophobicContact CG-CG 4.31Å; L379-Q393 PolarHBondContact N-O 3.32Å; R386-Q393 PolarHBondContact NH2-O 2.96Å; L391-Q393 PolarHBondContact O-N 3.36Å |
| 394 | C | 96.1 | Very high | 91.3 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.007 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -74.6 | 164.7 | 175.4 | -58.7 | 0 | 0 | 0 | 0 | 111.5 | G387 L391 S392 F408 A410 | G387-C394 PolarHBondContact N-O 2.88Å; L391-C394 WeakPolarHBondContact O-CB 3.18Å; L391-C394 PolarHBondContact O-N 2.96Å; S392-C394 VanDerWaalsContact C-N 3.27Å; S392-C394 PolarHBondContact O-N 3.45Å; C394-F408 HydrophobicContact CB-CE2 3.55Å; C394-F408 HydrophobicContact CB-CZ 3.76Å; C394-A410 HydrophobicContact CB-CB 4.46Å |
| 395 | L | 97 | Very high | 91.2 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 139.4 | 175.2 | -55.4 | -177.9 | 0 | 0 | 0 | 110.3 | L215 L379 L380 W383 F408 V409 | L215-L395 HydrophobicContact CD1-CD1 3.95Å; L379-L395 HydrophobicContact CB-CD1 3.86Å; L379-L395 HydrophobicContact CB-CD2 4.09Å; L379-L395 HydrophobicContact CB-CG 3.82Å; L379-L395 HydrophobicContact CD1-CD1 4.45Å; L379-L395 HydrophobicContact CD1-CG 4.26Å; L380-L395 HydrophobicContact CB-CD1 4.02Å; L380-L395 HydrophobicContact CD2-CD1 4.47Å; W383-L395 HydrophobicContact CB-CD1 4.46Å; W383-L395 HydrophobicContact CB-CD2 4.08Å; W383-L395 HydrophobicContact CG-CD1 4.29Å; W383-L395 HydrophobicContact CG-CD2 4.19Å; L395-F408 CarbonylContact O-C 3.46Å; L395-F408 WeakPolarHBondContact O-CA 3.25Å; L395-F408 WeakPolarHBondContact O-CD2 3.45Å; L395-V409 HydrophobicContact CB-CB 4.41Å; L395-V409 PolarHBondContact N-O 3.35Å; L395-V409 PolarHBondContact O-N 3.29Å |
| 396 | R | 96.3 | Very high | 91 | Very high | 29 Ų | 29 | 46 Ų | 46 | 11% | 0.109 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 157.6 | 166 | -83.9 | -179.7 | 169.9 | -111.5 | -1.3 | 109.6 | I355 N360 E361 W383 E385 F407 F408 | I355-R396 PolarHBondContact O-NH1 2.99Å; I355-R396 PolarHBondContact O-NH2 3.21Å; N360-R396 PolarHBondContact ND2-NH2 2.93Å; E361-R396 IonicContact OE1-CZ 2.77Å; E361-R396 IonicContact OE1-NE 3.31Å; E361-R396 PolarHBondContact OE1-NE 3.03Å; E361-R396 IonicContact OE1-NH2 3.74Å; E361-R396 PolarHBondContact OE1-NH2 3.47Å; E361-R396 IonicContact OE2-CZ 3.49Å; E361-R396 IonicContact OE2-NE 3.96Å; E361-R396 IonicContact OE2-NH2 3.13Å; E361-R396 PolarHBondContact OE2-NH2 3.29Å; W383-R396 PolarHBondContact NE1-O 3.35Å; E385-R396 WeakPolarHBondContact CB-O 3.4Å; E385-R396 HydrophobicContact CG-CB 3.78Å; E385-R396 PolarHBondContact O-N 3.27Å; R396-F407 CarbonylContact C-O 3.42Å; R396-F407 VanDerWaalsContact CA-O 3.31Å; R396-F407 WeakPolarHBondContact CA-O 3.27Å; R396-F408 HydrophobicContact CG-CD2 3.91Å |
| 397 | A | 93.9 | Very high | 91 | Very high | 7 Ų | 7 | 43 Ų | 43 | 6% | 0.058 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 151.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | A208 W383 T402 T404 G406 F407 | A208-A397 HydrophobicContact CB-CB 3.86Å; W383-A397 HydrophobicContact CZ2-CB 3.87Å; A397-T402 WeakPolarHBondContact CA-OG1 3.45Å; A397-T402 WeakPolarHBondContact CB-OG1 3.32Å; A397-T404 WeakPolarHBondContact CB-OG1 3.47Å; A397-G406 VanDerWaalsContact O-CA 3.26Å; A397-G406 WeakPolarHBondContact O-CA 3.49Å; A397-F407 HydrophobicContact CB-CB 3.73Å; A397-F407 PolarHBondContact N-O 3.02Å; A397-F407 PolarHBondContact O-N 3.06Å |
| 398 | S | 89.4 | Confident | 91.2 | Very high | 17 Ų | 17 | 42.7 Ų | 42.7 | 12% | 0.119 | 23% | 0.227 | C | C | . | . | trans | -152.6 | 161.2 | 179.9 | 65.4 | 0 | 0 | 0 | 0 | 111.6 | E385 T400 K401 T402 L403 T404 | E385-S398 WeakPolarHBondContact OE2-CB 3.42Å; E385-S398 PolarHBondContact OE2-N 3.12Å; E385-S398 PolarHBondContact OE2-OG 3.12Å; S398-T400 PolarHBondContact O-N 3.38Å; S398-K401 WeakPolarHBondContact OG-CB 3.41Å; S398-K401 PolarHBondContact OG-N 2.95Å; S398-K401 VanDerWaalsContact OG-N 3.15Å; S398-T402 PolarHBondContact N-OG1 3.22Å; S398-T402 PolarHBondContact O-N 3.16Å; S398-T402 VanDerWaalsContact O-N 3.16Å; S398-T402 PolarHBondContact O-OG1 3.31Å; S398-L403 PolarHBondContact O-N 3.33Å; S398-T404 CarbonylContact C-O 3.55Å; S398-T404 VanDerWaalsContact C-O 3.26Å; S398-T404 PolarHBondContact O-N 3.11Å | ||
| 399 | T | 84.9 | Confident | 91.5 | Very high | 13 Ų | 13 | 38.7 Ų | 38.7 | 8% | 0.08 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -27.7 | 178.5 | 53.4 | 0 | 0 | 0 | 0 | 112.7 | P125 L129 V308 T404 | P125-T399 HydrophobicContact CB-CG2 3.97Å; L129-T399 HydrophobicContact CD1-CG2 4.25Å; L129-T399 HydrophobicContact CD2-CG2 4.38Å; V308-T399 HydrophobicContact CG2-CG2 3.28Å; T399-T404 WeakPolarHBondContact CA-O 3.44Å; T399-T404 WeakPolarHBondContact CG2-O 3.45Å; T399-T404 PolarHBondContact N-O 3.22Å |
| 400 | T | 82.6 | Confident | 91.9 | Very high | 114 Ų | 114 | 31.5 Ų | 31.5 | 70% | 0.699 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -43.2 | -174.2 | 49.3 | 0 | 0 | 0 | 0 | 112.5 | S398 | S398-T400 PolarHBondContact O-N 3.38Š|
| 401 | K | 86.4 | Confident | 92.3 | Very high | 119 Ų | 119 | 27 Ų | 27 | 52% | 0.517 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -29.9 | -174.4 | -60.5 | -173.9 | -167.2 | 157.4 | 0 | 114.1 | L163 E385 S398 | L163-K401 WeakPolarHBondContact CD2-O 3.31Å; E385-K401 HydrophobicContact CB-CB 4.42Å; E385-K401 HydrophobicContact CB-CD 4.3Å; E385-K401 HydrophobicContact CG-CD 4.19Å; E385-K401 WeakPolarHBondContact OE1-CD 3.44Å; E385-K401 IonicContact OE1-NZ 2.67Å; E385-K401 PolarHBondContact OE1-NZ 2.94Å; E385-K401 VanDerWaalsContact OE1-NZ 3.14Å; S398-K401 WeakPolarHBondContact OG-CB 3.41Å; S398-K401 PolarHBondContact OG-N 2.95Å; S398-K401 VanDerWaalsContact OG-N 3.15Å |
| 402 | T | 89 | Confident | 92.6 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.006 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.5 | -4.9 | -175.5 | 59.7 | 0 | 0 | 0 | 0 | 113.3 | W383 P384 E385 A397 S398 T404 | W383-T402 HydrophobicContact CH2-CG2 4.25Å; W383-T402 HydrophobicContact CZ2-CG2 3.4Å; P384-T402 HydrophobicContact CG-CG2 3.88Å; E385-T402 HydrophobicContact CB-CG2 3.99Å; A397-T402 WeakPolarHBondContact CA-OG1 3.45Å; A397-T402 WeakPolarHBondContact CB-OG1 3.32Å; S398-T402 PolarHBondContact N-OG1 3.22Å; S398-T402 PolarHBondContact O-N 3.16Å; S398-T402 VanDerWaalsContact O-N 3.16Å; S398-T402 PolarHBondContact O-OG1 3.31Å; T402-T404 WeakPolarHBondContact O-CG2 3.49Å; T402-T404 PolarHBondContact O-N 2.86Å; T402-T404 PolarHBondContact OG1-OG1 3.46Å |
| 403 | L | 89.4 | Confident | 92.8 | Very high | 45 Ų | 45 | 26.5 Ų | 26.5 | 24% | 0.236 | 13% | 0.134 | C | C | . | . | S | Bend | trans | 52.3 | 41 | -174.2 | -61.5 | 175.4 | 0 | 0 | 0 | 112.1 | Y132 L163 L166 S398 | Y132-L403 WeakPolarHBondContact CE2-O 3.39Å; Y132-L403 PolarHBondContact OH-O 2.66Å; L163-L403 HydrophobicContact CB-CD1 4.47Å; L166-L403 HydrophobicContact CB-CD1 3.75Å; L166-L403 HydrophobicContact CD1-CB 4.44Å; L166-L403 HydrophobicContact CD1-CD1 3.74Å; L166-L403 HydrophobicContact CG-CD1 4.37Å; S398-L403 PolarHBondContact O-N 3.33Å |
| 404 | T | 89.6 | Confident | 92.9 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -133.3 | 177.9 | 176.8 | 61.5 | 0 | 0 | 0 | 0 | 110.6 | Y132 K207 A208 A397 S398 T399 T402 | Y132-T404 HydrophobicContact CE2-CG2 4.04Å; K207-T404 HydrophobicContact CB-CG2 3.69Å; K207-T404 HydrophobicContact CD-CG2 3.9Å; K207-T404 HydrophobicContact CG-CG2 3.91Å; A208-T404 HydrophobicContact CB-CG2 4.26Å; A397-T404 WeakPolarHBondContact CB-OG1 3.47Å; S398-T404 CarbonylContact C-O 3.55Å; S398-T404 VanDerWaalsContact C-O 3.26Å; S398-T404 PolarHBondContact O-N 3.11Å; T399-T404 WeakPolarHBondContact CA-O 3.44Å; T399-T404 WeakPolarHBondContact CG2-O 3.45Å; T399-T404 PolarHBondContact N-O 3.22Å; T402-T404 WeakPolarHBondContact O-CG2 3.49Å; T402-T404 PolarHBondContact O-N 2.86Å; T402-T404 PolarHBondContact OG1-OG1 3.46Å |
| 405 | H | 88.7 | Confident | 92.6 | Very high | 50 Ų | 50 | 29.8 Ų | 29.8 | 23% | 0.231 | 15% | 0.153 | C | C | . | . | trans | -61.5 | 158.1 | 162.7 | -66.4 | -42 | 0 | 0 | 0 | 112.4 | D206 F407 | D206-H405 IonicContact OD1-CD2 2.99Å; D206-H405 IonicContact OD1-CG 3.44Å; D206-H405 PolarHBondContact OD1-N 3.37Å; H405-F407 PolarHBondContact O-N 3.35Å | ||
| 406 | G | 89.3 | Confident | 91.5 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | trans | -62.4 | 125.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | G306 A397 | G306-G406 WeakPolarHBondContact O-CA 3.39Å; G306-G406 PolarHBondContact O-N 2.94Å; A397-G406 VanDerWaalsContact O-CA 3.26Å; A397-G406 WeakPolarHBondContact O-CA 3.49Å | ||
| 407 | F | 95.3 | Very high | 89.1 | Confident | 13 Ų | 13 | 38.8 Ų | 38.8 | 6% | 0.057 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 155.9 | -172.1 | -149 | -107.9 | 0 | 0 | 0 | 111 | A208 P212 T352 C353 R396 A397 H405 V409 | A208-F407 HydrophobicContact CB-CB 3.59Å; A208-F407 HydrophobicContact CB-CD1 4.05Å; A208-F407 HydrophobicContact CB-CG 3.85Å; A208-F407 WeakPolarHBondContact O-CD1 3.33Å; A208-F407 WeakPolarHBondContact O-CE1 3.35Å; P212-F407 HydrophobicContact CG-CE1 3.68Å; P212-F407 HydrophobicContact CG-CZ 4.14Å; T352-F407 CarbonylContact O-C 3.26Å; T352-F407 WeakPolarHBondContact O-CA 3.43Å; T352-F407 WeakPolarHBondContact O-CD2 3.38Å; T352-F407 WeakPolarHBondContact O-CE2 3.38Å; T352-F407 WeakPolarHBondContact O-CG 3.38Å; C353-F407 HydrophobicContact CB-CD2 4.39Å; C353-F407 HydrophobicContact CB-CE2 4.38Å; R396-F407 CarbonylContact C-O 3.42Å; R396-F407 VanDerWaalsContact CA-O 3.31Å; R396-F407 WeakPolarHBondContact CA-O 3.27Å; A397-F407 HydrophobicContact CB-CB 3.73Å; A397-F407 PolarHBondContact N-O 3.02Å; A397-F407 PolarHBondContact O-N 3.06Å; H405-F407 PolarHBondContact O-N 3.35Å; F407-V409 HydrophobicContact CD1-CG2 3.68Å; F407-V409 HydrophobicContact CE1-CG2 3.71Å |
| 408 | F | 97.6 | Very high | 86.4 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 141.4 | 175 | 176.5 | -102.1 | 0 | 0 | 0 | 110.1 | Y350 S351 T352 N360 E361 V364 C394 L395 R396 A410 | Y350-F408 HydrophobicContact CD1-CD1 4Å; Y350-F408 AromaticContact CD1-CE1 3.76Å; Y350-F408 HydrophobicContact CD1-CE1 3.76Å; Y350-F408 AromaticContact CE1-CD1 3.92Å; Y350-F408 HydrophobicContact CE1-CD1 3.92Å; Y350-F408 AromaticContact CE1-CE1 3.85Å; Y350-F408 HydrophobicContact CE1-CE1 3.85Å; S351-F408 CarbonylContact C-O 3.59Å; S351-F408 WeakPolarHBondContact CA-O 3.37Å; S351-F408 VanDerWaalsContact CB-O 3.28Å; S351-F408 WeakPolarHBondContact CB-O 3.5Å; T352-F408 PolarHBondContact N-O 3.37Å; T352-F408 PolarHBondContact O-N 2.94Å; N360-F408 HydrophobicContact CB-CB 4.24Å; N360-F408 HydrophobicContact CB-CD1 3.72Å; N360-F408 HydrophobicContact CB-CD2 3.78Å; N360-F408 HydrophobicContact CB-CE1 3.91Å; N360-F408 HydrophobicContact CB-CE2 3.96Å; N360-F408 HydrophobicContact CB-CG 3.65Å; N360-F408 HydrophobicContact CB-CZ 4.03Å; N360-F408 VanDerWaalsContact CG-CB 3.47Å; N360-F408 VanDerWaalsContact CG-CG 3.44Å; N360-F408 WeakPolarHBondContact ND2-CB 3.44Å; N360-F408 WeakPolarHBondContact OD1-CB 3.44Å; E361-F408 HydrophobicContact CG-CE2 4.15Å; E361-F408 HydrophobicContact CG-CZ 4.45Å; V364-F408 HydrophobicContact CG2-CE1 3.89Å; V364-F408 HydrophobicContact CG2-CZ 4.13Å; C394-F408 HydrophobicContact CB-CE2 3.55Å; C394-F408 HydrophobicContact CB-CZ 3.76Å; L395-F408 CarbonylContact O-C 3.46Å; L395-F408 WeakPolarHBondContact O-CA 3.25Å; L395-F408 WeakPolarHBondContact O-CD2 3.45Å; R396-F408 HydrophobicContact CG-CD2 3.91Å; F408-A410 HydrophobicContact CE1-CB 3.93Å; F408-A410 HydrophobicContact CZ-CB 4.07Å |
| 409 | V | 98.1 | Very high | 83.9 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.006 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 131.2 | 175.7 | -169.6 | 0 | 0 | 0 | 0 | 110.6 | L211 P212 L215 V349 Y350 L379 L395 F407 | L211-V409 HydrophobicContact CB-CG2 4.13Å; L211-V409 HydrophobicContact CD1-CG2 4.36Å; P212-V409 HydrophobicContact CG-CG2 4.14Å; L215-V409 HydrophobicContact CD1-CG1 3.99Å; V349-V409 HydrophobicContact CG1-CG1 3.57Å; Y350-V409 CarbonylContact O-C 3.47Å; Y350-V409 WeakPolarHBondContact O-CA 3.41Å; L379-V409 HydrophobicContact CD1-CG1 4.33Å; L395-V409 HydrophobicContact CB-CB 4.41Å; L395-V409 PolarHBondContact N-O 3.35Å; L395-V409 PolarHBondContact O-N 3.29Å; F407-V409 HydrophobicContact CD1-CG2 3.68Å; F407-V409 HydrophobicContact CE1-CG2 3.71Å |
| 410 | A | 98.2 | Very high | 81.4 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 139.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | V349 Y350 V364 L376 C394 F408 L412 | V349-A410 CarbonylContact C-O 3.55Å; V349-A410 WeakPolarHBondContact CA-O 3.24Å; Y350-A410 PolarHBondContact N-O 3.32Å; Y350-A410 PolarHBondContact O-N 2.96Å; V364-A410 HydrophobicContact CG1-CB 4.44Å; V364-A410 HydrophobicContact CG2-CB 3.84Å; L376-A410 HydrophobicContact CD2-CB 4.07Å; C394-A410 HydrophobicContact CB-CB 4.46Å; F408-A410 HydrophobicContact CE1-CB 3.93Å; F408-A410 HydrophobicContact CZ-CB 4.07Å; A410-L412 HydrophobicContact CB-CD1 4.36Å |
| 411 | M | 98.1 | Very high | 79.1 | Confident | 15 Ų | 15 | 56.7 Ų | 56.7 | 7% | 0.074 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 122.8 | 174.4 | -173.5 | 168.4 | 76.6 | 0 | 0 | 109.8 | L348 V349 L376 V377 L379 | L348-M411 CarbonylContact O-C 3.26Å; L348-M411 WeakPolarHBondContact O-CA 3.48Å; V349-M411 HydrophobicContact CG2-CB 4.09Å; V349-M411 HydrophobicContact CG2-CG 3.83Å; V349-M411 HydrophobicContact CG2-SD 4.06Å; L376-M411 WeakPolarHBondContact CA-O 3.37Å; V377-M411 HydrophobicContact CB-CE 3.49Å; V377-M411 VanDerWaalsContact CB-CE 3.49Å; V377-M411 HydrophobicContact CG1-CE 3.4Å; V377-M411 HydrophobicContact CG2-CE 3.88Å; V377-M411 PolarHBondContact N-O 3.43Å; L379-M411 HydrophobicContact CD1-CB 3.9Å; L379-M411 HydrophobicContact CD2-CB 3.66Å; L379-M411 HydrophobicContact CD2-CE 3.61Å; L379-M411 HydrophobicContact CD2-CG 4.43Å; L379-M411 HydrophobicContact CD2-SD 4.04Å; L379-M411 HydrophobicContact CG-CB 4.14Å |
| 412 | L | 97.9 | Very high | 76.3 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 136 | 175.7 | -71.6 | 75 | 0 | 0 | 0 | 108.4 | L340 R347 L348 L368 F374 R375 L376 A410 | L340-L412 HydrophobicContact CD1-CD2 4.13Å; L340-L412 HydrophobicContact CD2-CD2 4.37Å; R347-L412 CarbonylContact C-O 3.58Å; R347-L412 WeakPolarHBondContact CA-O 3.38Å; L348-L412 HydrophobicContact CD2-CD1 4.43Å; L348-L412 PolarHBondContact N-O 2.9Å; L348-L412 PolarHBondContact O-N 3.24Å; L368-L412 HydrophobicContact CD2-CD2 3.84Å; L368-L412 HydrophobicContact CD2-CG 4.24Å; L368-L412 HydrophobicContact CG-CD2 4.46Å; F374-L412 HydrophobicContact CB-CD2 4.49Å; F374-L412 HydrophobicContact CD1-CB 4.44Å; R375-L412 WeakPolarHBondContact O-CA 3.32Å; L376-L412 HydrophobicContact CD2-CD1 3.94Å; L376-L412 HydrophobicContact CD2-CG 4.23Å; A410-L412 HydrophobicContact CB-CD1 4.36Å |
| 413 | E | 97 | Very high | 73.5 | Confident | 53 Ų | 53 | 70 Ų | 70 | 25% | 0.248 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 137.3 | 176 | -179.7 | 177.9 | -122.7 | 0 | 0 | 109.4 | K346 R347 F374 R375 V377 V415 | K346-E413 WeakPolarHBondContact O-CA 3.5Å; R347-E413 HydrophobicContact CG-CB 4.12Å; R347-E413 HydrophobicContact CG-CG 3.98Å; F374-E413 WeakPolarHBondContact CA-O 3.37Å; R375-E413 IonicContact CZ-OE2 3.49Å; R375-E413 PolarHBondContact N-O 3.33Å; R375-E413 IonicContact NE-OE2 2.68Å; R375-E413 PolarHBondContact NE-OE2 2.88Å; R375-E413 IonicContact NH2-OE2 3.41Å; R375-E413 PolarHBondContact NH2-OE2 2.95Å; R375-E413 PolarHBondContact O-N 3.07Å; V377-E413 HydrophobicContact CG2-CB 3.48Å; V377-E413 VanDerWaalsContact CG2-CB 3.48Å; V377-E413 HydrophobicContact CG2-CG 4.49Å; E413-V415 PolarHBondContact O-N 3.43Å |
| 414 | K | 95.3 | Very high | 70.5 | Confident | 76 Ų | 76 | 77.3 Ų | 77.3 | 33% | 0.33 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 126.4 | 175.5 | -166.5 | 168.7 | -177.2 | 169.1 | 0 | 109.2 | P343 L345 K346 D373 F374 S416 | P343-K414 PolarHBondContact O-NZ 3.29Å; L345-K414 VanDerWaalsContact O-CD 3.24Å; L345-K414 WeakPolarHBondContact O-CD 3.37Å; K346-K414 PolarHBondContact O-N 3.34Å; D373-K414 CarbonylContact O-C 3.57Å; D373-K414 WeakPolarHBondContact O-CA 3.45Å; F374-K414 HydrophobicContact CD1-CB 4.06Å; F374-K414 HydrophobicContact CE1-CB 3.63Å; F374-K414 HydrophobicContact CE1-CG 4.13Å; F374-K414 HydrophobicContact CZ-CB 4.08Å; F374-K414 HydrophobicContact CZ-CD 4.15Å; F374-K414 HydrophobicContact CZ-CG 4.08Å; K414-S416 PolarHBondContact O-N 3.43Å |
| 415 | V | 91.5 | Very high | 67.7 | Low | 71 Ų | 71 | 83 Ų | 83 | 43% | 0.43 | 43% | 0.428 | S | S | . | . | trans | -71.1 | 95.8 | 173.8 | -175.1 | 0 | 0 | 0 | 0 | 107 | D373 R375 E413 D417 | D373-V415 PolarHBondContact O-N 2.94Å; R375-V415 HydrophobicContact CB-CG2 4Å; R375-V415 HydrophobicContact CG-CG2 3.89Å; E413-V415 PolarHBondContact O-N 3.43Å; V415-D417 PolarHBondContact O-N 3.38Å | ||
| 416 | S | 74.1 | Confident | 64.8 | Low | 85 Ų | 85 | 85.3 Ų | 85.3 | 59% | 0.594 | 46% | 0.456 | S | S | * | . | trans | -63.1 | 133.1 | 168 | 41.3 | 0 | 0 | 0 | 0 | 109.1 | K414 C418 | K414-S416 PolarHBondContact O-N 3.43Å; S416-C418 VanDerWaalsContact C-N 3.28Å; S416-C418 PolarHBondContact O-N 2.96Å; S416-C418 PolarHBondContact O-SG 2.91Å; S416-C418 VanDerWaalsContact O-SG 3.35Å | ||
| 417 | D | 45.8 | Very low | 61.9 | Low | 134 Ų | 134 | 91.6 Ų | 91.6 | 72% | 0.717 | 49% | 0.494 | S | S | * | . | trans | -53.2 | 87.8 | 174 | -116.8 | -1.9 | 0 | 0 | 0 | 110.1 | V415 R419 | V415-D417 PolarHBondContact O-N 3.38Å; D417-R419 PolarHBondContact O-N 3.49Å; D417-R419 IonicContact OD2-NE 3.97Å | ||
| 418 | C | 36.8 | Very low | 58.7 | Low | 91 Ų | 91 | 96.5 Ų | 96.5 | 62% | 0.615 | 53% | 0.527 | S | S | * | . | trans | -79.8 | 60.7 | 174.6 | -68.8 | 0 | 0 | 0 | 0 | 109.1 | S416 G420 | S416-C418 VanDerWaalsContact C-N 3.28Å; S416-C418 PolarHBondContact O-N 2.96Å; S416-C418 PolarHBondContact O-SG 2.91Å; S416-C418 VanDerWaalsContact O-SG 3.35Å; C418-G420 PolarHBondContact O-N 3.06Å | ||
| 419 | R | 35.8 | Very low | 55.4 | Low | 225 Ų | 225 | 103.2 Ų | 103.2 | 85% | 0.849 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | 77.6 | 159.5 | -66.3 | -171.8 | -158.3 | -164.8 | 4.7 | 107.7 | D417 | D417-R419 PolarHBondContact O-N 3.49Å; D417-R419 IonicContact OD2-NE 3.97Å |
| 420 | G | 33.3 | Very low | 51.9 | Low | 71 Ų | 71 | 108.6 Ų | 108.6 | 73% | 0.732 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 170.1 | -6.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | C418 | C418-G420 PolarHBondContact O-N 3.06Š|
| 421 | I | 33.7 | Very low | 48.6 | Very low | 140 Ų | 140 | 117.7 Ų | 117.7 | 72% | 0.718 | 65% | 0.648 | S | S | * | * | trans | -112.5 | 101.3 | 173.1 | -54.9 | 178.6 | 0 | 0 | 0 | 108 | K423 | I421-K423 PolarHBondContact O-N 3.25Š| ||
| 422 | K | 28.6 | Very low | 45.2 | Very low | 197 Ų | 197 | 121.3 Ų | 121.3 | 86% | 0.857 | 68% | 0.68 | S | S | * | * | trans | -53.5 | 109.8 | 170.5 | -66.8 | -176.9 | 177.8 | 179.6 | 0 | 108.2 | K424 | K422-K424 PolarHBondContact O-N 3.4Å; K422-K424 VanDerWaalsContact O-N 3.13Å | ||
| 423 | K | 29 | Very low | 41.7 | Very low | 202 Ų | 202 | 130.6 Ų | 130.6 | 88% | 0.878 | 72% | 0.723 | S | S | * | * | trans | -58.7 | 114 | 164.3 | -78.5 | -178.6 | 175.9 | 178.5 | 0 | 107.2 | I421 | I421-K423 PolarHBondContact O-N 3.25Š| ||
| 424 | K | 27.1 | Very low | 38.3 | Very low | 199 Ų | 199 | 136.3 Ų | 136.3 | 87% | 0.865 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 132 | 160.2 | -80 | -175.6 | 175.1 | -178.3 | 0 | 107.3 | K422 | K422-K424 PolarHBondContact O-N 3.4Å; K422-K424 VanDerWaalsContact O-N 3.13Å |
| 425 | P | 30.6 | Very low | 35.1 | Very low | 118 Ų | 118 | 139.1 Ų | 139.1 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 145.7 | -178.6 | 27.5 | -32.5 | 0 | 0 | 0 | 110.8 | ||
| 426 | A | 28.6 | Very low | 32.2 | Very low | 100 Ų | 100 | 141.1 Ų | 141.1 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 136.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 427 | V | 28.2 | Very low | 30.1 | Very low | 133 Ų | 133 | 143.2 Ų | 143.2 | 81% | 0.806 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 138.3 | 168.3 | -178.4 | 0 | 0 | 0 | 0 | 107.8 | ||
| 428 | P | 28.2 | Very low | 29.2 | Very low | 116 Ų | 116 | 141.3 Ų | 141.3 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 157.8 | -172.2 | -5.6 | 23.9 | 0 | 0 | 0 | 112.8 | ||
| 429 | V | 27.1 | Very low | 29.1 | Very low | 141 Ų | 141 | 143.1 Ų | 143.1 | 86% | 0.855 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 135.8 | 175.7 | 178.6 | 0 | 0 | 0 | 0 | 111.2 | ||
| 430 | S | 25.6 | Very low | 28.8 | Very low | 114 Ų | 114 | 138.4 Ų | 138.4 | 80% | 0.797 | 82% | 0.819 | S | S | * | * | trans | -139.3 | 130.3 | 153.7 | 59.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 431 | E | 27.9 | Very low | 28.4 | Very low | 191 Ų | 191 | 139.9 Ų | 139.9 | 89% | 0.893 | 82% | 0.818 | S | S | * | * | trans | -63.2 | 141 | 175.6 | -67.1 | 168.7 | 137 | 0 | 0 | 112.6 | ||||
| 432 | A | 26.5 | Very low | 28 | Very low | 91 Ų | 91 | 140.8 Ų | 140.8 | 75% | 0.752 | 83% | 0.825 | S | S | * | * | trans | -175.9 | 126.4 | 137.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 433 | E | 24.8 | Very low | 27.9 | Very low | 195 Ų | 195 | 135.8 Ų | 135.8 | 91% | 0.911 | 82% | 0.82 | S | S | * | * | trans | 69.5 | 123.5 | 143.9 | -73.2 | -178 | 144 | 0 | 0 | 124.1 | ||||
| 434 | L | 26.7 | Very low | 27.7 | Very low | 172 Ų | 172 | 135.9 Ų | 135.9 | 90% | 0.901 | 82% | 0.82 | S | S | * | * | trans | -74.9 | 129.8 | 162.5 | -72.5 | 105.6 | 0 | 0 | 0 | 111.6 | ||||
| 435 | V | 28.1 | Very low | 27.8 | Very low | 135 Ų | 135 | 133.6 Ų | 133.6 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -149.2 | 136.1 | 145.8 | -176.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 436 | P | 29.8 | Very low | 27.7 | Very low | 113 Ų | 113 | 134.1 Ų | 134.1 | 73% | 0.734 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 161.7 | -172.9 | 37.1 | -34 | 0 | 0 | 0 | 112.6 | ||
| 437 | P | 29.9 | Very low | 27.4 | Very low | 129 Ų | 129 | 137.8 Ų | 137.8 | 84% | 0.838 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 129.3 | 161 | 33 | -24.2 | 0 | 0 | 0 | 111.3 | ||
| 438 | A | 27.5 | Very low | 27.3 | Very low | 94 Ų | 94 | 135.5 Ų | 135.5 | 78% | 0.777 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 172.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 439 | P | 33.8 | Very low | 27.1 | Very low | 130 Ų | 130 | 137 Ų | 137 | 84% | 0.844 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 163.4 | -143.6 | 37.3 | -37.6 | 0 | 0 | 0 | 114.6 | ||
| 440 | S | 29 | Very low | 27.1 | Very low | 125 Ų | 125 | 139 Ų | 139 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | trans | -135.8 | 145.4 | 158.3 | 60.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 441 | S | 26.8 | Very low | 27.1 | Very low | 103 Ų | 103 | 142.9 Ų | 142.9 | 72% | 0.72 | 83% | 0.827 | S | S | * | * | trans | -94 | 157.6 | -160 | 47.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 442 | D | 25.3 | Very low | 27 | Very low | 159 Ų | 159 | 141.3 Ų | 141.3 | 85% | 0.85 | 83% | 0.825 | S | S | * | * | trans | 40.6 | 120.5 | 142.7 | -64 | -33.3 | 0 | 0 | 0 | 120.5 | ||||
| 443 | A | 25.7 | Very low | 26.9 | Very low | 92 Ų | 92 | 142.7 Ų | 142.7 | 76% | 0.76 | 83% | 0.829 | S | S | * | * | 177.8 | 120.7 | 106.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 444 | K | 25.6 | Very low | 26.9 | Very low | 203 Ų | 203 | 141.3 Ų | 141.3 | 88% | 0.883 | 83% | 0.828 | S | S | * | * | trans | 61.7 | 122.1 | 130.3 | -68.9 | -178.4 | 176.8 | 179.2 | 0 | 122.9 | ||||
| 445 | I | 29.1 | Very low | 26.7 | Very low | 151 Ų | 151 | 136 Ų | 136 | 77% | 0.774 | 82% | 0.815 | S | S | * | * | trans | -45.8 | 153.4 | 149.6 | -57.9 | 155.3 | 0 | 0 | 0 | 112.1 | ||||
| 446 | P | 26.8 | Very low | 26.5 | Very low | 129 Ų | 129 | 134.8 Ų | 134.8 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | -130.9 | 147.2 | 124.8 | 34.6 | -23.3 | 0 | 0 | 0 | 114 | |||||
| 447 | E | 23 | Very low | 26.3 | Very low | 178 Ų | 178 | 137.1 Ų | 137.1 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | trans | -90.1 | 153.6 | 177.7 | -142.8 | 173.2 | -178.6 | 0 | 0 | 110.5 | ||||
| 448 | A | 26 | Very low | 26.1 | Very low | 85 Ų | 85 | 136 Ų | 136 | 70% | 0.702 | 82% | 0.82 | S | S | * | * | trans | 50.3 | 128.8 | 147.3 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 449 | T | 24.6 | Very low | 26 | Very low | 146 Ų | 146 | 140 Ų | 140 | 90% | 0.896 | 82% | 0.823 | S | S | * | * | trans | -139.9 | 117.6 | 131.7 | 26.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 450 | E | 26.4 | Very low | 25.6 | Very low | 183 Ų | 183 | 141.5 Ų | 141.5 | 86% | 0.855 | 82% | 0.818 | S | S | * | * | trans | -82.4 | 139.7 | 162 | -67.8 | -178.1 | 151 | 0 | 0 | 108.4 | ||||
| 451 | E | 25.7 | Very low | 25.4 | Very low | 197 Ų | 197 | 142 Ų | 142 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | trans | -132.1 | 131.9 | 152.4 | -83.2 | -166.2 | 162 | 0 | 0 | 110.5 | ||||
| 452 | N | 25.9 | Very low | 25.2 | Very low | 157 Ų | 157 | 145.2 Ų | 145.2 | 84% | 0.84 | 82% | 0.817 | S | S | * | * | trans | -50.7 | 151.6 | -176.4 | -64.2 | -45.7 | 0 | 0 | 0 | 116.8 | ||||
| 453 | S | 24.5 | Very low | 25.2 | Very low | 121 Ų | 121 | 142.3 Ų | 142.3 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | -158.7 | 128.4 | 121.5 | 48.3 | 0 | 0 | 0 | 0 | 112 | |||||
| 454 | D | 23.8 | Very low | 25.1 | Very low | 166 Ų | 166 | 143.2 Ų | 143.2 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | trans | -44.8 | 158.2 | 158.9 | -68.7 | -49.4 | 0 | 0 | 0 | 111.9 | ||||
| 455 | G | 23.2 | Very low | 25.1 | Very low | 61 Ų | 61 | 138.6 Ų | 138.6 | 63% | 0.629 | 81% | 0.805 | S | S | * | * | cis | 140.7 | 143.1 | 19.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 456 | S | 24.7 | Very low | 24.9 | Very low | 108 Ų | 108 | 138.4 Ų | 138.4 | 76% | 0.755 | 81% | 0.811 | S | S | * | * | trans | 71.7 | 120.2 | 159.2 | 60.3 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 457 | D | 25 | Very low | 24.8 | Very low | 162 Ų | 162 | 135.8 Ų | 135.8 | 87% | 0.866 | 81% | 0.807 | S | S | * | * | 65.9 | 120 | 123.1 | -55.1 | -24.4 | 0 | 0 | 0 | 122.4 | |||||
| 458 | A | 25.3 | Very low | 25.1 | Very low | 105 Ų | 105 | 135.8 Ų | 135.8 | 87% | 0.868 | 81% | 0.807 | S | S | * | * | trans | -159 | 121.7 | 132.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 459 | E | 25.7 | Very low | 25.1 | Very low | 178 Ų | 178 | 139.3 Ų | 139.3 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | trans | -70.9 | 159.7 | 168.5 | -73.2 | -176.9 | 131.8 | 0 | 0 | 113.2 | ||||
| 460 | E | 25.9 | Very low | 25.3 | Very low | 162 Ų | 162 | 139.2 Ų | 139.2 | 76% | 0.757 | 81% | 0.807 | S | S | * | * | trans | 83.8 | 132.5 | 135.6 | -94.6 | -168.9 | 165.8 | 0 | 0 | 124.7 | ||||
| 461 | M | 23.7 | Very low | 25.6 | Very low | 135 Ų | 135 | 136.7 Ų | 136.7 | 67% | 0.665 | 80% | 0.799 | S | S | * | * | trans | 71.4 | 113.5 | 147.8 | -67.1 | -162.4 | 82.1 | 0 | 0 | 120.7 | ||||
| 462 | L | 24.1 | Very low | 25.7 | Very low | 171 Ų | 171 | 132.6 Ų | 132.6 | 90% | 0.895 | 79% | 0.792 | S | S | * | * | -162.9 | 136.1 | 108.9 | -104.5 | 149.6 | 0 | 0 | 0 | 113 | |||||
| 463 | T | 24.5 | Very low | 26.1 | Very low | 99 Ų | 99 | 130 Ų | 130 | 61% | 0.607 | 79% | 0.787 | S | S | * | * | trans | -84.5 | 155.9 | -175.2 | 45.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 464 | S | 24.4 | Very low | 26.6 | Very low | 111 Ų | 111 | 130 Ų | 130 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | trans | 59 | 116.3 | 141.9 | 65.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 465 | A | 24.7 | Very low | 27.1 | Very low | 105 Ų | 105 | 130.7 Ų | 130.7 | 87% | 0.868 | 77% | 0.772 | S | S | * | * | trans | -148.5 | 114.7 | 133.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 466 | V | 26 | Very low | 27.6 | Very low | 147 Ų | 147 | 136.8 Ų | 136.8 | 89% | 0.891 | 78% | 0.781 | S | S | * | * | trans | -76.2 | 139.5 | 165.9 | 170.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 467 | G | 24.6 | Very low | 28.2 | Very low | 74 Ų | 74 | 141.9 Ų | 141.9 | 76% | 0.763 | 78% | 0.784 | S | S | * | * | trans | -176.8 | 107.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 468 | E | 27.9 | Very low | 28.8 | Very low | 178 Ų | 178 | 142.9 Ų | 142.9 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | -59.9 | 157.6 | -176.4 | -57.4 | 171 | 132.9 | 0 | 0 | 114.2 | ||||
| 469 | I | 27.6 | Very low | 29.3 | Very low | 160 Ų | 160 | 148.2 Ų | 148.2 | 82% | 0.821 | 78% | 0.778 | S | S | * | * | trans | -172.4 | 112.7 | 132.2 | -87 | 147 | 0 | 0 | 0 | 110.8 | ||||
| 470 | N | 28.2 | Very low | 29.9 | Very low | 143 Ų | 143 | 148.4 Ų | 148.4 | 77% | 0.765 | 78% | 0.776 | S | S | * | * | trans | 39.8 | 118.4 | 146.4 | -67.2 | -28.1 | 0 | 0 | 0 | 122.4 | ||||
| 471 | D | 31.8 | Very low | 30.5 | Very low | 130 Ų | 130 | 151.4 Ų | 151.4 | 70% | 0.695 | 78% | 0.781 | S | S | * | * | 64.6 | 86.5 | 74.3 | -162.6 | 25.3 | 0 | 0 | 0 | 115.1 | |||||
| 472 | S | 28 | Very low | 31.2 | Very low | 112 Ų | 112 | 153.7 Ų | 153.7 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | trans | -147.2 | -2.2 | 166 | 67 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 473 | S | 35.7 | Very low | 31.9 | Very low | 103 Ų | 103 | 156.1 Ų | 156.1 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -96.1 | -14 | -172.3 | 58.8 | 0 | 0 | 0 | 0 | 114.7 | ||
| 474 | N | 33.6 | Very low | 32.7 | Very low | 120 Ų | 120 | 160.4 Ų | 160.4 | 64% | 0.642 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -95.6 | -6.1 | -170.3 | -126.4 | -11.5 | 0 | 0 | 0 | 115.9 | ||
| 475 | K | 33.8 | Very low | 33.4 | Very low | 181 Ų | 181 | 164.1 Ų | 164.1 | 79% | 0.787 | 80% | 0.797 | S | S | * | * | H | α-helix | trans | -85.8 | -16.9 | 177.9 | -91.6 | 173.6 | 179.1 | 164.2 | 0 | 115.2 | ||
| 476 | K | 34.9 | Very low | 34.2 | Very low | 189 Ų | 189 | 167.9 Ų | 167.9 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | H | α-helix | trans | -84.7 | -22.5 | 180 | -84.2 | 178.6 | 178.1 | 171.5 | 0 | 114.4 | ||
| 477 | R | 37.6 | Very low | 35 | Very low | 215 Ų | 215 | 170.5 Ų | 170.5 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | H | α-helix | trans | -81.5 | -24.7 | 179.1 | -85.4 | 179.1 | 161.7 | 178.5 | -4.8 | 114.3 | ||
| 478 | K | 36 | Very low | 36 | Very low | 183 Ų | 183 | 171.3 Ų | 171.3 | 80% | 0.796 | 79% | 0.792 | S | S | * | * | H | α-helix | trans | -82.2 | -17.5 | 176.1 | -90.6 | 177.8 | 174.9 | 173.8 | 0 | 114.8 | ||
| 479 | R | 37.2 | Very low | 36.8 | Very low | 216 Ų | 216 | 168.4 Ų | 168.4 | 82% | 0.815 | 79% | 0.787 | S | S | * | * | H | α-helix | trans | -85.1 | -17.9 | 178.7 | -90.4 | -179.7 | 165.7 | 177.7 | -3.9 | 115.4 | ||
| 480 | K | 37.3 | Very low | 37.6 | Very low | 182 Ų | 182 | 170.8 Ų | 170.8 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | H | α-helix | trans | -85.6 | -20.6 | 175.9 | -96.1 | -178.9 | 175.4 | 178.6 | 0 | 114.5 | ||
| 481 | R | 38.7 | Very low | 38.6 | Very low | 225 Ų | 225 | 168.8 Ų | 168.8 | 85% | 0.849 | 80% | 0.795 | S | S | * | * | H | α-helix | trans | -81.6 | -21.2 | 178.3 | -96 | 178 | 159 | 179.1 | -6.5 | 114.5 | ||
| 482 | K | 39 | Very low | 39.1 | Very low | 184 Ų | 184 | 175.5 Ų | 175.5 | 80% | 0.8 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -84.6 | -9.4 | 175.4 | -95 | -176.9 | 174.2 | -178.3 | 0 | 115 | ||
| 483 | R | 38.6 | Very low | 39.7 | Very low | 221 Ų | 221 | 178.7 Ų | 178.7 | 83% | 0.834 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -97.7 | -9.8 | -178.1 | -124.7 | 174.1 | 168 | -174.1 | -4.9 | 114.7 | ||
| 484 | K | 40.9 | Very low | 39.9 | Very low | 190 Ų | 190 | 182.6 Ų | 182.6 | 83% | 0.826 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -93.3 | -9.5 | 174.2 | -105.2 | -175.8 | 174.9 | -173.8 | 0 | 114.3 | ||
| 485 | K | 40 | Very low | 40.3 | Very low | 189 Ų | 189 | 186.1 Ų | 186.1 | 82% | 0.822 | 84% | 0.839 | S | S | * | * | S | Bend | trans | -99.5 | 7.6 | 180 | -134.7 | 179.3 | -177.1 | -174.8 | 0 | 114.3 | ||
| 486 | K | 41.4 | Very low | 40.6 | Very low | 183 Ų | 183 | 186.4 Ų | 186.4 | 80% | 0.796 | 84% | 0.843 | S | S | * | * | S | Bend | trans | -119.4 | 12.8 | -179.4 | -107 | -172.2 | 178.3 | -171.3 | 0 | 114.5 | ||
| 487 | K | 41.4 | Very low | 41 | Very low | 202 Ų | 202 | 186.3 Ų | 186.3 | 88% | 0.878 | 84% | 0.844 | S | S | * | * | S | Bend | trans | -122.3 | 9.8 | 176.2 | -103.8 | -170.3 | 176.4 | -168.9 | 0 | 114.1 | ||
| 488 | A | 45.6 | Very low | 41.2 | Very low | 91 Ų | 91 | 184.3 Ų | 184.3 | 75% | 0.752 | 85% | 0.846 | S | S | * | * | S | Bend | trans | -113.8 | 16.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 489 | T | 45.1 | Very low | 41.6 | Very low | 117 Ų | 117 | 184.4 Ų | 184.4 | 72% | 0.718 | 85% | 0.85 | S | S | * | * | S | Bend | trans | -136.2 | 72.9 | 174.7 | 46.5 | 0 | 0 | 0 | 0 | 107.7 | ||
| 490 | K | 44.6 | Very low | 41.9 | Very low | 210 Ų | 210 | 182 Ų | 182 | 91% | 0.913 | 85% | 0.852 | S | S | * | * | trans | -178.1 | 73.8 | 162.3 | -106.8 | -172.6 | 178.5 | -168.2 | 0 | 107.4 | ||||
| 491 | A | 50.1 | Low | 42.3 | Very low | 101 Ų | 101 | 182 Ų | 182 | 84% | 0.835 | 86% | 0.857 | S | S | * | * | trans | -168.6 | 67.7 | 161.9 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 492 | E | 42.5 | Very low | 42.7 | Very low | 271 Ų | 271 | 178.1 Ų | 178.1 | 100% | 1.266 | 86% | 0.858 | S | S | * | * | trans | -100.2 | 0 | 142.9 | -90.9 | -179.3 | 156.5 | 0 | 0 | 105.9 |
Retrieved 492 of 492 residues in 1050.7 ms
(Link to these results)